#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woi n PRO 4 N 0.00 2.35 -4.50 1.61 -0.04 -1.26 -5.00 135.00 128.16 1woi n PRO 4 Ca 0.00 0.82 -0.29 0.00 -0.04 0.00 0.00 63.50 63.99 1woi n PRO 4 Cb 0.00 -2.48 -0.13 0.00 -0.04 0.00 0.00 33.50 30.85 1woi n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1woi s ALA 5 N -1.11 2.42 0.78 0.55 0.00 -1.26 -5.12 121.76 118.02 1woi s ALA 5 Ca 0.55 -1.39 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 1woi s ALA 5 Cb -0.53 -0.46 0.07 0.00 0.00 0.00 0.00 23.12 22.20 1woi s ALA 5 CO 0.63 0.55 1.20 -1.01 0.00 0.00 0.00 175.76 177.13 1woi s HIS 6 N -1.01 1.89 0.62 0.00 3.76 -1.26 -5.03 115.29 114.26 1woi s HIS 6 Ca 0.14 1.65 -0.02 0.00 -0.15 0.00 0.00 55.06 56.68 1woi s HIS 6 Cb -0.10 -3.47 0.05 0.00 1.11 0.00 0.00 32.58 30.17 1woi s HIS 6 CO 0.06 -2.76 0.89 -0.51 -0.85 0.00 0.00 174.74 171.57 1woi s LEU 7 N -5.55 3.07 0.48 0.89 2.01 -1.26 -4.93 118.68 113.38 1woi s LEU 7 Ca 0.73 0.16 0.20 0.00 0.01 0.00 0.00 54.13 55.23 1woi s LEU 7 Cb -0.28 -2.92 1.21 0.00 0.01 0.00 0.00 46.19 44.21 1woi s LEU 7 CO 0.49 -1.37 1.96 -0.65 1.01 0.00 0.00 176.35 177.79 1woi h PRO 8 N -0.24 0.21 -0.20 1.29 0.11 -1.96 -0.64 132.00 130.57 1woi h PRO 8 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1woi h PRO 8 Cb 1.30 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1woi h PRO 8 CO 0.55 0.14 0.00 2.48 -0.21 0.00 0.00 178.00 180.96 1woi n TYR 9 N -4.43 0.26 -4.22 0.65 4.11 -1.26 -4.89 117.16 107.39 1woi n TYR 9 Ca 0.12 -0.13 -0.30 0.00 -0.00 0.00 0.00 57.90 57.59 1woi n TYR 9 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.79 1woi n TYR 9 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1woi s GLY 10 N -1.31 1.81 0.00 -7.48 0.00 -0.25 -5.05 107.32 95.04 1woi s GLY 10 Ca 0.25 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1woi s GLY 10 CO 0.19 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.70 1woi n GLY 11 N 0.69 -1.20 3.69 0.20 0.00 -1.26 -4.64 105.19 102.67 1woi n GLY 11 Ca -0.13 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1woi n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woi s ILE 12 N -1.74 4.56 -0.56 -0.61 -1.09 -1.26 -4.98 121.20 115.53 1woi s ILE 12 Ca 0.00 1.85 -0.27 0.00 -2.23 0.00 0.00 60.65 60.00 1woi s ILE 12 Cb 0.00 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.68 1woi s ILE 12 CO 0.00 0.02 1.67 -2.16 -1.23 0.00 0.00 174.94 173.25 1woi s PRO 13 N 1.95 2.99 0.17 2.79 0.04 -1.26 -4.93 135.00 136.75 1woi s PRO 13 Ca 0.52 0.65 0.11 0.00 0.04 0.00 0.00 61.00 62.32 1woi s PRO 13 Cb -0.21 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.02 1woi s PRO 13 CO 0.21 -2.30 -0.25 0.95 0.04 0.00 0.00 177.00 175.65 1woi s THR 14 N 7.55 2.35 0.12 1.26 -4.23 -1.26 -4.75 115.64 116.68 1woi s THR 14 Ca 0.63 -1.93 -0.32 0.00 -1.18 0.00 0.00 61.69 58.89 1woi s THR 14 Cb -0.13 -2.10 -0.11 0.00 1.34 0.00 0.00 72.50 71.50 1woi s THR 14 CO 0.24 -0.05 1.82 0.33 -0.54 0.00 0.00 174.62 176.42 1woi n PHE 15 N 0.47 2.61 -1.70 3.99 7.35 -1.26 -0.13 117.46 128.79 1woi n PHE 15 Ca -0.14 -0.11 -0.21 0.00 -0.76 0.00 0.00 57.45 56.23 1woi n PHE 15 Cb 0.55 -2.72 -0.08 0.00 0.35 0.00 0.00 39.48 37.58 1woi n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1woi n ALA 16 N 5.45 -0.35 -3.04 3.13 0.00 -1.26 -1.17 120.51 123.26 1woi n ALA 16 Ca 0.18 0.32 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 1woi n ALA 16 Cb 0.36 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.75 1woi n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1woi n ARG 17 N -2.46 -4.03 -1.86 0.00 0.63 0.81 -4.64 116.66 105.10 1woi n ARG 17 Ca -0.21 0.76 -0.31 0.00 -0.92 0.00 0.00 57.85 57.17 1woi n ARG 17 Cb 0.69 -5.54 0.01 0.00 0.45 0.00 0.00 32.46 28.07 1woi n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woi s ALA 18 N -3.05 3.03 0.51 5.13 0.00 -0.32 -4.93 121.76 122.13 1woi s ALA 18 Ca 0.29 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.98 1woi s ALA 18 Cb -0.14 -3.10 -0.06 0.00 0.00 0.00 0.00 23.12 19.82 1woi s ALA 18 CO 0.36 -0.74 1.31 -1.25 0.00 0.00 0.00 175.76 175.43 1woi s PRO 19 N -5.09 3.41 0.04 0.00 0.04 -1.26 -4.62 135.00 127.52 1woi s PRO 19 Ca 0.56 2.12 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 1woi s PRO 19 Cb -0.11 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 1woi s PRO 19 CO 0.53 -0.94 0.80 -1.17 0.04 0.00 0.00 177.00 176.25 1woi s LEU 20 N -3.25 4.44 0.21 -3.56 2.96 -1.26 -1.72 118.68 116.50 1woi s LEU 20 Ca 0.68 1.49 -0.00 0.00 -0.22 0.00 0.00 54.13 56.07 1woi s LEU 20 Cb -0.37 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1woi s LEU 20 CO 0.45 -0.02 0.14 0.68 -1.32 0.00 0.00 176.35 176.28 1woi s VAL 21 N 0.08 0.00 -0.05 1.68 -7.23 -0.03 -4.92 120.40 109.93 1woi s VAL 21 Ca 0.40 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.53 1woi s VAL 21 Cb -0.21 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 1woi s VAL 21 CO 0.24 0.00 0.16 -1.10 -0.31 0.00 0.00 175.10 174.09 1woi s GLN 22 N -4.10 3.41 0.31 4.82 -1.52 -1.26 -4.03 119.66 117.29 1woi s GLN 22 Ca 0.39 -0.26 0.06 0.00 -1.95 0.00 0.00 55.36 53.61 1woi s GLN 22 Cb 0.07 -3.12 0.75 0.00 -0.22 0.00 0.00 33.01 30.49 1woi s GLN 22 CO 0.13 0.72 1.78 -1.35 -0.25 0.00 0.00 175.29 176.32 1woi h PRO 23 N 4.31 0.74 -0.63 2.91 0.11 -1.95 -0.57 132.00 136.92 1woi h PRO 23 Ca -0.51 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.31 1woi h PRO 23 Cb 1.20 -0.17 -0.14 0.00 0.11 0.00 0.00 31.00 32.00 1woi h PRO 23 CO 0.64 0.49 0.23 -0.40 -0.21 0.00 0.00 178.00 178.74 1woi n ASP 24 N -4.75 3.87 -4.68 -2.05 5.75 -1.26 -4.10 116.55 109.32 1woi n ASP 24 Ca 0.23 -3.42 -0.24 0.00 -0.01 0.00 0.00 54.79 51.35 1woi n ASP 24 Cb 0.57 -0.71 0.10 0.00 -1.03 0.00 0.00 41.12 40.06 1woi n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1woi s GLY 25 N -1.61 1.76 -1.14 6.12 0.00 -0.22 -5.00 107.32 107.22 1woi s GLY 25 Ca 0.51 -1.49 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 1woi s GLY 25 CO 0.09 -0.96 1.37 -0.35 0.00 0.00 0.00 173.10 173.26 1woi s ASP 26 N -4.68 6.94 0.17 1.64 2.15 -1.26 -4.94 116.67 116.69 1woi s ASP 26 Ca 0.65 -2.71 -0.10 0.00 0.43 0.00 0.00 52.55 50.82 1woi s ASP 26 Cb -0.07 -2.41 -0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1woi s ASP 26 CO 0.45 -0.86 0.32 -1.66 -0.17 0.00 0.00 175.17 173.24 1woi s TRP 27 N 2.04 0.32 -0.21 -5.34 1.48 -1.26 -5.11 118.94 110.86 1woi s TRP 27 Ca 0.41 -0.68 -0.13 0.00 -1.06 0.00 0.00 56.10 54.63 1woi s TRP 27 Cb -0.03 0.01 0.06 0.00 -1.16 0.00 0.00 33.47 32.35 1woi s TRP 27 CO -0.02 -0.74 0.52 -0.65 -4.06 0.00 0.00 176.95 172.00 1woi s GLN 28 N -3.95 0.54 0.13 3.25 -0.21 -1.26 -4.83 119.66 113.33 1woi s GLN 28 Ca 0.16 0.92 -0.10 0.00 0.02 0.00 0.00 55.36 56.36 1woi s GLN 28 Cb 0.03 0.09 -0.00 0.00 1.00 0.00 0.00 33.01 34.13 1woi s GLN 28 CO -0.01 -0.14 0.27 0.00 -2.12 0.00 0.00 175.29 173.29 1woi s ALA 29 N 1.25 -0.20 0.21 6.09 0.00 -0.83 -5.01 121.76 123.28 1woi s ALA 29 Ca -0.08 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1woi s ALA 29 Cb -0.06 0.70 0.18 0.00 0.00 0.00 0.00 23.12 23.93 1woi s ALA 29 CO -0.12 -0.60 1.52 -0.44 0.00 0.00 0.00 175.76 176.12 1woi h ASP 30 N 2.59 0.42 -3.82 0.00 3.32 -1.67 -3.12 116.42 114.15 1woi h ASP 30 Ca -0.33 -0.24 -0.44 0.00 0.02 0.00 0.00 57.03 56.05 1woi h ASP 30 Cb 1.22 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.34 1woi h ASP 30 CO 0.51 0.93 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.47 1woi s VAL 31 N -3.82 0.82 -0.04 -1.35 1.01 -0.54 -1.17 120.40 115.31 1woi s VAL 31 Ca -0.05 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1woi s VAL 31 Cb 0.11 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.79 1woi s VAL 31 CO 0.82 0.25 -0.03 0.00 0.00 0.00 0.00 175.10 176.14 1woi s ALA 32 N 0.17 0.55 -0.10 5.51 0.00 -1.11 -1.10 121.76 125.69 1woi s ALA 32 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 1woi s ALA 32 Cb -0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1woi s ALA 32 CO 0.01 -0.01 0.18 0.00 0.00 0.00 0.00 175.76 175.94 1woi s ALA 33 N 0.84 3.86 -0.04 0.00 0.00 -0.09 -0.06 121.76 126.26 1woi s ALA 33 Ca -0.10 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.27 1woi s ALA 33 Cb -0.13 -2.03 0.03 0.00 0.00 0.00 0.00 23.12 20.99 1woi s ALA 33 CO -0.00 0.61 0.00 -1.17 0.00 0.00 0.00 175.76 175.20 1woi s LEU 34 N -1.09 0.91 0.02 0.00 2.96 0.30 -0.96 118.68 120.82 1woi s LEU 34 Ca 0.17 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 1woi s LEU 34 Cb -0.13 -0.28 -0.05 0.00 0.50 0.00 0.00 46.19 46.23 1woi s LEU 34 CO 0.06 -0.14 0.30 -0.83 -1.32 0.00 0.00 176.35 174.42 1woi s GLY 35 N 1.38 2.27 -0.55 7.98 0.00 -0.29 -0.50 107.32 117.62 1woi s GLY 35 Ca -0.05 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.19 1woi s GLY 35 CO -0.02 -0.33 0.41 0.14 0.00 0.00 0.00 173.10 173.29 1woi s VAL 36 N -1.31 1.52 -1.03 1.40 1.01 0.12 -1.10 120.40 121.02 1woi s VAL 36 Ca 0.28 -3.39 -0.10 0.00 0.00 0.00 0.00 61.98 58.77 1woi s VAL 36 Cb -0.13 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.15 1woi s VAL 36 CO 0.16 -1.12 2.20 -0.81 0.00 0.00 0.00 175.10 175.53 1woi n PRO 37 N 2.46 2.25 -4.18 2.72 -0.04 -1.26 -3.04 135.00 133.92 1woi n PRO 37 Ca 0.25 -1.72 -0.33 0.00 -0.04 0.00 0.00 63.50 61.65 1woi n PRO 37 Cb 0.42 -2.66 -0.16 0.00 -0.04 0.00 0.00 33.50 31.06 1woi n PRO 37 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1woi s PHE 38 N 3.54 2.80 -0.00 0.54 5.36 -1.26 -4.69 117.98 124.27 1woi s PHE 38 Ca 0.48 -1.46 0.00 0.00 -0.96 0.00 0.00 56.93 54.99 1woi s PHE 38 Cb 0.12 -1.93 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 1woi s PHE 38 CO -0.01 -0.72 0.96 -0.40 -1.46 0.00 0.00 175.22 173.59 1woi n ASP 39 N 4.55 0.02 -0.10 6.13 5.68 -1.26 -0.03 116.55 131.53 1woi n ASP 39 Ca -0.20 -1.93 0.15 0.00 -0.50 0.00 0.00 54.79 52.31 1woi n ASP 39 Cb 0.50 -0.19 0.76 0.00 -1.14 0.00 0.00 41.12 41.06 1woi n ASP 39 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1woi n ILE 40 N -0.01 0.00 0.12 2.12 -5.35 -1.26 -3.61 119.36 111.37 1woi n ILE 40 Ca 0.00 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.54 1woi n ILE 40 Cb 0.68 -0.24 -0.02 0.00 -1.74 0.00 0.00 39.64 38.32 1woi n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1woi n ALA 41 N -0.87 2.61 -1.46 -1.28 0.00 -1.26 -4.94 120.51 113.31 1woi n ALA 41 Ca 0.19 -0.28 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 1woi n ALA 41 Cb 0.22 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.67 1woi n ALA 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1woi s LEU 42 N -5.15 3.32 -0.08 0.00 0.05 -1.24 -3.41 118.68 112.18 1woi s LEU 42 Ca -0.01 1.98 0.17 0.00 0.05 0.00 0.00 54.13 56.33 1woi s LEU 42 Cb 0.10 -4.55 0.60 0.00 -2.05 0.00 0.00 46.19 40.30 1woi s LEU 42 CO 0.81 -1.74 1.51 0.61 -0.55 0.00 0.00 176.35 176.99 1woi n GLY 43 N -0.60 2.86 0.00 -3.48 0.00 -1.26 -4.93 105.19 97.77 1woi n GLY 43 Ca 0.10 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1woi n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1woi n PHE 44 N 0.92 0.00 -3.44 1.61 -0.00 -1.26 -5.10 117.46 110.19 1woi n PHE 44 Ca 0.22 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.27 1woi n PHE 44 Cb 0.75 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 40.13 1woi n PHE 44 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1woi s ARG 45 N 1.32 3.55 0.98 -4.13 0.52 -1.26 -5.08 118.95 114.84 1woi s ARG 45 Ca 0.00 -0.48 -0.13 0.00 -0.52 0.00 0.00 55.73 54.60 1woi s ARG 45 Cb 0.00 -3.80 0.18 0.00 0.52 0.00 0.00 34.95 31.84 1woi s ARG 45 CO 0.00 -0.50 1.13 -1.25 0.02 0.00 0.00 175.30 174.70 1woi s PRO 46 N 1.93 0.59 0.00 3.54 0.04 -1.26 -4.42 135.00 135.41 1woi s PRO 46 Ca 0.10 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1woi s PRO 46 Cb -0.17 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1woi s PRO 46 CO 0.11 -2.57 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1woi n GLY 47 N -1.79 1.05 0.26 0.56 0.00 -1.26 -4.95 105.19 99.05 1woi n GLY 47 Ca 0.07 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1woi n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1woi h ALA 48 N 0.00 1.03 0.00 4.61 0.00 -1.86 -0.81 119.26 122.23 1woi h ALA 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1woi h ALA 48 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1woi h ALA 48 CO 0.00 -0.03 0.00 0.07 0.00 0.00 0.00 179.25 179.29 1woi h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.83 -0.94 114.38 111.71 1woi h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woi h ARG 49 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1woi h ARG 49 CO 0.00 0.00 -0.56 1.19 0.10 0.00 0.00 179.97 180.70 1woi n PHE 50 N -2.44 0.00 -0.28 4.08 3.72 -0.31 -4.49 117.46 117.74 1woi n PHE 50 Ca 0.01 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1woi n PHE 50 Cb 0.19 -0.07 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 1woi n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1woi h ALA 51 N 3.46 0.97 -0.32 4.37 0.00 -1.41 -1.87 119.26 124.46 1woi h ALA 51 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.82 1woi h ALA 51 Cb 0.59 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1woi h ALA 51 CO 0.00 0.50 0.10 -1.35 0.00 0.00 0.00 179.25 178.50 1woi h PRO 52 N 1.05 0.22 -0.61 0.00 0.11 -1.76 0.39 132.00 131.41 1woi h PRO 52 Ca 0.26 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 1woi h PRO 52 Cb 0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1woi h PRO 52 CO -0.04 0.15 0.25 -0.09 -0.21 0.00 0.00 178.00 178.06 1woi h ARG 53 N 0.23 0.90 -0.71 1.05 2.43 -1.84 -0.61 114.38 115.83 1woi h ARG 53 Ca 0.15 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1woi h ARG 53 Cb 0.13 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 1woi h ARG 53 CO -0.16 0.76 0.25 0.00 -1.51 0.00 0.00 179.97 179.31 1woi h ALA 54 N 1.09 0.93 -0.43 2.80 0.00 -0.78 -1.92 119.26 120.96 1woi h ALA 54 Ca 0.20 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1woi h ALA 54 Cb 0.19 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1woi h ALA 54 CO -0.02 0.58 -0.19 -0.07 0.00 0.00 0.00 179.25 179.55 1woi h LEU 55 N 1.03 0.84 -0.17 0.00 3.38 0.06 -0.51 115.31 119.94 1woi h LEU 55 Ca 0.23 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1woi h LEU 55 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1woi h LEU 55 CO -0.01 1.02 0.08 0.03 0.09 0.00 0.00 178.44 179.64 1woi h ARG 56 N 0.73 0.25 -0.68 1.13 3.08 -0.84 0.42 114.38 118.46 1woi h ARG 56 Ca 0.11 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1woi h ARG 56 Cb 0.71 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1woi h ARG 56 CO 0.05 0.29 0.37 0.93 -1.07 0.00 0.00 179.97 180.54 1woi h GLU 57 N 0.15 0.96 0.00 0.04 5.08 -1.22 -2.55 114.58 117.04 1woi h GLU 57 Ca 0.06 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1woi h GLU 57 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1woi h GLU 57 CO -0.01 0.72 -0.38 0.00 -1.00 0.00 0.00 179.01 178.35 1woi h ALA 58 N 1.18 1.29 0.00 3.43 0.00 -0.85 -2.75 119.26 121.55 1woi h ALA 58 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1woi h ALA 58 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1woi h ALA 58 CO -0.04 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.56 1woi n SER 59 N -3.96 0.68 0.00 0.00 3.41 0.12 -1.94 113.62 111.92 1woi n SER 59 Ca -0.02 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.33 1woi n SER 59 Cb 0.43 -0.82 0.27 0.00 -0.26 0.00 0.00 64.21 63.83 1woi n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1woi n LEU 60 N -2.26 0.00 0.00 1.04 4.77 -1.04 -0.38 117.00 119.14 1woi n LEU 60 Ca 0.02 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 1woi n LEU 60 Cb 0.22 -0.49 0.20 0.00 -2.33 0.00 0.00 43.42 41.01 1woi n LEU 60 CO 0.19 -0.28 0.38 0.54 -1.33 0.00 0.00 177.39 176.89 1woi n ARG 61 N -1.49 0.03 -3.06 3.23 5.12 -0.82 -4.34 116.66 115.32 1woi n ARG 61 Ca 0.03 0.00 -0.20 0.00 -1.93 0.00 0.00 57.85 55.75 1woi n ARG 61 Cb 0.15 -1.52 -0.03 0.00 -1.16 0.00 0.00 32.46 29.90 1woi n ARG 61 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1woi n SER 62 N -1.56 2.06 -4.69 0.55 7.64 0.49 -5.09 113.62 113.02 1woi n SER 62 Ca 0.05 -3.21 -0.42 0.00 1.01 0.00 0.00 58.87 56.31 1woi n SER 62 Cb 0.35 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1woi n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1woi s VAL 63 N -3.17 4.88 0.77 0.44 1.01 -1.20 -4.84 120.40 118.29 1woi s VAL 63 Ca 0.42 1.81 -0.11 0.00 0.00 0.00 0.00 61.98 64.09 1woi s VAL 63 Cb 0.34 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.57 1woi s VAL 63 CO -0.09 0.08 1.08 -2.16 0.00 0.00 0.00 175.10 174.01 1woi s PRO 64 N 1.67 2.27 0.99 2.72 0.04 -1.26 -4.71 135.00 136.72 1woi s PRO 64 Ca 0.44 0.85 -0.17 0.00 0.04 0.00 0.00 61.00 62.16 1woi s PRO 64 Cb -0.18 -1.92 0.21 0.00 0.04 0.00 0.00 34.50 32.65 1woi s PRO 64 CO 0.18 -1.54 1.32 -1.25 0.04 0.00 0.00 177.00 175.74 1woi s PRO 65 N -5.05 0.40 -0.10 0.56 0.04 -1.26 -5.11 135.00 124.48 1woi s PRO 65 Ca 0.60 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.23 1woi s PRO 65 Cb -0.15 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1woi s PRO 65 CO 0.55 -2.57 -0.09 -0.06 0.04 0.00 0.00 177.00 174.87 1woi s PHE 66 N -3.84 1.47 -0.34 0.56 0.40 -0.75 -4.97 117.98 110.50 1woi s PHE 66 Ca 0.75 -0.67 -0.10 0.00 -0.60 0.00 0.00 56.93 56.30 1woi s PHE 66 Cb -0.04 -1.17 0.01 0.00 0.51 0.00 0.00 43.02 42.33 1woi s PHE 66 CO 0.53 -0.44 0.16 0.99 0.70 0.00 0.00 175.22 177.17 1woi s THR 67 N 1.36 4.48 0.45 0.64 2.01 -1.26 -0.83 115.64 122.49 1woi s THR 67 Ca -0.01 -0.66 -0.08 0.00 0.31 0.00 0.00 61.69 61.25 1woi s THR 67 Cb -0.14 -3.39 0.11 0.00 0.01 0.00 0.00 72.50 69.09 1woi s THR 67 CO -0.04 -0.07 0.50 0.61 -0.69 0.00 0.00 174.62 174.93 1woi n GLY 68 N 4.97 -1.87 0.21 4.40 0.00 -0.72 -4.87 105.19 107.30 1woi n GLY 68 Ca -0.13 -1.59 0.04 0.00 0.00 0.00 0.00 46.02 44.35 1woi n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1woi h LEU 69 N 0.00 0.00 0.00 0.99 5.85 -1.98 -2.03 115.31 118.13 1woi h LEU 69 Ca -0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.55 1woi h LEU 69 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1woi h LEU 69 CO 0.12 0.26 0.00 -0.90 -0.34 0.00 0.00 178.44 177.58 1woi n ASP 70 N -4.20 0.00 0.00 1.25 5.68 -1.26 -4.89 116.55 113.14 1woi n ASP 70 Ca -0.02 -0.15 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1woi n ASP 70 Cb 0.31 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 1woi n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1woi n GLY 71 N 0.83 2.84 3.75 6.12 0.00 -0.76 -5.03 105.19 112.95 1woi n GLY 71 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1woi n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woi s LYS 72 N -0.52 4.53 -0.01 1.61 1.02 -1.26 -4.72 119.74 120.38 1woi s LYS 72 Ca 0.00 1.91 -0.00 0.00 0.02 0.00 0.00 55.97 57.90 1woi s LYS 72 Cb 0.00 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1woi s LYS 72 CO 0.00 0.03 0.05 0.99 -0.92 0.00 0.00 175.35 175.50 1woi s THR 73 N -0.76 4.54 0.13 2.17 2.01 -1.26 -1.76 115.64 120.71 1woi s THR 73 Ca 0.48 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 62.12 1woi s THR 73 Cb -0.34 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 1woi s THR 73 CO 0.42 0.39 -0.17 -0.13 -0.69 0.00 0.00 174.62 174.44 1woi s ARG 74 N -1.58 1.13 -0.76 4.92 0.52 -0.01 -4.69 118.95 118.47 1woi s ARG 74 Ca 0.21 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.14 1woi s ARG 74 Cb -0.12 -1.15 0.00 0.00 0.52 0.00 0.00 34.95 34.20 1woi s ARG 74 CO 0.11 0.24 0.00 1.28 0.02 0.00 0.00 175.30 176.95 1woi n LEU 75 N 0.58 -0.19 -4.64 2.53 4.77 -1.26 -1.82 117.00 116.97 1woi n LEU 75 Ca -0.16 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1woi n LEU 75 Cb 0.56 -1.99 -0.03 0.00 -2.33 0.00 0.00 43.42 39.64 1woi n LEU 75 CO 0.27 -0.71 1.48 -1.58 -1.33 0.00 0.00 177.39 175.51 1woi s GLN 76 N -2.29 3.92 0.00 3.23 2.00 -1.26 -1.65 119.66 123.61 1woi s GLN 76 Ca 0.00 2.08 0.00 0.00 -2.00 0.00 0.00 55.36 55.44 1woi s GLN 76 Cb 0.00 -4.09 0.00 0.00 0.80 0.00 0.00 33.01 29.72 1woi s GLN 76 CO 0.00 -1.17 0.00 0.41 -0.50 0.00 0.00 175.29 174.03 1woi n GLY 77 N 4.59 1.20 3.64 2.59 0.00 -1.26 -5.02 105.19 110.93 1woi n GLY 77 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1woi n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1woi s VAL 78 N -2.49 4.50 0.24 1.61 1.01 -0.66 -5.01 120.40 119.60 1woi s VAL 78 Ca 0.00 1.76 -0.19 0.00 0.00 0.00 0.00 61.98 63.55 1woi s VAL 78 Cb 0.00 -4.33 -0.08 0.00 0.00 0.00 0.00 36.38 31.96 1woi s VAL 78 CO 0.00 -0.38 0.72 0.42 0.00 0.00 0.00 175.10 175.86 1woi s THR 79 N 3.59 4.60 0.23 3.92 -4.23 -1.26 -4.96 115.64 117.53 1woi s THR 79 Ca 0.47 1.20 0.10 0.00 -1.18 0.00 0.00 61.69 62.28 1woi s THR 79 Cb -0.14 -3.80 -0.05 0.00 1.34 0.00 0.00 72.50 69.85 1woi s THR 79 CO 0.14 0.13 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.80 1woi s PHE 80 N -1.61 2.02 -0.01 3.99 0.40 -1.26 -1.47 117.98 120.03 1woi s PHE 80 Ca 0.45 -0.44 -0.14 0.00 -0.60 0.00 0.00 56.93 56.20 1woi s PHE 80 Cb -0.15 -0.92 0.02 0.00 0.51 0.00 0.00 43.02 42.47 1woi s PHE 80 CO 0.20 0.51 0.29 0.00 0.70 0.00 0.00 175.22 176.93 1woi s ALA 81 N -2.51 -0.73 -0.26 5.36 0.00 -0.26 -4.24 121.76 119.13 1woi s ALA 81 Ca 0.24 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.48 1woi s ALA 81 Cb -0.04 0.11 0.06 0.00 0.00 0.00 0.00 23.12 23.25 1woi s ALA 81 CO 0.10 -0.27 -0.09 0.34 0.00 0.00 0.00 175.76 175.84 1woi s ASP 82 N -1.41 4.34 -0.02 0.00 -1.08 -0.70 -0.91 116.67 116.90 1woi s ASP 82 Ca -0.13 -1.39 0.04 0.00 -0.52 0.00 0.00 52.55 50.55 1woi s ASP 82 Cb -0.05 -1.48 0.14 0.00 -1.46 0.00 0.00 42.92 40.07 1woi s ASP 82 CO 0.03 -0.21 0.98 0.00 0.52 0.00 0.00 175.17 176.49 1woi n ALA 83 N 4.47 2.58 -0.23 3.66 0.00 -0.14 -0.85 120.51 130.00 1woi n ALA 83 Ca -0.13 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1woi n ALA 83 Cb 0.42 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1woi n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woi n GLY 84 N 0.51 0.17 3.36 0.00 0.00 -1.26 -4.10 105.19 103.88 1woi n GLY 84 Ca 0.05 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1woi n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1woi s ASP 85 N -4.00 2.92 0.26 1.61 1.01 -1.26 -1.14 116.67 116.07 1woi s ASP 85 Ca 0.00 -0.86 -0.30 0.00 0.71 0.00 0.00 52.55 52.10 1woi s ASP 85 Cb 0.00 -0.19 -0.10 0.00 1.01 0.00 0.00 42.92 43.64 1woi s ASP 85 CO 0.00 0.02 1.41 -0.69 0.21 0.00 0.00 175.17 176.12 1woi s VAL 86 N -1.91 2.70 -0.54 -1.27 1.01 -0.26 -4.91 120.40 115.22 1woi s VAL 86 Ca 0.17 0.60 -0.27 0.00 0.00 0.00 0.00 61.98 62.48 1woi s VAL 86 Cb -0.07 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.96 1woi s VAL 86 CO 0.08 0.10 1.11 -0.63 0.00 0.00 0.00 175.10 175.76 1woi s ILE 87 N -0.19 4.17 0.09 2.22 1.01 -1.26 -4.80 121.20 122.44 1woi s ILE 87 Ca 0.57 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 62.04 1woi s ILE 87 Cb -0.41 -4.64 -0.05 0.00 0.01 0.00 0.00 42.46 37.37 1woi s ILE 87 CO 0.45 -1.18 0.29 -0.76 0.00 0.00 0.00 174.94 173.74 1woi s LEU 88 N 4.54 4.32 0.75 2.97 1.43 -1.26 -4.97 118.68 126.46 1woi s LEU 88 Ca 0.41 0.44 -0.05 0.00 -1.03 0.00 0.00 54.13 53.90 1woi s LEU 88 Cb -0.09 -3.08 0.12 0.00 0.03 0.00 0.00 46.19 43.17 1woi s LEU 88 CO 0.26 0.13 1.04 -2.16 0.23 0.00 0.00 176.35 175.85 1woi s PRO 89 N -2.48 1.68 0.06 1.29 0.04 -1.26 -5.06 135.00 129.27 1woi s PRO 89 Ca 0.37 -0.72 -0.18 0.00 0.04 0.00 0.00 61.00 60.50 1woi s PRO 89 Cb -0.13 -2.21 -0.06 0.00 0.04 0.00 0.00 34.50 32.14 1woi s PRO 89 CO 0.25 -1.52 0.53 -1.12 0.04 0.00 0.00 177.00 175.19 1woi s SER 90 N -4.68 6.99 0.97 6.66 0.01 -1.26 -4.87 113.70 117.52 1woi s SER 90 Ca 0.65 1.18 0.00 0.00 1.31 0.00 0.00 55.95 59.10 1woi s SER 90 Cb -0.07 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.83 1woi s SER 90 CO 0.46 0.28 0.00 0.18 0.41 0.00 0.00 173.24 174.56 1woi n LEU 91 N 1.68 0.00 -4.06 2.44 4.77 -1.26 -4.86 117.00 115.71 1woi n LEU 91 Ca -0.11 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.43 1woi n LEU 91 Cb 0.51 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.61 1woi n LEU 91 CO 0.40 0.00 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.66 1woi n GLU 92 N 14.00 -0.43 -0.30 3.23 -0.58 -1.26 -4.72 120.64 130.58 1woi n GLU 92 Ca 0.00 0.11 0.11 0.00 -0.42 0.00 0.00 57.16 56.96 1woi n GLU 92 Cb 0.00 -2.78 0.34 0.00 -0.57 0.00 0.00 31.44 28.43 1woi n GLU 92 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1woi h PRO 93 N -2.51 0.75 -0.27 3.49 0.13 -1.96 -0.64 132.00 131.00 1woi h PRO 93 Ca -0.71 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1woi h PRO 93 Cb 1.40 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1woi h PRO 93 CO 0.53 0.50 0.16 0.37 -0.23 0.00 0.00 178.00 179.33 1woi h GLN 94 N 0.77 0.36 -0.68 0.86 4.15 -1.99 0.29 115.11 118.87 1woi h GLN 94 Ca 0.47 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.81 1woi h GLN 94 Cb 0.68 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 1woi h GLN 94 CO -0.24 0.28 0.21 1.25 -1.93 0.00 0.00 178.83 178.41 1woi h LEU 95 N 0.34 0.99 -0.57 -2.39 5.85 -1.71 -1.93 115.31 115.89 1woi h LEU 95 Ca 0.10 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1woi h LEU 95 Cb 0.01 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1woi h LEU 95 CO -0.02 0.94 0.37 0.00 -0.34 0.00 0.00 178.44 179.39 1woi h ALA 96 N 1.09 0.72 -0.66 1.25 0.00 -0.64 -0.51 119.26 120.51 1woi h ALA 96 Ca 0.22 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1woi h ALA 96 Cb 0.30 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1woi h ALA 96 CO -0.01 0.16 0.35 0.45 0.00 0.00 0.00 179.25 180.21 1woi h HIS 97 N 0.77 0.64 -0.43 0.00 3.86 0.01 -0.60 115.15 119.40 1woi h HIS 97 Ca 0.21 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.37 1woi h HIS 97 Cb -0.08 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1woi h HIS 97 CO -0.03 0.29 0.00 -0.44 0.86 0.00 0.00 177.93 178.61 1woi h ASP 98 N 0.64 0.75 -0.83 2.45 3.32 -0.80 -1.51 116.42 120.44 1woi h ASP 98 Ca 0.30 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 57.08 1woi h ASP 98 Cb 0.22 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 1woi h ASP 98 CO -0.20 0.87 0.53 0.03 -1.72 0.00 0.00 179.24 178.75 1woi h ARG 99 N 0.61 0.99 -0.10 3.56 2.47 -0.57 -1.40 114.38 119.94 1woi h ARG 99 Ca 0.12 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.77 1woi h ARG 99 Cb 0.49 -0.22 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1woi h ARG 99 CO 0.02 0.66 0.01 0.82 0.56 0.00 0.00 179.97 182.04 1woi h ILE 100 N 1.02 1.22 -0.55 2.04 2.04 -0.91 -2.05 117.51 120.32 1woi h ILE 100 Ca 0.34 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.50 1woi h ILE 100 Cb 0.03 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1woi h ILE 100 CO -0.12 0.20 0.35 0.74 0.00 0.00 0.00 178.15 179.31 1woi h THR 101 N -0.07 1.16 -0.26 -0.27 2.02 -1.07 -0.79 112.91 113.62 1woi h THR 101 Ca 0.03 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1woi h THR 101 Cb 0.30 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1woi h THR 101 CO 0.00 0.16 0.15 -0.08 0.37 0.00 0.00 175.52 176.12 1woi h GLU 102 N 0.75 0.36 -0.53 6.66 4.57 -1.21 0.21 114.58 125.39 1woi h GLU 102 Ca 0.20 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.29 1woi h GLU 102 Cb -0.04 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1woi h GLU 102 CO -0.04 0.30 0.12 0.00 -1.18 0.00 0.00 179.01 178.21 1woi h ALA 103 N 1.04 1.21 -0.53 2.92 0.00 -1.23 -1.77 119.26 120.90 1woi h ALA 103 Ca 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1woi h ALA 103 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1woi h ALA 103 CO -0.02 0.54 0.14 0.00 0.00 0.00 0.00 179.25 179.91 1woi h ALA 104 N 1.34 0.70 -0.32 0.00 0.00 -0.72 -1.24 119.26 119.02 1woi h ALA 104 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1woi h ALA 104 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1woi h ALA 104 CO 0.00 0.39 0.21 0.00 0.00 0.00 0.00 179.25 179.85 1woi h ARG 105 N 0.74 0.42 -0.10 0.00 3.08 -0.49 0.33 114.38 118.37 1woi h ARG 105 Ca 0.17 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1woi h ARG 105 Cb 0.32 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1woi h ARG 105 CO 0.00 0.28 0.06 1.96 -1.07 0.00 0.00 179.97 181.20 1woi h GLN 106 N 0.43 0.13 -0.50 0.04 4.20 -1.14 -2.42 115.11 115.86 1woi h GLN 106 Ca 0.12 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.73 1woi h GLN 106 Cb -0.05 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 1woi h GLN 106 CO -0.03 0.14 -0.04 0.28 -0.67 0.00 0.00 178.83 178.51 1woi h VAL 107 N 0.09 1.25 -0.30 -0.54 2.07 -1.11 -2.87 116.25 114.85 1woi h VAL 107 Ca 0.03 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1woi h VAL 107 Cb 0.04 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1woi h VAL 107 CO -0.01 0.39 0.04 -0.09 0.02 0.00 0.00 177.57 177.92 1woi h ARG 108 N 0.80 0.44 0.00 1.57 1.12 -0.74 -2.07 114.38 115.49 1woi h ARG 108 Ca 0.15 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.94 1woi h ARG 108 Cb 0.53 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1woi h ARG 108 CO 0.03 0.44 0.00 0.41 -3.11 0.00 0.00 179.97 177.74 1woi n GLY 109 N -1.06 -1.00 0.02 2.80 0.00 -0.93 -3.55 105.19 101.47 1woi n GLY 109 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1woi n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woi n ARG 110 N -1.01 0.53 -4.19 1.61 1.74 -0.79 -5.06 116.66 109.49 1woi n ARG 110 Ca 0.24 -0.43 -0.12 0.00 -0.77 0.00 0.00 57.85 56.76 1woi n ARG 110 Cb 0.11 -0.92 -0.10 0.00 -1.02 0.00 0.00 32.46 30.53 1woi n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woi h ARG 112 N 2.62 0.03 -4.55 0.00 2.43 -1.33 -3.45 114.38 110.12 1woi h ARG 112 Ca -0.36 -0.05 -0.64 0.00 -0.81 0.00 0.00 59.98 58.13 1woi h ARG 112 Cb 1.25 0.02 -0.38 0.00 -0.42 0.00 0.00 29.97 30.43 1woi h ARG 112 CO 0.53 1.02 -0.78 0.08 -1.51 0.00 0.00 179.97 179.31 1woi s VAL 113 N -2.35 1.85 0.16 0.20 1.01 -0.32 -4.81 120.40 116.14 1woi s VAL 113 Ca -0.26 -1.58 -0.23 0.00 0.00 0.00 0.00 61.98 59.91 1woi s VAL 113 Cb 0.04 -2.12 -0.08 0.00 0.00 0.00 0.00 36.38 34.22 1woi s VAL 113 CO 0.63 -0.20 0.72 -2.16 0.00 0.00 0.00 175.10 174.09 1woi s PRO 114 N 1.22 4.42 -0.23 2.72 0.04 -1.26 -2.74 135.00 139.17 1woi s PRO 114 Ca -0.03 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1woi s PRO 114 Cb -0.19 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.20 1woi s PRO 114 CO -0.07 0.55 -0.11 0.08 0.04 0.00 0.00 177.00 177.48 1woi s VAL 115 N -1.22 2.51 -0.21 -0.36 1.01 0.91 -2.12 120.40 120.92 1woi s VAL 115 Ca 0.36 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 1woi s VAL 115 Cb -0.21 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 1woi s VAL 115 CO 0.24 0.26 0.12 -0.36 0.00 0.00 0.00 175.10 175.36 1woi s PHE 116 N 1.28 3.32 -0.34 5.22 0.40 0.57 -0.54 117.98 127.89 1woi s PHE 116 Ca -0.00 0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 56.42 1woi s PHE 116 Cb -0.16 -2.18 0.01 0.00 0.51 0.00 0.00 43.02 41.20 1woi s PHE 116 CO -0.07 0.14 0.17 -0.51 0.70 0.00 0.00 175.22 175.65 1woi s LEU 117 N 0.68 4.35 0.88 -0.37 1.43 0.34 -0.84 118.68 125.15 1woi s LEU 117 Ca 0.06 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 1woi s LEU 117 Cb -0.12 -1.99 0.16 0.00 0.03 0.00 0.00 46.19 44.26 1woi s LEU 117 CO 0.01 -0.28 1.22 -0.83 0.23 0.00 0.00 176.35 176.70 1woi s GLY 118 N 1.57 1.75 0.00 -3.19 0.00 0.55 0.13 107.32 108.13 1woi s GLY 118 Ca 0.03 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1woi s GLY 118 CO 0.06 -0.55 0.00 0.61 0.00 0.00 0.00 173.10 173.22 1woi n GLY 119 N -3.47 0.06 3.79 0.20 0.00 -0.45 -3.57 105.19 101.75 1woi n GLY 119 Ca 0.14 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.36 1woi n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1woi s ASP 120 N -1.13 3.07 0.14 1.61 1.47 0.95 -1.04 116.67 121.74 1woi s ASP 120 Ca 0.00 0.78 0.15 0.00 1.18 0.00 0.00 52.55 54.67 1woi s ASP 120 Cb 0.00 -1.21 0.70 0.00 -0.34 0.00 0.00 42.92 42.07 1woi s ASP 120 CO 0.00 -2.81 1.47 1.57 0.68 0.00 0.00 175.17 176.08 1woi n HIS 121 N -3.91 0.39 0.30 2.11 -0.00 -1.26 -2.49 115.22 110.37 1woi n HIS 121 Ca 0.09 0.17 0.18 0.00 -0.00 0.00 0.00 57.72 58.16 1woi n HIS 121 Cb 0.59 -0.78 0.84 0.00 -0.00 0.00 0.00 29.99 30.64 1woi n HIS 121 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1woi h SER 122 N 0.00 0.00 0.55 0.26 4.64 -1.81 -2.49 113.55 114.70 1woi h SER 122 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1woi h SER 122 Cb 0.17 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1woi h SER 122 CO 0.00 0.00 -0.18 -0.37 -0.87 0.00 0.00 176.83 175.41 1woi h VAL 123 N 0.00 0.63 -0.37 0.95 -1.51 -1.84 -3.07 116.25 111.05 1woi h VAL 123 Ca 0.00 -0.81 0.06 0.00 -1.23 0.00 0.00 66.70 64.73 1woi h VAL 123 Cb 0.26 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 1woi h VAL 123 CO 0.00 0.18 0.26 0.28 -1.23 0.00 0.00 177.57 177.05 1woi h SER 124 N 0.00 0.20 0.81 4.19 0.02 -1.69 -2.08 113.55 115.00 1woi h SER 124 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1woi h SER 124 Cb 0.50 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.01 1woi h SER 124 CO 0.02 0.13 -0.39 0.22 -1.14 0.00 0.00 176.83 175.67 1woi h TYR 125 N 0.23 -1.01 0.00 3.45 3.20 -1.74 0.15 116.97 121.25 1woi h TYR 125 Ca 0.17 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1woi h TYR 125 Cb 0.37 0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 1woi h TYR 125 CO -0.00 -0.62 -0.07 -1.00 -1.64 0.00 0.00 178.16 174.83 1woi h PRO 126 N -1.27 0.00 -0.11 1.82 0.13 -1.72 -1.66 132.00 129.19 1woi h PRO 126 Ca -0.11 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.99 1woi h PRO 126 Cb 0.84 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1woi h PRO 126 CO 0.18 0.07 -0.02 -0.07 -0.23 0.00 0.00 178.00 177.92 1woi h LEU 127 N 0.00 0.22 -1.77 1.56 4.07 -1.21 -2.99 115.31 115.19 1woi h LEU 127 Ca -0.00 -0.36 -0.03 0.00 0.08 0.00 0.00 57.88 57.57 1woi h LEU 127 Cb 0.16 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 1woi h LEU 127 CO 0.01 0.53 -0.14 -0.07 -1.08 0.00 0.00 178.44 177.69 1woi h LEU 128 N -0.09 0.00 -2.84 1.67 3.38 0.10 -2.10 115.31 115.43 1woi h LEU 128 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1woi h LEU 128 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1woi h LEU 128 CO 0.01 0.14 0.02 0.03 0.09 0.00 0.00 178.44 178.73 1woi h ARG 129 N 0.00 0.00 -0.00 1.13 3.08 -1.17 0.16 114.38 117.58 1woi h ARG 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1woi h ARG 129 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 1woi h ARG 129 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1woi n ALA 130 N -2.12 2.68 -1.39 0.04 0.00 -0.79 -3.48 120.51 115.45 1woi n ALA 130 Ca -0.03 -0.19 0.04 0.00 0.00 0.00 0.00 53.44 53.26 1woi n ALA 130 Cb 0.09 -1.49 0.20 0.00 0.00 0.00 0.00 19.45 18.25 1woi n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1woi n PHE 131 N -0.97 0.43 0.28 0.00 3.01 0.57 -4.76 117.46 116.03 1woi n PHE 131 Ca 0.23 -1.37 0.12 0.00 1.01 0.00 0.00 57.45 57.44 1woi n PHE 131 Cb 0.11 -0.31 0.78 0.00 -0.01 0.00 0.00 39.48 40.05 1woi n PHE 131 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1woi h ALA 132 N 0.88 1.57 -0.01 4.37 0.00 -1.69 -2.26 119.26 122.13 1woi h ALA 132 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1woi h ALA 132 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1woi h ALA 132 CO 0.14 0.06 -0.03 -0.40 0.00 0.00 0.00 179.25 179.03 1woi n ASP 133 N -3.98 0.79 -4.60 0.00 3.85 -1.26 -4.76 116.55 106.59 1woi n ASP 133 Ca -0.03 -1.16 -0.43 0.00 -0.71 0.00 0.00 54.79 52.47 1woi n ASP 133 Cb 0.14 -0.01 -0.03 0.00 -1.35 0.00 0.00 41.12 39.87 1woi n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1woi s VAL 134 N -2.09 4.46 0.35 2.12 1.01 -0.85 -5.01 120.40 120.39 1woi s VAL 134 Ca 0.40 1.15 -0.28 0.00 0.00 0.00 0.00 61.98 63.24 1woi s VAL 134 Cb 0.21 -4.43 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 1woi s VAL 134 CO 0.38 -0.72 1.47 -2.16 0.00 0.00 0.00 175.10 174.07 1woi s PRO 135 N 3.79 4.16 -1.41 2.72 0.04 -1.26 -3.32 135.00 139.72 1woi s PRO 135 Ca 0.41 2.50 -0.15 0.00 0.04 0.00 0.00 61.00 63.81 1woi s PRO 135 Cb -0.10 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.46 1woi s PRO 135 CO 0.23 -0.48 0.29 -0.25 0.04 0.00 0.00 177.00 176.83 1woi n ASP 136 N 0.80 -1.18 -4.71 6.66 8.00 -1.24 -4.70 116.55 120.18 1woi n ASP 136 Ca 0.02 -1.28 -0.42 0.00 0.71 0.00 0.00 54.79 53.81 1woi n ASP 136 Cb 0.39 -1.65 -0.03 0.00 -0.02 0.00 0.00 41.12 39.81 1woi n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1woi s LEU 137 N -7.42 4.37 0.06 0.64 2.96 0.14 -4.40 118.68 115.02 1woi s LEU 137 Ca 0.21 2.54 0.06 0.00 -0.22 0.00 0.00 54.13 56.72 1woi s LEU 137 Cb -0.11 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1woi s LEU 137 CO 0.99 -0.81 -0.14 -1.00 -1.32 0.00 0.00 176.35 174.07 1woi s HIS 138 N 1.49 2.66 -0.11 5.38 3.76 -0.13 -2.18 115.29 126.17 1woi s HIS 138 Ca 0.70 -0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.45 1woi s HIS 138 Cb -0.42 -1.47 0.00 0.00 1.11 0.00 0.00 32.58 31.81 1woi s HIS 138 CO 0.31 0.33 -0.22 0.08 -0.85 0.00 0.00 174.74 174.39 1woi s VAL 139 N -1.03 1.99 -0.36 -0.90 1.01 -0.61 -0.87 120.40 119.63 1woi s VAL 139 Ca 0.17 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.09 1woi s VAL 139 Cb -0.11 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.55 1woi s VAL 139 CO 0.08 0.54 0.18 -0.69 0.00 0.00 0.00 175.10 175.21 1woi s VAL 140 N 0.56 4.45 -0.19 2.92 1.01 -0.58 -0.78 120.40 127.78 1woi s VAL 140 Ca -0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1woi s VAL 140 Cb -0.17 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1woi s VAL 140 CO 0.04 -0.16 -0.05 -1.58 0.00 0.00 0.00 175.10 173.35 1woi s GLN 141 N 1.54 3.44 -0.26 2.72 0.74 0.77 -1.38 119.66 127.24 1woi s GLN 141 Ca 0.02 -0.61 -0.12 0.00 0.05 0.00 0.00 55.36 54.70 1woi s GLN 141 Cb -0.19 -2.93 -0.05 0.00 1.10 0.00 0.00 33.01 30.94 1woi s GLN 141 CO 0.06 -0.04 0.24 -0.51 -0.55 0.00 0.00 175.29 174.48 1woi s LEU 142 N 1.07 4.07 -0.15 3.68 1.43 -0.36 -0.37 118.68 128.05 1woi s LEU 142 Ca 0.01 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 1woi s LEU 142 Cb -0.15 -2.21 0.13 0.00 0.03 0.00 0.00 46.19 43.99 1woi s LEU 142 CO -0.00 -0.04 1.00 -0.62 0.23 0.00 0.00 176.35 176.91 1woi s ASP 143 N 1.45 -0.36 0.24 2.29 -1.08 -0.91 -0.98 116.67 117.32 1woi s ASP 143 Ca 0.10 0.35 0.23 0.00 -0.52 0.00 0.00 52.55 52.71 1woi s ASP 143 Cb -0.15 0.30 0.18 0.00 -1.46 0.00 0.00 42.92 41.79 1woi s ASP 143 CO 0.08 -0.36 1.26 0.00 0.52 0.00 0.00 175.17 176.67 1woi h ALA 144 N 2.49 0.65 -2.65 3.66 0.00 -1.73 -2.76 119.26 118.91 1woi h ALA 144 Ca -0.18 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.11 1woi h ALA 144 Cb 1.17 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.81 1woi h ALA 144 CO 0.31 0.00 -0.76 -1.01 0.00 0.00 0.00 179.25 177.79 1woi s HIS 145 N -3.28 2.40 0.06 0.00 3.76 -1.26 -2.11 115.29 114.86 1woi s HIS 145 Ca 0.03 -0.31 -0.15 0.00 -0.15 0.00 0.00 55.06 54.48 1woi s HIS 145 Cb 0.09 -1.11 -0.26 0.00 1.11 0.00 0.00 32.58 32.41 1woi s HIS 145 CO 0.74 0.60 1.14 1.25 -0.85 0.00 0.00 174.74 177.63 1woi h LEU 146 N 2.62 0.89 -1.62 0.89 5.85 -1.96 -3.48 115.31 118.51 1woi h LEU 146 Ca -0.44 -0.78 -0.43 0.00 0.84 0.00 0.00 57.88 57.07 1woi h LEU 146 Cb 1.23 -0.28 0.04 0.00 0.37 0.00 0.00 40.66 42.02 1woi h LEU 146 CO 0.55 1.56 -0.82 0.47 -0.34 0.00 0.00 178.44 179.87 1woi n ASP 147 N -3.84 -1.90 -0.54 1.25 8.00 -1.26 -4.89 116.55 113.37 1woi n ASP 147 Ca -0.12 -0.81 0.06 0.00 0.71 0.00 0.00 54.79 54.63 1woi n ASP 147 Cb 0.92 -4.02 0.13 0.00 -0.02 0.00 0.00 41.12 38.13 1woi n ASP 147 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1woi n PHE 148 N -4.37 0.00 -2.50 1.24 7.35 -1.03 -3.09 117.46 115.07 1woi n PHE 148 Ca -0.23 -0.96 -0.36 0.00 -0.76 0.00 0.00 57.45 55.13 1woi n PHE 148 Cb 0.65 -0.17 -0.03 0.00 0.35 0.00 0.00 39.48 40.27 1woi n PHE 148 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1woi s THR 149 N -2.17 3.63 -0.05 -2.13 2.01 -0.32 -4.55 115.64 112.06 1woi s THR 149 Ca 0.30 1.22 -0.01 0.00 0.31 0.00 0.00 61.69 63.51 1woi s THR 149 Cb 0.29 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 1woi s THR 149 CO -0.04 -0.02 0.04 -0.78 -0.69 0.00 0.00 174.62 173.13 1woi h ASP 150 N 2.32 -0.02 -4.24 3.53 3.58 -1.93 -3.37 116.42 116.28 1woi h ASP 150 Ca -0.49 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.51 1woi h ASP 150 Cb 1.22 0.01 -0.27 0.00 1.72 0.00 0.00 39.33 42.01 1woi h ASP 150 CO 0.62 0.25 -0.80 -0.89 -2.88 0.00 0.00 179.24 175.53 1woi s THR 151 N -1.41 1.08 -0.10 2.25 2.01 -1.26 -4.57 115.64 113.64 1woi s THR 151 Ca -0.00 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 1woi s THR 151 Cb 0.00 -0.94 0.04 0.00 0.01 0.00 0.00 72.50 71.61 1woi s THR 151 CO 0.01 0.17 0.23 -0.60 -0.69 0.00 0.00 174.62 173.74 1woi s ARG 152 N -0.68 0.22 -1.53 4.92 3.52 -0.85 -4.89 118.95 119.66 1woi s ARG 152 Ca 0.04 0.44 -0.05 0.00 -0.13 0.00 0.00 55.73 56.02 1woi s ARG 152 Cb -0.06 -0.03 0.04 0.00 -1.56 0.00 0.00 34.95 33.35 1woi s ARG 152 CO 0.00 -0.11 0.40 0.09 -0.81 0.00 0.00 175.30 174.87 1woi n ASN 153 N 3.73 -0.68 -2.20 -2.12 4.13 -1.26 -1.50 115.26 115.35 1woi n ASN 153 Ca -0.20 -1.09 -0.21 0.00 1.68 0.00 0.00 54.58 54.76 1woi n ASN 153 Cb 0.55 -2.56 -0.03 0.00 -1.54 0.00 0.00 39.78 36.20 1woi n ASN 153 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1woi n ASP 154 N -2.87 -5.84 -3.99 6.41 8.00 -1.26 -5.00 116.55 112.00 1woi n ASP 154 Ca -0.22 0.11 -0.09 0.00 0.71 0.00 0.00 54.79 55.31 1woi n ASP 154 Cb 0.64 -4.93 -0.10 0.00 -0.02 0.00 0.00 41.12 36.70 1woi n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woi s THR 155 N -2.98 0.14 -1.24 -3.53 -1.32 -0.56 -5.03 115.64 101.12 1woi s THR 155 Ca 0.00 -1.15 0.22 0.00 -1.21 0.00 0.00 61.69 59.55 1woi s THR 155 Cb 0.00 -0.68 -0.13 0.00 -1.51 0.00 0.00 72.50 70.18 1woi s THR 155 CO 0.00 -0.63 1.04 0.29 -2.21 0.00 0.00 174.62 173.11 1woi n LYS 156 N 1.09 0.27 -0.57 7.08 4.76 -1.26 -2.01 118.16 127.52 1woi n LYS 156 Ca -0.21 -0.22 0.07 0.00 -2.87 0.00 0.00 58.31 55.09 1woi n LYS 156 Cb 0.57 -1.50 0.29 0.00 -1.84 0.00 0.00 35.03 32.55 1woi n LYS 156 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1woi n TRP 157 N -1.17 1.24 -1.46 2.13 7.02 -1.26 -4.80 117.44 119.13 1woi n TRP 157 Ca 0.06 -0.90 -0.29 0.00 -1.02 0.00 0.00 57.50 55.34 1woi n TRP 157 Cb 0.36 -0.38 0.18 0.00 -2.42 0.00 0.00 31.31 29.05 1woi n TRP 157 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1woi s SER 158 N -1.71 2.60 0.00 -0.99 1.04 -1.26 -4.86 113.70 108.52 1woi s SER 158 Ca 0.45 0.73 0.25 0.00 0.48 0.00 0.00 55.95 57.87 1woi s SER 158 Cb 0.36 -1.10 1.52 0.00 0.10 0.00 0.00 66.02 66.90 1woi s SER 158 CO 0.10 -3.09 1.89 -0.46 0.98 0.00 0.00 173.24 172.65 1woi n ASN 159 N -4.09 0.00 -0.69 7.02 6.94 -1.22 -2.07 115.26 121.15 1woi n ASN 159 Ca 0.10 -0.84 0.12 0.00 -0.02 0.00 0.00 54.58 53.94 1woi n ASN 159 Cb 0.59 0.00 0.20 0.00 -2.36 0.00 0.00 39.78 38.22 1woi n ASN 159 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1woi n SER 160 N -0.99 2.29 0.00 0.53 7.64 -1.26 -4.45 113.62 117.38 1woi n SER 160 Ca 0.19 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1woi n SER 160 Cb 0.09 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.39 1woi n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1woi n SER 161 N 0.63 0.91 -0.25 6.43 7.64 -0.88 -1.18 113.62 126.93 1woi n SER 161 Ca 0.14 -1.05 0.02 0.00 1.01 0.00 0.00 58.87 59.00 1woi n SER 161 Cb 0.50 0.00 0.11 0.00 -1.01 0.00 0.00 64.21 63.80 1woi n SER 161 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1woi h PRO 162 N 0.00 0.03 0.00 1.43 0.13 -1.69 -0.65 132.00 131.25 1woi h PRO 162 Ca 0.00 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 1woi h PRO 162 Cb 0.09 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.21 1woi h PRO 162 CO 0.00 0.02 -0.26 0.74 -0.23 0.00 0.00 178.00 178.27 1woi h PHE 163 N 0.03 0.00 -0.16 1.56 -1.00 -1.88 0.27 116.94 115.76 1woi h PHE 163 Ca 0.37 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.95 1woi h PHE 163 Cb 0.60 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.16 1woi h PHE 163 CO -0.52 0.26 -0.68 -0.09 -1.61 0.00 0.00 178.31 175.67 1woi h ARG 164 N 0.00 0.75 -0.38 1.51 9.65 -1.40 -1.59 114.38 122.93 1woi h ARG 164 Ca -0.00 -0.59 -0.14 0.00 -1.10 0.00 0.00 59.98 58.15 1woi h ARG 164 Cb 0.90 0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.59 1woi h ARG 164 CO 0.03 1.20 -0.32 0.00 2.80 0.00 0.00 179.97 183.68 1woi h ARG 165 N 0.47 0.84 -0.19 0.20 2.47 -0.95 -2.73 114.38 114.49 1woi h ARG 165 Ca -0.04 -0.40 -0.01 0.00 -1.26 0.00 0.00 59.98 58.27 1woi h ARG 165 Cb 1.31 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 1woi h ARG 165 CO 0.14 1.04 0.06 0.00 0.56 0.00 0.00 179.97 181.77 1woi h ALA 166 N 0.93 0.24 -0.78 0.04 0.00 -0.88 -2.94 119.26 115.87 1woi h ALA 166 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1woi h ALA 166 Cb 0.88 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1woi h ALA 166 CO 0.08 -0.14 0.32 0.00 0.00 0.00 0.00 179.25 179.52 1woi n GLU 168 N -4.29 0.20 -0.00 0.00 0.28 -1.03 -3.03 120.64 112.77 1woi n GLU 168 Ca 0.07 0.10 0.03 0.00 -0.16 0.00 0.00 57.16 57.20 1woi n GLU 168 Cb 0.18 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.51 1woi n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1woi n ALA 169 N -1.36 2.59 -3.73 -1.84 0.00 -0.85 -4.89 120.51 110.42 1woi n ALA 169 Ca 0.09 -0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1woi n ALA 169 Cb 0.20 -0.20 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1woi n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1woi s LEU 170 N -2.55 2.74 0.62 0.00 1.43 0.29 -4.96 118.68 116.24 1woi s LEU 170 Ca 0.01 -2.48 0.39 0.00 -1.03 0.00 0.00 54.13 51.02 1woi s LEU 170 Cb 0.04 -1.05 2.01 0.00 0.03 0.00 0.00 46.19 47.23 1woi s LEU 170 CO 0.23 -0.29 2.24 1.55 0.23 0.00 0.00 176.35 180.30 1woi h PRO 171 N 6.95 0.00 0.00 1.29 0.13 -1.87 -0.61 132.00 137.89 1woi h PRO 171 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1woi h PRO 171 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1woi h PRO 171 CO 0.49 0.02 0.00 0.27 -0.23 0.00 0.00 178.00 178.54 1woi n ASN 172 N -3.21 0.00 -4.43 1.44 6.94 -1.26 -4.27 115.26 110.47 1woi n ASN 172 Ca -0.02 0.18 -0.44 0.00 -0.02 0.00 0.00 54.58 54.27 1woi n ASN 172 Cb 0.15 -0.38 -0.02 0.00 -2.36 0.00 0.00 39.78 37.17 1woi n ASN 172 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1woi s LEU 173 N -2.76 5.34 0.00 -4.53 0.20 -0.24 0.26 118.68 116.95 1woi s LEU 173 Ca 0.19 -2.44 0.27 0.00 0.69 0.00 0.00 54.13 52.83 1woi s LEU 173 Cb 0.16 -2.37 0.81 0.00 -0.43 0.00 0.00 46.19 44.37 1woi s LEU 173 CO 0.41 -0.88 1.62 1.33 -0.29 0.00 0.00 176.35 178.54 1woi n VAL 174 N 4.94 0.00 -3.58 1.68 0.24 -0.92 -4.91 118.33 115.78 1woi n VAL 174 Ca 0.26 -0.02 -0.12 0.00 -2.04 0.00 0.00 64.34 62.41 1woi n VAL 174 Cb 0.47 0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 1woi n VAL 174 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1woi s HIS 175 N -2.86 -0.49 -0.02 6.34 5.65 -1.22 -4.92 115.29 117.77 1woi s HIS 175 Ca 0.16 0.95 0.02 0.00 0.25 0.00 0.00 55.06 56.44 1woi s HIS 175 Cb 0.18 0.41 0.00 0.00 -1.18 0.00 0.00 32.58 32.00 1woi s HIS 175 CO 0.61 -0.39 -0.07 0.42 -0.65 0.00 0.00 174.74 174.65 1woi s ILE 176 N -0.78 0.65 -0.22 0.89 1.01 -1.26 -1.58 121.20 119.92 1woi s ILE 176 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1woi s ILE 176 Cb -0.01 -0.59 0.04 0.00 0.01 0.00 0.00 42.46 41.91 1woi s ILE 176 CO 0.02 0.21 -0.15 -0.89 0.00 0.00 0.00 174.94 174.13 1woi s THR 177 N 0.21 2.14 -0.17 2.92 2.01 0.04 -0.59 115.64 122.20 1woi s THR 177 Ca -0.03 -1.27 -0.03 0.00 0.31 0.00 0.00 61.69 60.67 1woi s THR 177 Cb -0.08 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1woi s THR 177 CO 0.00 0.26 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.25 1woi s THR 178 N 1.20 3.63 -0.06 -0.82 2.01 -0.36 -0.16 115.64 121.08 1woi s THR 178 Ca -0.02 -0.44 0.05 0.00 0.31 0.00 0.00 61.69 61.59 1woi s THR 178 Cb -0.16 -2.60 -0.00 0.00 0.01 0.00 0.00 72.50 69.74 1woi s THR 178 CO -0.09 0.47 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.42 1woi s VAL 179 N 0.68 1.72 0.00 3.82 1.01 0.50 -0.19 120.40 127.94 1woi s VAL 179 Ca -0.03 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1woi s VAL 179 Cb -0.15 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1woi s VAL 179 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1woi n GLY 180 N 3.20 0.88 3.69 4.51 0.00 -0.40 -2.14 105.19 114.92 1woi n GLY 180 Ca -0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.40 1woi n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woi n LEU 181 N 0.00 3.51 -3.72 0.99 4.77 -1.04 -4.08 117.00 117.42 1woi n LEU 181 Ca 0.00 1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 57.11 1woi n LEU 181 Cb 0.00 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.60 1woi n LEU 181 CO 0.00 -0.32 0.78 0.00 -1.33 0.00 0.00 177.39 176.51 1woi s ARG 182 N -0.71 1.04 0.00 3.23 1.70 -0.90 -0.57 118.95 122.73 1woi s ARG 182 Ca 0.65 -0.57 0.00 0.00 -0.47 0.00 0.00 55.73 55.34 1woi s ARG 182 Cb -0.60 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.14 1woi s ARG 182 CO 0.52 -0.47 0.00 0.41 -1.08 0.00 0.00 175.30 174.67 1woi n GLY 183 N -0.46 2.98 0.12 3.88 0.00 -1.26 -4.73 105.19 105.73 1woi n GLY 183 Ca -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.96 1woi n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1woi h LEU 184 N 0.00 0.00 -8.49 0.99 3.38 -2.02 -3.46 115.31 105.71 1woi h LEU 184 Ca 0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1woi h LEU 184 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 1woi h LEU 184 CO 0.00 0.60 -0.88 -0.60 0.09 0.00 0.00 178.44 177.65 1woi s ARG 185 N -2.91 2.42 0.00 1.13 3.52 -1.26 -5.12 118.95 116.74 1woi s ARG 185 Ca 0.03 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 54.74 1woi s ARG 185 Cb 0.08 -2.10 -0.00 0.00 -1.56 0.00 0.00 34.95 31.37 1woi s ARG 185 CO 0.76 0.41 -0.03 -0.06 -0.81 0.00 0.00 175.30 175.57 1woi s PHE 186 N -0.23 0.23 -0.54 5.12 0.40 -1.26 -5.06 117.98 116.63 1woi s PHE 186 Ca -0.01 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 55.93 1woi s PHE 186 Cb -0.13 -0.15 0.01 0.00 0.51 0.00 0.00 43.02 43.27 1woi s PHE 186 CO 0.03 -0.03 1.41 0.34 0.70 0.00 0.00 175.22 177.67 1woi s ASP 187 N -0.27 6.17 0.36 1.36 -1.08 -1.26 -4.90 116.67 117.05 1woi s ASP 187 Ca -0.01 0.37 0.06 0.00 -0.52 0.00 0.00 52.55 52.45 1woi s ASP 187 Cb -0.02 -2.54 0.75 0.00 -1.46 0.00 0.00 42.92 39.64 1woi s ASP 187 CO -0.00 -1.66 1.94 1.55 0.52 0.00 0.00 175.17 177.52 1woi h PRO 188 N 10.97 0.73 -0.59 4.34 0.13 -1.99 0.07 132.00 145.66 1woi h PRO 188 Ca -0.27 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.73 1woi h PRO 188 Cb 1.09 -0.16 -0.02 0.00 0.13 0.00 0.00 31.00 32.04 1woi h PRO 188 CO 1.16 0.48 0.02 1.49 -0.23 0.00 0.00 178.00 180.92 1woi h GLU 189 N 0.75 1.04 -0.27 0.86 4.22 -1.99 -0.91 114.58 118.28 1woi h GLU 189 Ca 0.34 -0.32 -0.06 0.00 0.08 0.00 0.00 59.36 59.40 1woi h GLU 189 Cb 0.35 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1woi h GLU 189 CO -0.12 1.01 -0.07 0.00 -2.18 0.00 0.00 179.01 177.65 1woi h ALA 190 N 0.98 0.38 0.00 2.92 0.00 -1.56 -1.35 119.26 120.64 1woi h ALA 190 Ca 0.17 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1woi h ALA 190 Cb 0.53 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1woi h ALA 190 CO 0.03 0.20 -0.01 0.28 0.00 0.00 0.00 179.25 179.74 1woi h VAL 191 N 0.29 0.97 -0.97 0.00 2.07 -0.88 -0.73 116.25 117.00 1woi h VAL 191 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1woi h VAL 191 Cb 0.55 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1woi h VAL 191 CO 0.03 0.00 0.64 0.00 0.02 0.00 0.00 177.57 178.26 1woi h ALA 192 N 0.97 1.32 -0.32 1.67 0.00 -1.15 -0.50 119.26 121.25 1woi h ALA 192 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1woi h ALA 192 Cb 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1woi h ALA 192 CO -0.01 0.61 -0.26 0.00 0.00 0.00 0.00 179.25 179.59 1woi h ALA 193 N 1.40 0.93 -0.27 0.00 0.00 -0.92 -0.65 119.26 119.76 1woi h ALA 193 Ca 0.37 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1woi h ALA 193 Cb -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1woi h ALA 193 CO -0.09 0.61 -0.31 0.00 0.00 0.00 0.00 179.25 179.47 1woi h ALA 194 N 1.14 0.40 -0.38 0.00 0.00 -0.60 -2.87 119.26 116.94 1woi h ALA 194 Ca 0.08 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 1woi h ALA 194 Cb 0.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1woi h ALA 194 CO 0.06 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.59 1woi h ARG 195 N 0.41 0.69 -0.14 0.00 3.08 -0.98 -0.94 114.38 116.50 1woi h ARG 195 Ca 0.04 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 1woi h ARG 195 Cb 0.88 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1woi h ARG 195 CO 0.07 0.81 -0.04 0.00 -1.07 0.00 0.00 179.97 179.74 1woi h ALA 196 N 1.22 1.68 -0.08 0.04 0.00 -1.06 0.16 119.26 121.21 1woi h ALA 196 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1woi h ALA 196 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1woi h ALA 196 CO 0.04 0.24 0.00 0.54 0.00 0.00 0.00 179.25 180.07 1woi n ARG 197 N -4.37 1.48 -1.07 0.00 1.74 -0.99 -4.91 116.66 108.53 1woi n ARG 197 Ca -0.01 -0.71 -0.02 0.00 -0.77 0.00 0.00 57.85 56.34 1woi n ARG 197 Cb 0.19 -1.39 -0.01 0.00 -1.02 0.00 0.00 32.46 30.22 1woi n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1woi n GLY 198 N 1.04 0.57 3.76 -0.13 0.00 0.04 -4.89 105.19 105.59 1woi n GLY 198 Ca 0.17 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1woi n GLY 198 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1woi s HIS 199 N -2.08 2.51 -0.25 1.61 3.76 -0.39 -4.85 115.29 115.60 1woi s HIS 199 Ca 0.00 1.54 -0.11 0.00 -0.15 0.00 0.00 55.06 56.34 1woi s HIS 199 Cb 0.00 -3.33 -0.05 0.00 1.11 0.00 0.00 32.58 30.31 1woi s HIS 199 CO 0.00 -1.89 0.18 0.99 -0.85 0.00 0.00 174.74 173.17 1woi s THR 200 N -1.89 5.34 -0.30 1.30 2.01 0.24 -4.64 115.64 117.69 1woi s THR 200 Ca 0.73 0.21 -0.04 0.00 0.31 0.00 0.00 61.69 62.90 1woi s THR 200 Cb -0.25 -3.52 0.04 0.00 0.01 0.00 0.00 72.50 68.77 1woi s THR 200 CO 0.34 0.31 0.03 -0.63 -0.69 0.00 0.00 174.62 173.98 1woi s ILE 201 N 1.26 3.33 -0.39 1.82 1.01 -1.26 -1.23 121.20 125.74 1woi s ILE 201 Ca 0.08 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.57 1woi s ILE 201 Cb -0.14 -2.83 0.10 0.00 0.01 0.00 0.00 42.46 39.60 1woi s ILE 201 CO 0.06 -0.04 0.17 -0.63 0.00 0.00 0.00 174.94 174.51 1woi s ILE 202 N 1.35 3.22 0.60 2.92 1.01 0.74 -4.99 121.20 126.04 1woi s ILE 202 Ca -0.02 -1.99 -0.19 0.00 0.00 0.00 0.00 60.65 58.46 1woi s ILE 202 Cb -0.19 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1woi s ILE 202 CO -0.00 -0.62 1.23 -2.84 0.00 0.00 0.00 174.94 172.71 1woi s PRO 203 N 1.14 2.93 0.50 2.79 0.02 -1.26 -1.28 135.00 139.85 1woi s PRO 203 Ca 0.07 1.88 0.23 0.00 0.02 0.00 0.00 61.00 63.20 1woi s PRO 203 Cb -0.22 -1.93 1.32 0.00 0.02 0.00 0.00 34.50 33.68 1woi s PRO 203 CO -0.04 -1.25 1.96 1.98 -0.33 0.00 0.00 177.00 179.32 1woi h MET 204 N 0.88 0.11 -0.94 5.54 1.85 -0.99 -0.41 114.93 120.96 1woi h MET 204 Ca -0.51 -0.01 0.13 0.00 -0.61 0.00 0.00 59.70 58.71 1woi h MET 204 Cb 1.30 -0.02 -0.09 0.00 0.43 0.00 0.00 31.60 33.22 1woi h MET 204 CO 0.55 0.07 0.56 -0.44 -0.40 0.00 0.00 176.91 177.25 1woi h ASP 205 N 0.11 0.78 0.37 1.39 3.32 -1.90 -0.76 116.42 119.72 1woi h ASP 205 Ca 0.30 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.30 1woi h ASP 205 Cb 1.04 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1woi h ASP 205 CO -0.03 0.39 -0.48 0.44 -1.72 0.00 0.00 179.24 177.84 1woi h ASP 206 N 0.85 0.14 -0.35 6.45 3.32 -1.42 0.42 116.42 125.83 1woi h ASP 206 Ca 0.48 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 1woi h ASP 206 Cb 0.55 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1woi h ASP 206 CO -0.30 0.60 -0.14 0.58 -1.72 0.00 0.00 179.24 178.26 1woi h VAL 207 N 0.11 1.28 -0.20 -1.35 2.07 -1.15 0.27 116.25 117.28 1woi h VAL 207 Ca 0.00 -1.24 -0.13 0.00 0.82 0.00 0.00 66.70 66.15 1woi h VAL 207 Cb 0.88 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1woi h VAL 207 CO 0.07 0.41 -0.42 0.74 0.02 0.00 0.00 177.57 178.38 1woi h THR 208 N 0.49 1.31 -0.01 2.57 2.02 -1.09 -2.97 112.91 115.24 1woi h THR 208 Ca 0.08 -1.60 -0.18 0.00 0.77 0.00 0.00 66.41 65.49 1woi h THR 208 Cb 0.67 1.62 0.01 0.00 -1.74 0.00 0.00 68.15 68.72 1woi h THR 208 CO 0.05 0.49 -0.69 0.00 0.37 0.00 0.00 175.52 175.74 1woi h ALA 209 N 1.16 0.09 -1.03 6.16 0.00 -0.77 -3.44 119.26 121.43 1woi h ALA 209 Ca 0.03 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.25 1woi h ALA 209 Cb 0.91 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.55 1woi h ALA 209 CO 0.08 0.42 -0.47 0.34 0.00 0.00 0.00 179.25 179.61 1woi s ASP 210 N -6.85 -1.42 0.26 0.00 2.15 0.07 -5.02 116.67 105.85 1woi s ASP 210 Ca -0.13 -1.13 -0.05 0.00 0.43 0.00 0.00 52.55 51.68 1woi s ASP 210 Cb 0.04 1.90 0.32 0.00 -0.30 0.00 0.00 42.92 44.87 1woi s ASP 210 CO 0.84 -0.13 1.92 0.25 -0.17 0.00 0.00 175.17 177.88 1woi h LEU 211 N 6.34 1.11 -0.55 -1.34 7.12 -1.65 -2.20 115.31 124.14 1woi h LEU 211 Ca 0.06 -0.02 0.07 0.00 0.13 0.00 0.00 57.88 58.12 1woi h LEU 211 Cb 1.15 -0.26 -0.06 0.00 -0.53 0.00 0.00 40.66 40.96 1woi h LEU 211 CO 0.07 0.78 0.22 0.00 -0.13 0.00 0.00 178.44 179.38 1woi h ALA 212 N 1.40 0.70 -0.85 1.25 0.00 -1.92 -1.07 119.26 118.77 1woi h ALA 212 Ca 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1woi h ALA 212 Cb -0.07 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1woi h ALA 212 CO -0.10 -0.17 0.43 0.78 0.00 0.00 0.00 179.25 180.18 1woi h GLY 213 N 0.42 1.31 0.99 0.00 0.00 -1.78 -1.81 103.07 102.19 1woi h GLY 213 Ca 0.27 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1woi h GLY 213 CO -0.25 0.60 0.30 -2.08 0.00 0.00 0.00 176.54 175.11 1woi h VAL 214 N 1.21 1.20 -0.65 4.60 2.07 -0.90 -2.40 116.25 121.38 1woi h VAL 214 Ca 0.30 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1woi h VAL 214 Cb 0.09 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1woi h VAL 214 CO -0.04 0.22 0.30 -0.07 0.02 0.00 0.00 177.57 178.00 1woi h LEU 215 N 0.78 0.83 -0.32 2.57 3.38 -0.87 -0.73 115.31 120.94 1woi h LEU 215 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1woi h LEU 215 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.61 1woi h LEU 215 CO -0.03 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1woi n ALA 216 N -2.44 1.61 0.57 1.53 0.00 -0.71 -1.75 120.51 119.31 1woi n ALA 216 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.63 1woi n ALA 216 Cb 0.14 -1.29 0.06 0.00 0.00 0.00 0.00 19.45 18.37 1woi n ALA 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1woi n GLN 217 N -1.82 0.29 -1.78 0.00 6.02 -0.29 -4.94 117.38 114.87 1woi n GLN 217 Ca 0.03 0.02 -0.35 0.00 -0.01 0.00 0.00 57.00 56.69 1woi n GLN 217 Cb 0.18 -1.62 0.05 0.00 1.02 0.00 0.00 30.24 29.88 1woi n GLN 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1woi s LEU 218 N -4.01 3.50 0.95 1.08 1.43 -0.71 -4.98 118.68 115.93 1woi s LEU 218 Ca 0.04 2.29 -0.11 0.00 -1.03 0.00 0.00 54.13 55.33 1woi s LEU 218 Cb 0.14 -4.59 0.16 0.00 0.03 0.00 0.00 46.19 41.94 1woi s LEU 218 CO 0.78 -1.81 1.12 -2.16 0.23 0.00 0.00 176.35 174.51 1woi s PRO 219 N -3.68 0.75 -0.07 1.29 0.04 -1.26 -5.05 135.00 127.03 1woi s PRO 219 Ca 0.74 1.41 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 1woi s PRO 219 Cb -0.28 -1.71 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1woi s PRO 219 CO 0.39 -2.77 0.16 1.03 0.04 0.00 0.00 177.00 175.85 1woi s ARG 220 N -4.63 0.15 -1.54 4.56 0.52 -1.26 -4.83 118.95 111.92 1woi s ARG 220 Ca 0.67 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 56.19 1woi s ARG 220 Cb -0.23 -0.03 0.00 0.00 0.52 0.00 0.00 34.95 35.21 1woi s ARG 220 CO 0.59 -0.09 0.00 0.41 0.02 0.00 0.00 175.30 176.23 1woi n GLY 221 N 3.58 0.29 3.73 -3.53 0.00 0.12 -5.00 105.19 104.39 1woi n GLY 221 Ca -0.19 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1woi n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1woi s GLN 222 N -4.40 2.19 -0.35 1.61 -1.52 -1.26 -4.91 119.66 111.03 1woi s GLN 222 Ca 0.00 -1.90 -0.20 0.00 -1.95 0.00 0.00 55.36 51.31 1woi s GLN 222 Cb 0.00 -1.93 0.00 0.00 -0.22 0.00 0.00 33.01 30.86 1woi s GLN 222 CO 0.00 -0.13 0.62 -0.80 -0.25 0.00 0.00 175.29 174.73 1woi s ASN 223 N -3.89 6.42 -0.07 5.90 0.01 -1.26 -0.60 114.94 121.44 1woi s ASN 223 Ca 0.39 0.15 0.04 0.00 -0.71 0.00 0.00 52.86 52.73 1woi s ASN 223 Cb 0.04 -2.32 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 1woi s ASN 223 CO 0.21 -0.57 -0.19 -0.69 -1.51 0.00 0.00 177.10 174.35 1woi s VAL 224 N 2.66 2.58 -0.19 1.60 1.01 -0.55 -0.95 120.40 126.56 1woi s VAL 224 Ca 0.24 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1woi s VAL 224 Cb -0.15 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1woi s VAL 224 CO 0.14 0.57 -0.04 -0.47 0.00 0.00 0.00 175.10 175.30 1woi s TYR 225 N -0.21 2.98 -0.09 5.22 5.04 -0.05 -1.23 117.35 129.01 1woi s TYR 225 Ca -0.01 -0.62 -0.18 0.00 -2.44 0.00 0.00 57.07 53.82 1woi s TYR 225 Cb -0.13 -2.04 -0.05 0.00 0.35 0.00 0.00 41.96 40.09 1woi s TYR 225 CO 0.03 -0.31 0.47 -0.06 -1.34 0.00 0.00 175.55 174.35 1woi s PHE 226 N 0.97 3.57 -0.26 4.97 2.99 -0.40 -1.53 117.98 128.28 1woi s PHE 226 Ca 0.00 0.93 0.01 0.00 0.00 0.00 0.00 56.93 57.88 1woi s PHE 226 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 43.02 40.44 1woi s PHE 226 CO 0.01 0.27 -0.01 0.45 -0.00 0.00 0.00 175.22 175.94 1woi s SER 227 N 0.23 4.02 -0.36 1.36 0.15 -0.48 -0.87 113.70 117.75 1woi s SER 227 Ca 0.26 -1.41 -0.10 0.00 0.70 0.00 0.00 55.95 55.40 1woi s SER 227 Cb -0.16 -1.19 0.03 0.00 -1.71 0.00 0.00 66.02 62.99 1woi s SER 227 CO 0.11 -0.29 0.18 -0.69 1.20 0.00 0.00 173.24 173.75 1woi s VAL 228 N 1.36 4.42 -0.26 4.45 1.01 -0.24 -1.23 120.40 129.91 1woi s VAL 228 Ca -0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.94 1woi s VAL 228 Cb -0.19 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1woi s VAL 228 CO -0.10 -0.20 0.42 -0.62 0.00 0.00 0.00 175.10 174.61 1woi s ASP 229 N 1.53 6.34 0.62 3.32 -1.08 -0.15 -1.10 116.67 126.15 1woi s ASP 229 Ca 0.02 0.40 0.33 0.00 -0.52 0.00 0.00 52.55 52.78 1woi s ASP 229 Cb -0.19 -2.24 1.89 0.00 -1.46 0.00 0.00 42.92 40.93 1woi s ASP 229 CO 0.06 -0.20 2.19 -0.37 0.52 0.00 0.00 175.17 177.37 1woi h VAL 230 N 5.33 0.32 0.00 1.11 -1.51 -1.65 0.08 116.25 119.93 1woi h VAL 230 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 1woi h VAL 230 Cb 1.15 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1woi h VAL 230 CO 0.68 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.12 1woi n ASP 231 N -3.54 0.00 0.16 4.19 5.68 -1.26 -1.55 116.55 120.23 1woi n ASP 231 Ca -0.01 -0.90 0.02 0.00 -0.50 0.00 0.00 54.79 53.40 1woi n ASP 231 Cb 0.20 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.40 1woi n ASP 231 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1woi h GLY 232 N 3.78 0.00 -2.00 6.12 0.00 -1.23 -3.36 103.07 106.38 1woi h GLY 232 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1woi h GLY 232 CO 0.00 0.00 0.30 -1.36 0.00 0.00 0.00 176.54 175.48 1woi s PHE 233 N -3.45 3.44 0.33 5.60 0.40 -0.59 -2.13 117.98 121.57 1woi s PHE 233 Ca 0.00 1.38 -0.29 0.00 -0.60 0.00 0.00 56.93 57.42 1woi s PHE 233 Cb 0.11 -2.71 -0.12 0.00 0.51 0.00 0.00 43.02 40.82 1woi s PHE 233 CO 0.73 -0.26 1.50 -3.47 0.70 0.00 0.00 175.22 174.41 1woi n ASP 234 N -1.36 3.60 0.30 1.36 -0.08 0.13 -4.58 116.55 115.92 1woi n ASP 234 Ca 0.06 1.19 0.17 0.00 -1.51 0.00 0.00 54.79 54.69 1woi n ASP 234 Cb 0.54 -1.58 0.96 0.00 2.34 0.00 0.00 41.12 43.39 1woi n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1woi h PRO 235 N 3.72 0.00 -0.38 -0.67 0.11 -1.77 0.23 132.00 133.24 1woi h PRO 235 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1woi h PRO 235 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1woi h PRO 235 CO 0.71 0.03 -0.12 0.00 -0.21 0.00 0.00 178.00 178.40 1woi h ALA 236 N 1.97 1.07 0.05 -0.75 0.00 -1.95 -1.58 119.26 118.08 1woi h ALA 236 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 1woi h ALA 236 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1woi h ALA 236 CO 0.00 0.57 -0.52 0.28 0.00 0.00 0.00 179.25 179.58 1woi h VAL 237 N 0.62 1.53 -2.90 0.00 2.07 -1.55 -3.42 116.25 112.60 1woi h VAL 237 Ca 0.11 -2.38 -0.61 0.00 0.82 0.00 0.00 66.70 64.64 1woi h VAL 237 Cb 0.57 3.12 -0.40 0.00 -1.52 0.00 0.00 31.29 33.06 1woi h VAL 237 CO 0.04 0.61 -0.72 -0.63 0.02 0.00 0.00 177.57 176.89 1woi s ILE 238 N -2.32 1.89 0.00 4.57 -1.09 -0.07 -4.60 121.20 119.59 1woi s ILE 238 Ca -0.19 -3.42 0.24 0.00 -2.23 0.00 0.00 60.65 55.05 1woi s ILE 238 Cb -0.00 -2.27 0.25 0.00 -1.58 0.00 0.00 42.46 38.86 1woi s ILE 238 CO 0.72 -1.03 1.77 1.55 -1.23 0.00 0.00 174.94 176.72 1woi h PRO 239 N 5.82 0.00 -5.25 2.79 0.13 -1.53 -3.40 132.00 130.56 1woi h PRO 239 Ca 0.13 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.79 1woi h PRO 239 Cb 0.84 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.94 1woi h PRO 239 CO 0.58 0.19 1.58 0.41 -0.23 0.00 0.00 178.00 180.53 1woi n GLY 240 N 0.42 1.70 3.56 1.56 0.00 -1.26 -4.80 105.19 106.38 1woi n GLY 240 Ca 0.01 -0.96 -0.16 0.00 0.00 0.00 0.00 46.02 44.92 1woi n GLY 240 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1woi s THR 241 N 8.47 0.00 0.12 2.61 -1.32 -1.26 -0.50 115.64 123.76 1woi s THR 241 Ca 0.63 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.86 1woi s THR 241 Cb 0.04 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.97 1woi s THR 241 CO 0.12 0.00 1.65 -1.28 -2.21 0.00 0.00 174.62 172.89 1woi h SER 242 N 3.56 -0.67 -2.96 8.08 0.87 -1.77 -3.37 113.55 117.29 1woi h SER 242 Ca -0.27 0.09 -0.62 0.00 -1.23 0.00 0.00 61.79 59.77 1woi h SER 242 Cb 1.15 0.28 -0.42 0.00 -0.44 0.00 0.00 62.40 62.97 1woi h SER 242 CO 0.28 -0.30 -0.62 -1.20 -0.53 0.00 0.00 176.83 174.46 1woi n SER 243 N -5.35 2.67 -4.77 6.23 7.64 -1.26 -4.51 113.62 114.27 1woi n SER 243 Ca -0.05 -3.13 -0.34 0.00 1.01 0.00 0.00 58.87 56.35 1woi n SER 243 Cb 0.27 -0.73 0.02 0.00 -1.01 0.00 0.00 64.21 62.75 1woi n SER 243 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1woi s PRO 244 N -1.36 3.19 -0.05 1.43 0.04 -1.26 -4.99 135.00 132.00 1woi s PRO 244 Ca 0.27 1.55 0.01 0.00 0.04 0.00 0.00 61.00 62.87 1woi s PRO 244 Cb -0.02 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1woi s PRO 244 CO -0.17 -0.97 -0.06 -2.00 0.04 0.00 0.00 177.00 173.84 1woi s GLU 245 N -3.52 0.98 0.95 4.56 2.56 -1.26 -5.08 118.70 117.90 1woi s GLU 245 Ca 0.71 -0.16 -0.11 0.00 0.00 0.00 0.00 54.97 55.41 1woi s GLU 245 Cb -0.23 -0.93 0.16 0.00 2.00 0.00 0.00 34.13 35.13 1woi s GLU 245 CO 0.31 -0.05 1.11 -1.25 -0.56 0.00 0.00 175.26 174.82 1woi s PRO 246 N 0.84 0.78 -0.93 4.30 0.04 -1.26 -4.32 135.00 134.45 1woi s PRO 246 Ca -0.12 1.31 -0.07 0.00 0.04 0.00 0.00 61.00 62.16 1woi s PRO 246 Cb -0.15 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1woi s PRO 246 CO 0.01 -2.72 0.77 -0.25 0.04 0.00 0.00 177.00 174.86 1woi n ASP 247 N -4.27 -6.58 -0.53 6.66 8.00 -1.26 -4.92 116.55 113.65 1woi n ASP 247 Ca 0.09 -0.57 0.00 0.00 0.71 0.00 0.00 54.79 55.02 1woi n ASP 247 Cb 0.53 -4.42 0.00 0.00 -0.02 0.00 0.00 41.12 37.21 1woi n ASP 247 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1woi n GLY 248 N -1.58 4.34 3.77 0.44 0.00 -1.26 -4.95 105.19 105.94 1woi n GLY 248 Ca -0.08 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1woi n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1woi s LEU 249 N 0.00 4.36 0.77 0.99 1.43 -0.91 -4.24 118.68 121.08 1woi s LEU 249 Ca 0.00 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.36 1woi s LEU 249 Cb 0.00 -3.83 0.08 0.00 0.03 0.00 0.00 46.19 42.47 1woi s LEU 249 CO 0.00 -0.45 1.12 0.42 0.23 0.00 0.00 176.35 177.67 1woi s THR 250 N -1.30 2.11 0.17 5.49 -4.23 -1.26 -0.69 115.64 115.94 1woi s THR 250 Ca 0.51 -0.12 -0.13 0.00 -1.18 0.00 0.00 61.69 60.77 1woi s THR 250 Cb -0.32 -2.99 0.06 0.00 1.34 0.00 0.00 72.50 70.59 1woi s THR 250 CO 0.41 0.00 1.78 0.22 -0.54 0.00 0.00 174.62 176.50 1woi h TYR 251 N -0.90 0.75 -0.59 3.99 3.20 -1.97 -2.39 116.97 119.07 1woi h TYR 251 Ca -0.45 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.45 1woi h TYR 251 Cb 1.32 -0.24 -0.05 0.00 1.54 0.00 0.00 36.73 39.30 1woi h TYR 251 CO 0.24 0.54 0.32 0.00 -1.64 0.00 0.00 178.16 177.62 1woi h ALA 252 N 1.14 0.77 -0.11 1.82 0.00 -1.98 -0.13 119.26 120.76 1woi h ALA 252 Ca 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1woi h ALA 252 Cb 0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1woi h ALA 252 CO -0.03 -0.01 0.01 1.96 0.00 0.00 0.00 179.25 181.18 1woi h GLN 253 N 0.60 0.19 -0.95 0.00 4.20 -1.89 0.32 115.11 117.59 1woi h GLN 253 Ca 0.26 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1woi h GLN 253 Cb 0.14 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 1woi h GLN 253 CO -0.16 0.40 0.61 0.78 -0.67 0.00 0.00 178.83 179.79 1woi h GLY 254 N -0.05 1.35 1.40 3.46 0.00 -1.25 -2.12 103.07 105.86 1woi h GLY 254 Ca 0.03 -0.53 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1woi h GLY 254 CO 0.00 0.52 -0.28 1.98 0.00 0.00 0.00 176.54 178.76 1woi h MET 255 N 1.30 0.69 -0.36 4.80 1.85 -0.89 -2.23 114.93 120.09 1woi h MET 255 Ca 0.34 -0.29 -0.04 0.00 -0.61 0.00 0.00 59.70 59.10 1woi h MET 255 Cb -0.11 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 31.88 1woi h MET 255 CO -0.07 0.89 0.05 0.87 -0.40 0.00 0.00 176.91 178.25 1woi h LYS 256 N 0.59 0.54 -0.05 0.39 1.57 -0.38 0.13 116.57 119.37 1woi h LYS 256 Ca 0.07 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1woi h LYS 256 Cb 0.78 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 1woi h LYS 256 CO 0.06 0.52 -0.03 0.82 -0.57 0.00 0.00 179.45 180.25 1woi h ILE 257 N 0.52 1.35 -0.63 1.86 2.04 -1.16 -2.22 117.51 119.27 1woi h ILE 257 Ca 0.12 -1.11 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 1woi h ILE 257 Cb 0.26 2.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1woi h ILE 257 CO 0.00 0.30 0.20 -0.07 0.00 0.00 0.00 178.15 178.58 1woi h LEU 258 N -0.32 0.90 -0.28 1.44 3.38 -1.15 -1.94 115.31 117.34 1woi h LEU 258 Ca 0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.80 1woi h LEU 258 Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1woi h LEU 258 CO 0.01 0.84 0.06 0.00 0.09 0.00 0.00 178.44 179.44 1woi h ALA 259 N 1.28 0.38 -0.18 1.53 0.00 -0.73 -0.01 119.26 121.52 1woi h ALA 259 Ca 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1woi h ALA 259 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1woi h ALA 259 CO -0.01 0.05 0.11 0.00 0.00 0.00 0.00 179.25 179.40 1woi h ALA 260 N 0.88 0.24 -0.42 0.00 0.00 -1.24 -1.25 119.26 117.47 1woi h ALA 260 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1woi h ALA 260 Cb 0.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1woi h ALA 260 CO 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 179.25 178.98 1woi h ALA 261 N 1.03 1.18 0.00 0.00 0.00 -1.30 -2.74 119.26 117.42 1woi h ALA 261 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1woi h ALA 261 Cb 0.02 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1woi h ALA 261 CO -0.01 0.53 -0.38 0.00 0.00 0.00 0.00 179.25 179.39 1woi h ALA 262 N 1.33 1.06 -0.00 0.00 0.00 -0.67 -2.83 119.26 118.15 1woi h ALA 262 Ca 0.13 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1woi h ALA 262 Cb 0.43 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1woi h ALA 262 CO 0.02 0.47 -0.32 0.00 0.00 0.00 0.00 179.25 179.42 1woi n ALA 263 N -2.33 3.13 -0.33 0.00 0.00 -0.50 -4.08 120.51 116.41 1woi n ALA 263 Ca -0.01 -0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.17 1woi n ALA 263 Cb 0.49 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.72 1woi n ALA 263 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1woi n ASN 264 N -1.43 1.65 -3.88 0.00 3.02 -1.14 -4.99 115.26 108.49 1woi n ASN 264 Ca 0.07 -1.94 -0.13 0.00 -0.03 0.00 0.00 54.58 52.55 1woi n ASN 264 Cb 0.33 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.38 1woi n ASN 264 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1woi s ASN 265 N -1.02 0.46 -0.57 6.41 0.01 -1.08 0.15 114.94 119.31 1woi s ASN 265 Ca 0.03 -1.37 -0.15 0.00 -0.71 0.00 0.00 52.86 50.66 1woi s ASN 265 Cb 0.03 0.49 0.14 0.00 0.41 0.00 0.00 41.25 42.32 1woi s ASN 265 CO 0.00 -1.01 0.52 -0.89 -1.51 0.00 0.00 177.10 174.22 1woi s THR 266 N -3.85 5.20 -0.13 1.60 2.01 0.23 -4.87 115.64 115.83 1woi s THR 266 Ca 0.35 -1.64 -0.29 0.00 0.31 0.00 0.00 61.69 60.41 1woi s THR 266 Cb 0.04 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1woi s THR 266 CO 0.15 -0.88 1.36 -0.69 -0.69 0.00 0.00 174.62 173.87 1woi s VAL 267 N 1.41 4.08 -1.65 3.82 1.01 -1.26 -1.48 120.40 126.32 1woi s VAL 267 Ca 0.05 1.32 0.20 0.00 0.00 0.00 0.00 61.98 63.55 1woi s VAL 267 Cb -0.27 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.22 1woi s VAL 267 CO 0.01 -0.11 0.96 1.33 0.00 0.00 0.00 175.10 177.29 1woi n VAL 268 N 5.33 0.00 0.00 2.92 0.24 -0.36 -4.84 118.33 121.61 1woi n VAL 268 Ca 0.15 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.19 1woi n VAL 268 Cb 0.44 1.19 0.00 0.00 -1.47 0.00 0.00 33.84 34.01 1woi n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1woi n GLY 269 N 1.32 0.66 3.61 7.63 0.00 -1.25 -4.31 105.19 112.85 1woi n GLY 269 Ca 0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 1woi n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1woi s LEU 270 N 0.00 -0.72 0.14 0.99 0.20 -0.90 -1.27 118.68 117.11 1woi s LEU 270 Ca 0.00 1.32 0.09 0.00 0.69 0.00 0.00 54.13 56.23 1woi s LEU 270 Cb 0.00 2.46 -0.04 0.00 -0.43 0.00 0.00 46.19 48.18 1woi s LEU 270 CO 0.00 -0.30 -0.21 1.51 -0.29 0.00 0.00 176.35 177.06 1woi s ASP 271 N 0.14 2.84 -0.25 3.68 1.47 -0.05 -0.32 116.67 124.18 1woi s ASP 271 Ca -0.02 -0.78 0.00 0.00 1.18 0.00 0.00 52.55 52.94 1woi s ASP 271 Cb -0.04 -0.17 0.07 0.00 -0.34 0.00 0.00 42.92 42.43 1woi s ASP 271 CO 0.02 0.06 -0.01 -0.22 0.68 0.00 0.00 175.17 175.70 1woi s LEU 272 N -2.28 2.55 0.34 2.11 1.98 -0.02 -1.08 118.68 122.27 1woi s LEU 272 Ca 0.13 -1.29 0.07 0.00 -2.89 0.00 0.00 54.13 50.15 1woi s LEU 272 Cb -0.08 -1.10 -0.07 0.00 0.66 0.00 0.00 46.19 45.60 1woi s LEU 272 CO 0.06 -0.28 -0.04 0.68 -1.89 0.00 0.00 176.35 174.88 1woi s VAL 273 N 1.44 1.86 -0.46 1.68 -7.23 -0.26 -0.33 120.40 117.10 1woi s VAL 273 Ca -0.01 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1woi s VAL 273 Cb -0.18 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1woi s VAL 273 CO -0.09 -0.16 0.00 -0.62 -0.31 0.00 0.00 175.10 173.92 1woi n GLU 274 N -0.75 -0.85 -2.39 4.82 -0.58 -0.21 -1.80 120.64 118.88 1woi n GLU 274 Ca -0.05 0.51 -0.42 0.00 -0.42 0.00 0.00 57.16 56.78 1woi n GLU 274 Cb 0.65 -4.32 -0.03 0.00 -0.57 0.00 0.00 31.44 27.17 1woi n GLU 274 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1woi s LEU 275 N -0.99 4.41 -0.49 -4.62 0.20 -1.26 -4.29 118.68 111.63 1woi s LEU 275 Ca 0.00 2.13 0.03 0.00 0.69 0.00 0.00 54.13 56.98 1woi s LEU 275 Cb 0.00 -3.59 0.14 0.00 -0.43 0.00 0.00 46.19 42.31 1woi s LEU 275 CO 0.00 -0.43 0.28 0.00 -0.29 0.00 0.00 176.35 175.91 1woi s ALA 276 N 0.57 2.67 0.38 5.97 0.00 0.34 -3.78 121.76 127.91 1woi s ALA 276 Ca 0.56 -2.95 0.12 0.00 0.00 0.00 0.00 51.96 49.69 1woi s ALA 276 Cb -0.31 -1.99 0.91 0.00 0.00 0.00 0.00 23.12 21.72 1woi s ALA 276 CO 0.32 -2.05 1.87 -1.35 0.00 0.00 0.00 175.76 174.56 1woi h PRO 277 N 6.44 0.57 0.00 0.00 0.11 -1.81 -0.71 132.00 136.60 1woi h PRO 277 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 1woi h PRO 277 Cb 0.89 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1woi h PRO 277 CO 0.57 0.38 0.00 -2.95 -0.21 0.00 0.00 178.00 175.79 1woi h ASN 278 N 0.59 0.00 -0.33 -2.05 -1.07 -1.94 -2.51 115.58 108.27 1woi h ASN 278 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.81 1woi h ASN 278 Cb 0.83 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.08 1woi h ASN 278 CO -0.19 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.49 1woi n LEU 279 N -2.42 3.14 -3.46 6.14 4.77 -0.27 -4.67 117.00 120.23 1woi n LEU 279 Ca 0.01 -1.33 -0.29 0.00 -0.03 0.00 0.00 56.01 54.37 1woi n LEU 279 Cb 0.18 -0.21 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1woi n LEU 279 CO 0.18 0.67 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.97 1woi s ASP 280 N -1.53 2.68 0.00 -1.43 3.68 -0.94 -4.33 116.67 114.79 1woi s ASP 280 Ca 0.37 -2.39 0.14 0.00 2.13 0.00 0.00 52.55 52.81 1woi s ASP 280 Cb 0.22 -0.43 0.72 0.00 -1.45 0.00 0.00 42.92 41.98 1woi s ASP 280 CO 0.31 -0.28 1.37 -0.81 0.13 0.00 0.00 175.17 175.89 1woi n PRO 281 N 3.78 0.21 0.13 4.34 -0.04 -1.26 -1.76 135.00 140.40 1woi n PRO 281 Ca 0.16 0.14 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1woi n PRO 281 Cb 0.39 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.57 1woi n PRO 281 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1woi h THR 282 N 0.00 0.00 0.00 0.52 1.35 -1.94 -3.47 112.91 109.37 1woi h THR 282 Ca 0.00 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 1woi h THR 282 Cb 0.13 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1woi h THR 282 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1woi n GLY 283 N 1.23 0.73 0.23 5.82 0.00 -0.72 -4.88 105.19 107.59 1woi n GLY 283 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 1woi n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woi h ARG 284 N 1.97 0.22 -0.03 1.61 0.11 -1.92 -2.88 114.38 113.45 1woi h ARG 284 Ca 0.00 -0.06 0.03 0.00 0.10 0.00 0.00 59.98 60.05 1woi h ARG 284 Cb 0.00 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.01 1woi h ARG 284 CO 0.00 0.41 -0.24 0.77 0.10 0.00 0.00 179.97 181.01 1woi h SER 285 N 0.20 -0.71 0.00 0.08 0.02 -1.89 0.14 113.55 111.40 1woi h SER 285 Ca 0.04 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.95 1woi h SER 285 Cb 0.47 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.30 1woi h SER 285 CO 0.03 -0.30 -0.43 1.05 -1.14 0.00 0.00 176.83 176.04 1woi h GLU 286 N -0.36 0.52 -0.19 3.45 9.09 -1.92 -1.27 114.58 123.90 1woi h GLU 286 Ca 0.07 -0.28 -0.01 0.00 0.05 0.00 0.00 59.36 59.20 1woi h GLU 286 Cb 0.45 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.56 1woi h GLU 286 CO -0.23 0.86 0.08 -0.07 0.05 0.00 0.00 179.01 179.69 1woi h LEU 287 N 0.43 0.26 -0.72 3.06 3.38 -1.23 -0.70 115.31 119.78 1woi h LEU 287 Ca 0.03 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.72 1woi h LEU 287 Cb 0.93 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1woi h LEU 287 CO 0.08 0.33 -0.52 -0.07 0.09 0.00 0.00 178.44 178.35 1woi h LEU 288 N 0.16 0.34 -0.34 1.67 4.07 -0.67 -2.56 115.31 117.98 1woi h LEU 288 Ca 0.06 -0.17 -0.11 0.00 0.08 0.00 0.00 57.88 57.74 1woi h LEU 288 Cb 0.15 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 1woi h LEU 288 CO -0.01 0.80 -0.51 -0.03 -1.08 0.00 0.00 178.44 177.61 1woi h MET 289 N 0.24 0.00 -0.24 1.13 4.05 -1.13 -1.46 114.93 117.52 1woi h MET 289 Ca 0.01 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.23 1woi h MET 289 Cb 1.00 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1woi h MET 289 CO 0.08 0.51 -0.62 0.00 0.23 0.00 0.00 176.91 177.12 1woi h ALA 290 N 1.49 0.43 -0.40 0.39 0.00 -1.03 -2.75 119.26 117.39 1woi h ALA 290 Ca -0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 1woi h ALA 290 Cb 1.25 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1woi h ALA 290 CO 0.07 0.68 -0.07 -0.09 0.00 0.00 0.00 179.25 179.84 1woi h ARG 291 N 0.62 0.68 -0.37 0.00 2.43 -1.33 -2.52 114.38 113.89 1woi h ARG 291 Ca -0.01 -0.20 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 1woi h ARG 291 Cb 1.23 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.68 1woi h ARG 291 CO 0.13 0.75 0.18 1.25 -1.51 0.00 0.00 179.97 180.78 1woi h LEU 292 N 0.63 0.26 -0.19 3.80 5.85 -1.10 0.40 115.31 124.96 1woi h LEU 292 Ca 0.12 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1woi h LEU 292 Cb 0.50 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1woi h LEU 292 CO 0.03 0.19 0.11 0.58 -0.34 0.00 0.00 178.44 179.02 1woi h VAL 293 N 0.37 1.07 -0.59 1.05 2.07 -1.28 0.13 116.25 119.08 1woi h VAL 293 Ca 0.16 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1woi h VAL 293 Cb 0.07 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1woi h VAL 293 CO -0.11 0.07 0.21 0.24 0.02 0.00 0.00 177.57 177.99 1woi h MET 294 N 0.23 0.90 -0.37 1.57 2.86 -1.11 -1.19 114.93 117.82 1woi h MET 294 Ca 0.07 -0.18 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1woi h MET 294 Cb 0.01 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1woi h MET 294 CO -0.01 0.79 -0.24 1.49 1.06 0.00 0.00 176.91 180.00 1woi h GLU 295 N 0.82 0.75 -0.75 1.72 4.81 0.00 -0.94 114.58 120.99 1woi h GLU 295 Ca 0.19 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1woi h GLU 295 Cb 0.25 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1woi h GLU 295 CO -0.01 0.91 0.29 1.15 -0.73 0.00 0.00 179.01 180.62 1woi h THR 296 N 0.65 1.26 -0.74 0.32 2.02 -0.49 -1.67 112.91 114.25 1woi h THR 296 Ca 0.09 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 1woi h THR 296 Cb 0.74 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1woi h THR 296 CO 0.06 0.33 0.36 -0.07 0.37 0.00 0.00 175.52 176.56 1woi h LEU 297 N 1.09 0.96 -0.40 2.58 3.38 -0.79 0.18 115.31 122.30 1woi h LEU 297 Ca 0.25 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.14 1woi h LEU 297 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1woi h LEU 297 CO -0.02 0.81 0.20 0.00 0.09 0.00 0.00 178.44 179.52 1woi h GLU 299 N 0.40 0.74 0.43 0.00 4.39 -0.50 -2.81 114.58 117.22 1woi h GLU 299 Ca 0.17 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1woi h GLU 299 Cb 0.08 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1woi h GLU 299 CO -0.12 0.66 -0.31 0.28 -1.16 0.00 0.00 179.01 178.36 1woi h VAL 300 N 0.65 0.37 0.00 3.13 2.07 -0.09 -2.75 116.25 119.63 1woi h VAL 300 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1woi h VAL 300 Cb 0.20 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1woi h VAL 300 CO -0.01 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.07 1woi n PHE 301 N -5.43 0.00 1.18 1.57 3.01 -0.50 -2.15 117.46 115.14 1woi n PHE 301 Ca -0.11 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.48 1woi n PHE 301 Cb 0.33 -0.07 0.40 0.00 -0.01 0.00 0.00 39.48 40.13 1woi n PHE 301 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1woi n ASP 302 N -1.07 0.68 -2.71 4.37 10.43 -1.04 -4.11 116.55 123.10 1woi n ASP 302 Ca 0.14 -0.54 -0.06 0.00 2.57 0.00 0.00 54.79 56.90 1woi n ASP 302 Cb 0.09 0.09 0.04 0.00 1.84 0.00 0.00 41.12 43.18 1woi n ASP 302 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1woi n HIS 303 N -1.03 1.33 -3.47 1.24 8.25 -0.91 -5.09 115.22 115.53 1woi n HIS 303 Ca 0.10 -2.51 -0.37 0.00 -0.26 0.00 0.00 57.72 54.68 1woi n HIS 303 Cb 0.33 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 1woi n HIS 303 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1woi s VAL 304 N -3.54 5.26 0.00 1.59 1.01 -1.24 -4.95 120.40 118.53 1woi s VAL 304 Ca 0.28 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1woi s VAL 304 Cb 0.40 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1woi s VAL 304 CO -0.00 0.33 0.41 0.18 0.00 0.00 0.00 175.10 176.02