#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woi s PRO 4 N 0.00 2.51 0.07 1.61 0.04 -1.26 -5.02 135.00 132.94 1woi s PRO 4 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.12 1woi s PRO 4 Cb 0.00 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1woi s PRO 4 CO 0.00 -1.62 -0.09 0.00 0.04 0.00 0.00 177.00 175.32 1woi s ALA 5 N -1.47 2.95 0.61 8.56 0.00 -1.26 -5.11 121.76 126.05 1woi s ALA 5 Ca 0.82 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 1woi s ALA 5 Cb -0.36 -0.96 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 1woi s ALA 5 CO 0.40 0.63 1.17 -1.01 0.00 0.00 0.00 175.76 176.95 1woi s HIS 6 N -1.13 2.46 0.65 0.00 3.76 -1.26 -5.04 115.29 114.72 1woi s HIS 6 Ca 0.20 1.54 -0.05 0.00 -0.15 0.00 0.00 55.06 56.60 1woi s HIS 6 Cb -0.11 -3.37 0.05 0.00 1.11 0.00 0.00 32.58 30.25 1woi s HIS 6 CO 0.11 -2.01 0.94 -0.51 -0.85 0.00 0.00 174.74 172.42 1woi s LEU 7 N -4.31 3.00 0.43 0.89 2.01 -1.26 -4.92 118.68 114.51 1woi s LEU 7 Ca 0.74 0.39 0.18 0.00 0.01 0.00 0.00 54.13 55.45 1woi s LEU 7 Cb -0.27 -3.12 1.11 0.00 0.01 0.00 0.00 46.19 43.92 1woi s LEU 7 CO 0.35 -1.40 1.87 -0.65 1.01 0.00 0.00 176.35 177.53 1woi h PRO 8 N -0.37 0.37 -0.06 1.29 0.11 -1.97 0.15 132.00 131.52 1woi h PRO 8 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1woi h PRO 8 Cb 1.30 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1woi h PRO 8 CO 0.59 0.24 0.00 2.48 -0.21 0.00 0.00 178.00 181.10 1woi n TYR 9 N -4.49 0.07 -4.13 0.65 4.11 -1.26 -4.87 117.16 107.24 1woi n TYR 9 Ca 0.18 -0.03 -0.28 0.00 -0.00 0.00 0.00 57.90 57.77 1woi n TYR 9 Cb 0.69 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.95 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 -1.77 1.82 0.00 -7.48 0.00 0.04 -5.05 107.32 94.88 1woi s GLY 10 Ca 0.36 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1woi s GLY 10 CO 0.29 -1.21 0.00 0.61 0.00 0.00 0.00 173.10 172.80 1woi n GLY 11 N 0.13 -0.78 3.71 0.20 0.00 -1.26 -4.64 105.19 102.54 1woi n GLY 11 Ca -0.10 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.93 4.67 -0.88 -0.61 -1.09 -1.26 -4.97 121.20 115.14 1woi s ILE 12 Ca 0.00 1.92 -0.25 0.00 -2.23 0.00 0.00 60.65 60.09 1woi s ILE 12 Cb 0.00 -4.23 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1woi s ILE 12 CO 0.00 0.12 1.55 -2.16 -1.23 0.00 0.00 174.94 173.22 1woi s PRO 13 N 1.24 3.18 0.22 2.79 0.04 -1.26 -4.93 135.00 136.29 1woi s PRO 13 Ca 0.53 -0.54 0.08 0.00 0.04 0.00 0.00 61.00 61.11 1woi s PRO 13 Cb -0.22 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.38 1woi s PRO 13 CO 0.26 -2.48 0.02 0.95 0.04 0.00 0.00 177.00 175.80 1woi s THR 14 N 6.60 3.70 0.10 1.26 -4.23 -1.26 -4.69 115.64 117.13 1woi s THR 14 Ca 0.50 -1.60 -0.31 0.00 -1.18 0.00 0.00 61.69 59.10 1woi s THR 14 Cb -0.05 -2.92 -0.10 0.00 1.34 0.00 0.00 72.50 70.77 1woi s THR 14 CO 0.02 -0.24 1.84 0.12 -0.54 0.00 0.00 174.62 175.82 1woi s PHE 15 N -2.00 2.02 -1.58 3.99 5.36 -1.26 -1.26 117.98 123.25 1woi s PHE 15 Ca 0.29 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 56.19 1woi s PHE 15 Cb -0.08 -4.17 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 1woi s PHE 15 CO 0.20 -4.91 0.00 0.00 -1.46 0.00 0.00 175.22 169.05 1woi n ALA 16 N 6.00 -0.59 -2.63 11.12 0.00 -1.26 -1.26 120.51 131.89 1woi n ALA 16 Ca 0.18 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 1woi n ALA 16 Cb 0.39 -1.89 -0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 -2.76 -2.61 -2.02 0.00 0.63 -0.39 -4.75 116.66 104.76 1woi n ARG 17 Ca -0.20 0.72 -0.31 0.00 -0.92 0.00 0.00 57.85 57.14 1woi n ARG 17 Cb 0.64 -5.39 0.00 0.00 0.45 0.00 0.00 32.46 28.16 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 -2.84 3.01 0.52 5.13 0.00 -0.39 -4.96 121.76 122.24 1woi s ALA 18 Ca 0.09 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 1woi s ALA 18 Cb -0.05 -3.12 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1woi s ALA 18 CO 0.12 -0.61 1.20 -1.25 0.00 0.00 0.00 175.76 175.22 1woi s PRO 19 N -4.71 3.42 0.16 0.00 0.04 -1.26 -4.55 135.00 128.09 1woi s PRO 19 Ca 0.57 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 63.19 1woi s PRO 19 Cb -0.11 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1woi s PRO 19 CO 0.45 -0.85 0.79 -1.17 0.04 0.00 0.00 177.00 176.26 1woi s LEU 20 N -3.46 4.58 0.18 -3.56 2.96 -1.26 -1.05 118.68 117.07 1woi s LEU 20 Ca 0.69 1.65 -0.02 0.00 -0.22 0.00 0.00 54.13 56.23 1woi s LEU 20 Cb -0.30 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.04 1woi s LEU 20 CO 0.35 0.18 0.15 0.68 -1.32 0.00 0.00 176.35 176.39 1woi s VAL 21 N -1.01 0.03 -0.10 1.68 -7.23 -0.04 -4.90 120.40 108.84 1woi s VAL 21 Ca 0.37 -1.90 -0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1woi s VAL 21 Cb -0.23 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.35 1woi s VAL 21 CO 0.26 -0.14 0.11 -1.10 -0.31 0.00 0.00 175.10 173.93 1woi s GLN 22 N -4.11 3.32 0.30 4.82 -1.52 -1.26 -4.11 119.66 117.10 1woi s GLN 22 Ca 0.33 -0.23 0.05 0.00 -1.95 0.00 0.00 55.36 53.56 1woi s GLN 22 Cb 0.06 -3.08 0.80 0.00 -0.22 0.00 0.00 33.01 30.58 1woi s GLN 22 CO 0.08 0.75 1.67 -1.35 -0.25 0.00 0.00 175.29 176.19 1woi h PRO 23 N 4.86 0.29 -0.72 2.91 0.11 -1.95 0.15 132.00 137.65 1woi h PRO 23 Ca -0.53 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.36 1woi h PRO 23 Cb 1.22 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.14 1woi h PRO 23 CO 0.58 0.19 0.25 -0.40 -0.21 0.00 0.00 178.00 178.41 1woi n ASP 24 N -5.13 4.84 -4.29 -2.05 5.75 -1.26 -4.19 116.55 110.23 1woi n ASP 24 Ca 0.24 -3.22 -0.29 0.00 -0.01 0.00 0.00 54.79 51.51 1woi n ASP 24 Cb 0.74 -0.74 0.17 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.08 1.76 -1.17 6.12 0.00 0.52 -4.99 107.32 108.48 1woi s GLY 25 Ca 0.55 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 43.98 1woi s GLY 25 CO 0.13 -0.47 1.31 1.34 0.00 0.00 0.00 173.10 175.41 1woi n ASP 26 N -3.62 5.37 -4.04 1.64 2.03 -1.26 -4.96 116.55 111.71 1woi n ASP 26 Ca 0.14 -3.01 -0.10 0.00 0.52 0.00 0.00 54.79 52.34 1woi n ASP 26 Cb 0.60 -1.48 -0.07 0.00 -0.72 0.00 0.00 41.12 39.44 1woi n ASP 26 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1woi s TRP 27 N 0.27 0.58 -0.13 -0.67 1.48 -1.26 -5.13 118.94 114.07 1woi s TRP 27 Ca 0.38 -0.90 -0.17 0.00 -1.06 0.00 0.00 56.10 54.35 1woi s TRP 27 Cb -0.06 -0.05 0.04 0.00 -1.16 0.00 0.00 33.47 32.25 1woi s TRP 27 CO -0.03 -0.85 0.45 -0.65 -4.06 0.00 0.00 176.95 171.80 1woi s GLN 28 N -4.05 0.60 -0.00 3.25 -0.21 -1.26 -4.84 119.66 113.15 1woi s GLN 28 Ca 0.26 0.45 -0.29 0.00 0.02 0.00 0.00 55.36 55.80 1woi s GLN 28 Cb 0.02 0.29 0.08 0.00 1.00 0.00 0.00 33.01 34.39 1woi s GLN 28 CO 0.08 -0.11 0.71 0.00 -2.12 0.00 0.00 175.29 173.86 1woi s ALA 29 N -0.16 -1.75 0.17 6.09 0.00 -0.74 -5.01 121.76 120.36 1woi s ALA 29 Ca -0.03 1.10 -0.12 0.00 0.00 0.00 0.00 51.96 52.91 1woi s ALA 29 Cb -0.03 0.19 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1woi s ALA 29 CO 0.02 -0.50 1.73 -0.44 0.00 0.00 0.00 175.76 176.58 1woi h ASP 30 N 2.60 0.78 -3.88 0.00 3.32 -1.78 -3.02 116.42 114.44 1woi h ASP 30 Ca -0.27 -0.16 -0.48 0.00 0.02 0.00 0.00 57.03 56.13 1woi h ASP 30 Cb 1.20 -0.20 -0.31 0.00 0.22 0.00 0.00 39.33 40.24 1woi h ASP 30 CO 0.37 0.72 -0.81 -0.69 -1.72 0.00 0.00 179.24 177.12 1woi s VAL 31 N -5.60 1.06 -0.02 -1.35 1.01 -0.41 -1.17 120.40 113.90 1woi s VAL 31 Ca -0.13 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1woi s VAL 31 Cb 0.13 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.60 1woi s VAL 31 CO 0.79 0.31 -0.03 0.00 0.00 0.00 0.00 175.10 176.17 1woi s ALA 32 N 0.09 0.48 -0.02 5.51 0.00 -1.18 -1.31 121.76 125.33 1woi s ALA 32 Ca -0.03 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.87 1woi s ALA 32 Cb -0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1woi s ALA 32 CO 0.01 0.02 0.12 0.00 0.00 0.00 0.00 175.76 175.90 1woi s ALA 33 N 0.56 3.72 -0.03 0.00 0.00 -0.22 -0.76 121.76 125.03 1woi s ALA 33 Ca -0.06 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 1woi s ALA 33 Cb -0.10 -1.71 0.03 0.00 0.00 0.00 0.00 23.12 21.34 1woi s ALA 33 CO -0.00 0.70 0.03 -1.17 0.00 0.00 0.00 175.76 175.31 1woi s LEU 34 N -1.70 0.84 0.12 0.00 2.96 -0.11 -0.69 118.68 120.12 1woi s LEU 34 Ca 0.23 0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 1woi s LEU 34 Cb -0.12 -0.14 -0.06 0.00 0.50 0.00 0.00 46.19 46.37 1woi s LEU 34 CO 0.14 -0.15 0.40 -0.83 -1.32 0.00 0.00 176.35 174.59 1woi s GLY 35 N 1.37 2.28 -0.49 7.98 0.00 0.10 -1.18 107.32 117.39 1woi s GLY 35 Ca -0.05 -0.46 0.04 0.00 0.00 0.00 0.00 44.72 44.25 1woi s GLY 35 CO -0.03 -0.31 0.36 0.14 0.00 0.00 0.00 173.10 173.26 1woi s VAL 36 N -1.57 1.15 -1.27 1.40 1.01 0.49 -1.20 120.40 120.41 1woi s VAL 36 Ca 0.38 -3.02 -0.13 0.00 0.00 0.00 0.00 61.98 59.22 1woi s VAL 36 Cb -0.13 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 1woi s VAL 36 CO 0.21 -1.11 2.36 -0.81 0.00 0.00 0.00 175.10 175.75 1woi n PRO 37 N 2.78 2.69 -4.38 2.72 -0.04 -1.26 -3.10 135.00 134.40 1woi n PRO 37 Ca 0.23 -2.12 -0.33 0.00 -0.04 0.00 0.00 63.50 61.25 1woi n PRO 37 Cb 0.42 -2.91 -0.16 0.00 -0.04 0.00 0.00 33.50 30.80 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 3.29 2.73 0.00 0.54 5.36 -1.26 -4.71 117.98 123.92 1woi s PHE 38 Ca 0.54 -1.50 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 1woi s PHE 38 Cb 0.14 -1.87 0.00 0.00 -0.34 0.00 0.00 43.02 40.96 1woi s PHE 38 CO -0.03 -0.72 0.78 -0.40 -1.46 0.00 0.00 175.22 173.39 1woi n ASP 39 N 4.36 0.00 -0.00 6.13 5.68 -1.26 -0.19 116.55 131.26 1woi n ASP 39 Ca -0.21 -1.58 0.16 0.00 -0.50 0.00 0.00 54.79 52.66 1woi n ASP 39 Cb 0.51 -0.12 0.94 0.00 -1.14 0.00 0.00 41.12 41.31 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 0.00 0.00 0.66 2.12 -5.35 -1.26 -3.41 119.36 112.12 1woi n ILE 40 Ca 0.00 -0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.59 1woi n ILE 40 Cb 0.62 -0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 37.99 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 -1.01 3.78 -1.51 -1.28 0.00 -1.26 -4.96 120.51 114.26 1woi n ALA 41 Ca 0.23 -0.48 -0.32 0.00 0.00 0.00 0.00 53.44 52.88 1woi n ALA 41 Cb 0.12 -0.89 0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.63 3.22 -0.08 0.00 0.05 -1.22 -3.18 118.68 113.84 1woi s LEU 42 Ca 0.04 1.75 0.17 0.00 0.05 0.00 0.00 54.13 56.14 1woi s LEU 42 Cb 0.15 -4.52 0.59 0.00 -2.05 0.00 0.00 46.19 40.36 1woi s LEU 42 CO 0.83 -1.54 1.50 0.61 -0.55 0.00 0.00 176.35 177.21 1woi n GLY 43 N -1.43 2.88 0.00 -3.48 0.00 -1.26 -4.94 105.19 96.96 1woi n GLY 43 Ca 0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 0.87 0.00 -3.52 1.61 -0.00 -1.26 -5.11 117.46 110.05 1woi n PHE 44 Ca 0.22 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.28 1woi n PHE 44 Cb 0.74 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 40.11 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 1.11 3.85 0.90 -4.13 0.52 -1.26 -5.08 118.95 114.86 1woi s ARG 45 Ca 0.00 -0.32 -0.12 0.00 -0.52 0.00 0.00 55.73 54.77 1woi s ARG 45 Cb 0.00 -3.70 0.13 0.00 0.52 0.00 0.00 34.95 31.90 1woi s ARG 45 CO 0.00 -0.28 1.12 -1.25 0.02 0.00 0.00 175.30 174.91 1woi s PRO 46 N 1.84 1.21 0.00 3.54 0.04 -1.26 -4.46 135.00 135.91 1woi s PRO 46 Ca 0.09 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1woi s PRO 46 Cb -0.16 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1woi s PRO 46 CO 0.11 -2.18 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1woi n GLY 47 N -1.92 0.96 0.20 0.56 0.00 -1.26 -4.95 105.19 98.78 1woi n GLY 47 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 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 1.00 0.00 4.61 0.00 -1.86 -0.01 119.26 123.00 1woi h ALA 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 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 0.00 -0.04 0.07 0.00 0.00 0.00 179.25 179.28 1woi h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.84 -0.43 114.38 112.21 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 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 1woi h ARG 49 CO 0.00 0.04 -0.40 1.19 0.10 0.00 0.00 179.97 180.90 1woi n PHE 50 N -3.25 0.00 -0.11 4.08 3.72 -0.02 -4.44 117.46 117.45 1woi n PHE 50 Ca -0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.30 1woi n PHE 50 Cb 0.22 -0.15 -0.01 0.00 -0.94 0.00 0.00 39.48 38.60 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 3.42 0.44 -0.57 4.37 0.00 -1.45 -2.32 119.26 123.15 1woi h ALA 51 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1woi h ALA 51 Cb 0.52 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1woi h ALA 51 CO 0.00 -0.05 0.08 -1.35 0.00 0.00 0.00 179.25 177.93 1woi h PRO 52 N 0.43 0.20 -0.60 0.00 0.11 -1.76 0.34 132.00 130.72 1woi h PRO 52 Ca 0.12 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.13 1woi h PRO 52 Cb 0.04 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.08 1woi h PRO 52 CO -0.02 0.13 0.01 -0.09 -0.21 0.00 0.00 178.00 177.82 1woi h ARG 53 N 0.21 1.05 -0.55 1.05 2.43 -1.85 -1.01 114.38 115.71 1woi h ARG 53 Ca 0.30 -0.32 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1woi h ARG 53 Cb 0.45 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 1woi h ARG 53 CO -0.42 1.02 -0.05 0.00 -1.51 0.00 0.00 179.97 179.01 1woi h ALA 54 N 1.04 0.87 -0.48 2.80 0.00 -0.71 -1.27 119.26 121.52 1woi h ALA 54 Ca 0.17 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1woi h ALA 54 Cb 0.54 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1woi h ALA 54 CO 0.03 0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 179.65 1woi h LEU 55 N 0.90 0.99 -0.24 0.00 3.38 -0.17 0.04 115.31 120.21 1woi h LEU 55 Ca 0.15 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1woi h LEU 55 Cb 0.59 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1woi h LEU 55 CO 0.04 1.16 0.12 0.03 0.09 0.00 0.00 178.44 179.88 1woi h ARG 56 N 0.84 0.34 -0.54 1.13 3.08 -0.99 0.43 114.38 118.67 1woi h ARG 56 Ca 0.11 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 1woi h ARG 56 Cb 0.78 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1woi h ARG 56 CO 0.06 0.33 0.26 0.93 -1.07 0.00 0.00 179.97 180.49 1woi h GLU 57 N 0.27 0.79 0.00 0.04 5.08 -1.07 -2.61 114.58 117.07 1woi h GLU 57 Ca 0.08 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1woi h GLU 57 Cb 0.10 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1woi h GLU 57 CO -0.01 0.65 -0.34 0.00 -1.00 0.00 0.00 179.01 178.31 1woi h ALA 58 N 1.09 1.19 0.00 3.43 0.00 -0.82 -2.76 119.26 121.39 1woi h ALA 58 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1woi h ALA 58 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1woi h ALA 58 CO -0.02 0.43 0.00 0.66 0.00 0.00 0.00 179.25 180.32 1woi h SER 59 N 0.00 0.00 0.29 0.00 4.64 -0.51 -2.34 113.55 115.63 1woi h SER 59 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1woi h SER 59 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1woi h SER 59 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1woi n LEU 60 N -2.67 0.00 -0.24 5.97 4.77 -1.04 -0.12 117.00 123.67 1woi n LEU 60 Ca 0.00 0.48 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 1woi n LEU 60 Cb 0.20 -0.48 0.16 0.00 -2.33 0.00 0.00 43.42 40.97 1woi n LEU 60 CO 0.21 -0.34 0.40 0.54 -1.33 0.00 0.00 177.39 176.87 1woi n ARG 61 N -1.48 0.66 -2.93 3.23 5.12 -0.88 -4.42 116.66 115.96 1woi n ARG 61 Ca 0.02 -0.48 -0.20 0.00 -1.93 0.00 0.00 57.85 55.27 1woi n ARG 61 Cb 0.10 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 29.89 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 -0.75 2.47 -4.67 0.55 7.64 0.83 -5.08 113.62 114.60 1woi n SER 62 Ca 0.09 -3.24 -0.41 0.00 1.01 0.00 0.00 58.87 56.32 1woi n SER 62 Cb 0.38 -0.57 -0.04 0.00 -1.01 0.00 0.00 64.21 62.97 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 -3.53 4.88 0.84 0.44 1.01 -1.23 -4.85 120.40 117.97 1woi s VAL 63 Ca 0.41 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 1woi s VAL 63 Cb 0.36 -4.15 0.10 0.00 0.00 0.00 0.00 36.38 32.69 1woi s VAL 63 CO -0.09 0.04 1.09 -2.16 0.00 0.00 0.00 175.10 173.98 1woi s PRO 64 N 2.05 1.72 0.88 2.72 0.04 -1.26 -4.72 135.00 136.43 1woi s PRO 64 Ca 0.39 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 62.13 1woi s PRO 64 Cb -0.17 -1.86 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1woi s PRO 64 CO 0.13 -1.92 1.24 -1.25 0.04 0.00 0.00 177.00 175.24 1woi s PRO 65 N -4.99 1.18 -0.09 0.56 0.04 -1.26 -5.10 135.00 125.32 1woi s PRO 65 Ca 0.62 -0.32 0.02 0.00 0.04 0.00 0.00 61.00 61.36 1woi s PRO 65 Cb -0.17 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1woi s PRO 65 CO 0.56 -2.04 -0.16 -0.06 0.04 0.00 0.00 177.00 175.33 1woi s PHE 66 N -3.70 1.95 -0.31 0.56 0.40 -0.59 -4.97 117.98 111.32 1woi s PHE 66 Ca 0.69 -0.82 -0.09 0.00 -0.60 0.00 0.00 56.93 56.11 1woi s PHE 66 Cb -0.06 -1.38 0.00 0.00 0.51 0.00 0.00 43.02 42.09 1woi s PHE 66 CO 0.51 -0.39 0.14 0.99 0.70 0.00 0.00 175.22 177.16 1woi s THR 67 N 0.70 4.42 1.09 0.64 2.01 -1.26 -0.33 115.64 122.92 1woi s THR 67 Ca -0.13 -0.53 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 1woi s THR 67 Cb -0.16 -3.28 0.24 0.00 0.01 0.00 0.00 72.50 69.31 1woi s THR 67 CO 0.03 0.05 1.18 -0.83 -0.69 0.00 0.00 174.62 174.35 1woi s GLY 68 N 1.58 1.64 0.41 4.40 0.00 0.21 -4.87 107.32 110.68 1woi s GLY 68 Ca 0.04 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 43.88 1woi s GLY 68 CO 0.05 -0.15 2.02 -2.00 0.00 0.00 0.00 173.10 173.02 1woi h LEU 69 N -2.15 0.39 0.00 0.66 5.85 -1.99 -1.22 115.31 116.85 1woi h LEU 69 Ca -0.46 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1woi h LEU 69 Cb 1.28 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1woi h LEU 69 CO 0.40 0.35 0.00 -0.90 -0.34 0.00 0.00 178.44 177.94 1woi n ASP 70 N -4.42 0.00 0.00 1.25 5.75 -1.26 -4.87 116.55 113.00 1woi n ASP 70 Ca 0.02 -0.27 0.00 0.00 -0.01 0.00 0.00 54.79 54.53 1woi n ASP 70 Cb 0.13 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 1woi n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1woi n GLY 71 N 0.39 1.18 3.79 6.12 0.00 -0.46 -5.05 105.19 111.17 1woi n GLY 71 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.54 4.46 -0.12 1.61 1.02 -1.26 -4.77 119.74 120.14 1woi s LYS 72 Ca 0.00 1.13 -0.01 0.00 0.02 0.00 0.00 55.97 57.11 1woi s LYS 72 Cb 0.00 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.37 1woi s LYS 72 CO 0.00 0.38 -0.10 0.99 -0.92 0.00 0.00 175.35 175.70 1woi s THR 73 N -1.49 3.30 0.27 2.17 2.01 -1.26 -0.62 115.64 120.03 1woi s THR 73 Ca 0.45 -0.58 0.11 0.00 0.31 0.00 0.00 61.69 61.98 1woi s THR 73 Cb -0.19 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 1woi s THR 73 CO 0.23 0.53 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.42 1woi s ARG 74 N 0.17 1.86 -1.38 4.92 0.52 0.56 -4.63 118.95 120.97 1woi s ARG 74 Ca -0.06 -1.65 0.00 0.00 -0.52 0.00 0.00 55.73 53.50 1woi s ARG 74 Cb -0.15 -1.89 0.00 0.00 0.52 0.00 0.00 34.95 33.43 1woi s ARG 74 CO 0.04 0.34 0.00 1.28 0.02 0.00 0.00 175.30 176.99 1woi n LEU 75 N -0.67 -0.92 -4.75 2.53 4.77 -1.26 -1.54 117.00 115.16 1woi n LEU 75 Ca -0.06 0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.84 1woi n LEU 75 Cb 0.60 -2.02 -0.03 0.00 -2.33 0.00 0.00 43.42 39.63 1woi n LEU 75 CO 0.38 -0.70 0.90 -1.58 -1.33 0.00 0.00 177.39 175.06 1woi s GLN 76 N -3.07 4.48 -1.56 3.23 0.74 -1.26 -2.97 119.66 119.24 1woi s GLN 76 Ca 0.00 1.97 0.00 0.00 0.05 0.00 0.00 55.36 57.38 1woi s GLN 76 Cb 0.00 -3.18 0.00 0.00 1.10 0.00 0.00 33.01 30.93 1woi s GLN 76 CO 0.00 -0.07 0.00 0.41 -0.55 0.00 0.00 175.29 175.08 1woi n GLY 77 N 1.67 0.67 3.28 2.59 0.00 -1.26 -4.98 105.19 107.17 1woi n GLY 77 Ca 0.02 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.71 3.54 0.28 1.61 1.01 -1.16 -5.03 120.40 117.95 1woi s VAL 78 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1woi s VAL 78 Cb 0.00 -2.83 -0.08 0.00 0.00 0.00 0.00 36.38 33.46 1woi s VAL 78 CO 0.00 0.10 0.67 0.42 0.00 0.00 0.00 175.10 176.30 1woi s THR 79 N 1.42 4.75 0.20 3.92 -4.23 -1.26 -4.96 115.64 115.49 1woi s THR 79 Ca 0.01 0.83 0.09 0.00 -1.18 0.00 0.00 61.69 61.44 1woi s THR 79 Cb -0.17 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1woi s THR 79 CO -0.00 -0.11 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.43 1woi s PHE 80 N -1.89 1.91 -0.03 3.99 0.40 -1.26 -1.29 117.98 119.81 1woi s PHE 80 Ca 0.51 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 56.24 1woi s PHE 80 Cb -0.11 -0.91 0.02 0.00 0.51 0.00 0.00 43.02 42.54 1woi s PHE 80 CO 0.19 0.43 0.30 0.00 0.70 0.00 0.00 175.22 176.83 1woi s ALA 81 N -2.38 -0.75 -0.26 5.36 0.00 -0.42 -4.20 121.76 119.10 1woi s ALA 81 Ca 0.21 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1woi s ALA 81 Cb -0.04 -0.04 0.05 0.00 0.00 0.00 0.00 23.12 23.09 1woi s ALA 81 CO 0.08 -0.24 -0.09 0.34 0.00 0.00 0.00 175.76 175.86 1woi s ASP 82 N -1.03 4.44 -0.01 0.00 -1.08 -0.22 -1.05 116.67 117.71 1woi s ASP 82 Ca -0.11 -1.29 0.04 0.00 -0.52 0.00 0.00 52.55 50.67 1woi s ASP 82 Cb -0.05 -1.58 0.14 0.00 -1.46 0.00 0.00 42.92 39.97 1woi s ASP 82 CO 0.03 -0.19 1.01 0.00 0.52 0.00 0.00 175.17 176.54 1woi n ALA 83 N 4.50 2.56 -0.32 3.66 0.00 0.14 -0.86 120.51 130.19 1woi n ALA 83 Ca -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1woi n ALA 83 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.56 0.03 3.48 0.00 0.00 -1.26 -4.25 105.19 103.76 1woi n GLY 84 Ca 0.05 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.83 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 3.80 0.37 1.61 1.01 -1.26 -0.72 116.67 117.47 1woi s ASP 85 Ca 0.00 -0.64 -0.27 0.00 0.71 0.00 0.00 52.55 52.35 1woi s ASP 85 Cb 0.00 -0.48 -0.10 0.00 1.01 0.00 0.00 42.92 43.35 1woi s ASP 85 CO 0.00 0.16 1.32 -0.69 0.21 0.00 0.00 175.17 176.16 1woi s VAL 86 N -1.32 2.62 -0.52 -1.27 1.01 -0.34 -4.91 120.40 115.68 1woi s VAL 86 Ca 0.19 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.51 1woi s VAL 86 Cb -0.10 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.95 1woi s VAL 86 CO 0.10 0.12 0.96 -0.63 0.00 0.00 0.00 175.10 175.65 1woi s ILE 87 N -1.20 4.38 0.08 2.22 1.01 -1.26 -4.81 121.20 121.62 1woi s ILE 87 Ca 0.53 0.52 -0.10 0.00 0.00 0.00 0.00 60.65 61.60 1woi s ILE 87 Cb -0.39 -4.52 -0.06 0.00 0.01 0.00 0.00 42.46 37.50 1woi s ILE 87 CO 0.52 -1.03 0.39 -0.76 0.00 0.00 0.00 174.94 174.06 1woi s LEU 88 N 3.98 4.35 0.84 2.97 1.43 -1.26 -4.98 118.68 126.01 1woi s LEU 88 Ca 0.34 0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 54.14 1woi s LEU 88 Cb -0.11 -2.97 0.16 0.00 0.03 0.00 0.00 46.19 43.30 1woi s LEU 88 CO 0.23 0.18 1.15 -2.16 0.23 0.00 0.00 176.35 175.97 1woi s PRO 89 N -1.90 1.20 0.02 1.29 0.04 -1.26 -5.05 135.00 129.34 1woi s PRO 89 Ca 0.33 -0.76 -0.17 0.00 0.04 0.00 0.00 61.00 60.44 1woi s PRO 89 Cb -0.14 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 1woi s PRO 89 CO 0.18 -1.90 0.47 -1.12 0.04 0.00 0.00 177.00 174.67 1woi s SER 90 N -4.81 6.90 0.99 6.66 0.01 -1.26 -4.87 113.70 117.32 1woi s SER 90 Ca 0.70 1.06 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1woi s SER 90 Cb -0.05 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.89 1woi s SER 90 CO 0.48 0.29 0.00 0.18 0.41 0.00 0.00 173.24 174.61 1woi n LEU 91 N 1.87 0.00 -4.01 2.44 4.77 -1.26 -4.87 117.00 115.94 1woi n LEU 91 Ca -0.12 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.45 1woi n LEU 91 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 1woi n LEU 91 CO 0.39 0.00 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.65 1woi n GLU 92 N 14.00 -0.68 -0.29 3.23 -0.58 -1.26 -4.73 120.64 130.32 1woi n GLU 92 Ca 0.00 0.17 0.14 0.00 -0.42 0.00 0.00 57.16 57.05 1woi n GLU 92 Cb 0.00 -3.08 0.38 0.00 -0.57 0.00 0.00 31.44 28.18 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 -2.36 0.65 -0.41 3.49 0.13 -1.96 -0.97 132.00 130.57 1woi h PRO 93 Ca -0.70 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.38 1woi h PRO 93 Cb 1.39 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1woi h PRO 93 CO 0.54 0.43 0.18 0.37 -0.23 0.00 0.00 178.00 179.28 1woi h GLN 94 N 0.67 0.60 -0.57 0.86 4.15 -2.00 0.33 115.11 119.15 1woi h GLN 94 Ca 0.49 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.73 1woi h GLN 94 Cb 0.86 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1woi h GLN 94 CO -0.25 0.55 0.05 1.25 -1.93 0.00 0.00 178.83 178.50 1woi h LEU 95 N 0.52 0.94 -0.35 -2.39 5.85 -1.72 -1.79 115.31 116.37 1woi h LEU 95 Ca 0.14 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1woi h LEU 95 Cb 0.16 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1woi h LEU 95 CO -0.01 0.99 0.19 0.00 -0.34 0.00 0.00 178.44 179.26 1woi h ALA 96 N 0.99 0.43 -0.35 1.25 0.00 -0.87 -1.31 119.26 119.40 1woi h ALA 96 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1woi h ALA 96 Cb 0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1woi h ALA 96 CO 0.02 -0.18 0.10 0.45 0.00 0.00 0.00 179.25 179.64 1woi h HIS 97 N 0.38 0.18 -0.94 0.00 3.86 -0.63 -0.03 115.15 117.98 1woi h HIS 97 Ca 0.14 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.37 1woi h HIS 97 Cb 0.04 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 28.43 1woi h HIS 97 CO -0.09 0.06 0.57 -0.44 0.86 0.00 0.00 177.93 178.89 1woi h ASP 98 N 0.24 1.12 -0.13 2.45 3.32 -0.91 -0.26 116.42 122.25 1woi h ASP 98 Ca 0.16 -0.07 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 1woi h ASP 98 Cb 0.16 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1woi h ASP 98 CO -0.19 0.86 -0.37 0.03 -1.72 0.00 0.00 179.24 177.85 1woi h ARG 99 N 1.29 0.65 -0.04 3.56 3.08 -0.75 -1.54 114.38 120.63 1woi h ARG 99 Ca 0.34 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1woi h ARG 99 Cb -0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1woi h ARG 99 CO -0.06 0.92 0.01 0.82 -1.07 0.00 0.00 179.97 180.59 1woi h ILE 100 N 0.54 1.19 -0.39 2.04 2.04 -0.46 -1.29 117.51 121.17 1woi h ILE 100 Ca 0.05 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.37 1woi h ILE 100 Cb 0.89 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1woi h ILE 100 CO 0.08 0.15 0.21 0.74 0.00 0.00 0.00 178.15 179.33 1woi h THR 101 N -0.15 1.00 -0.29 -0.27 2.02 -1.01 0.13 112.91 114.34 1woi h THR 101 Ca 0.01 -0.14 0.01 0.00 0.77 0.00 0.00 66.41 67.06 1woi h THR 101 Cb 0.24 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1woi h THR 101 CO 0.00 0.08 0.17 -0.08 0.37 0.00 0.00 175.52 176.06 1woi h GLU 102 N 0.42 0.34 -0.56 6.66 4.57 -1.18 0.53 114.58 125.36 1woi h GLU 102 Ca 0.16 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1woi h GLU 102 Cb 0.05 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 1woi h GLU 102 CO -0.10 0.23 0.18 0.00 -1.18 0.00 0.00 179.01 178.13 1woi h ALA 103 N 1.12 0.73 -0.94 2.92 0.00 -1.02 -2.15 119.26 119.94 1woi h ALA 103 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1woi h ALA 103 Cb -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1woi h ALA 103 CO -0.05 0.40 0.58 0.00 0.00 0.00 0.00 179.25 180.18 1woi h ALA 104 N 1.04 1.19 -0.07 0.00 0.00 -0.59 -0.98 119.26 119.85 1woi h ALA 104 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1woi h ALA 104 Cb 0.28 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1woi h ALA 104 CO -0.01 0.62 0.05 0.00 0.00 0.00 0.00 179.25 179.92 1woi h ARG 105 N 1.28 0.09 -0.45 0.00 3.08 -0.56 0.12 114.38 117.94 1woi h ARG 105 Ca 0.34 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.38 1woi h ARG 105 Cb -0.09 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1woi h ARG 105 CO -0.07 0.07 0.27 1.96 -1.07 0.00 0.00 179.97 181.13 1woi h GLN 106 N 0.09 0.62 -0.37 0.04 4.20 -0.98 -1.44 115.11 117.29 1woi h GLN 106 Ca 0.03 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1woi h GLN 106 Cb -0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1woi h GLN 106 CO -0.01 0.47 0.05 0.28 -0.67 0.00 0.00 178.83 178.95 1woi h VAL 107 N 0.60 1.24 -0.34 -0.54 2.07 -1.09 -2.70 116.25 115.49 1woi h VAL 107 Ca 0.16 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1woi h VAL 107 Cb 0.01 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 1woi h VAL 107 CO -0.03 0.29 0.23 -0.09 0.02 0.00 0.00 177.57 177.99 1woi h ARG 108 N 0.45 0.37 -0.01 1.57 1.12 -0.76 -0.88 114.38 116.25 1woi h ARG 108 Ca 0.11 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.96 1woi h ARG 108 Cb 0.38 -0.08 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 1woi h ARG 108 CO 0.01 0.25 0.00 0.41 -3.11 0.00 0.00 179.97 177.53 1woi n GLY 109 N -1.50 -0.89 0.00 2.80 0.00 -0.56 -3.57 105.19 101.46 1woi n GLY 109 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.77 -0.25 -4.22 1.61 1.74 -0.36 -5.07 116.66 109.34 1woi n ARG 110 Ca 0.18 -0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 56.59 1woi n ARG 110 Cb 0.11 -0.87 -0.09 0.00 -1.02 0.00 0.00 32.46 30.58 1woi n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woi n ARG 112 N -0.39 0.66 -3.83 0.00 0.63 -0.55 -4.83 116.66 108.34 1woi n ARG 112 Ca 0.04 0.42 -0.29 0.00 -0.92 0.00 0.00 57.85 57.10 1woi n ARG 112 Cb 0.65 -1.73 -0.16 0.00 0.45 0.00 0.00 32.46 31.67 1woi n ARG 112 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1woi s VAL 113 N -2.46 1.07 0.20 5.15 1.01 -0.32 -4.86 120.40 120.19 1woi s VAL 113 Ca -0.26 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 60.48 1woi s VAL 113 Cb 0.06 -1.50 -0.08 0.00 0.00 0.00 0.00 36.38 34.86 1woi s VAL 113 CO 0.68 -0.23 0.77 -2.16 0.00 0.00 0.00 175.10 174.16 1woi s PRO 114 N 1.59 4.45 -0.20 2.72 0.04 -1.26 -3.11 135.00 139.23 1woi s PRO 114 Ca -0.02 1.07 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1woi s PRO 114 Cb -0.18 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.30 1woi s PRO 114 CO -0.09 0.48 -0.13 0.08 0.04 0.00 0.00 177.00 177.37 1woi s VAL 115 N -1.33 2.61 -0.21 -0.36 1.01 0.06 -2.03 120.40 120.14 1woi s VAL 115 Ca 0.40 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 1woi s VAL 115 Cb -0.20 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.99 1woi s VAL 115 CO 0.24 0.47 0.05 -0.36 0.00 0.00 0.00 175.10 175.50 1woi s PHE 116 N 1.36 3.13 -0.34 5.22 0.40 0.71 -0.93 117.98 127.53 1woi s PHE 116 Ca 0.05 -0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 56.05 1woi s PHE 116 Cb -0.14 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.28 1woi s PHE 116 CO -0.09 -0.12 0.17 -0.51 0.70 0.00 0.00 175.22 175.37 1woi s LEU 117 N 0.94 4.38 0.92 -0.37 1.43 -0.32 -0.83 118.68 124.82 1woi s LEU 117 Ca 0.03 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.24 1woi s LEU 117 Cb -0.14 -2.00 0.20 0.00 0.03 0.00 0.00 46.19 44.28 1woi s LEU 117 CO 0.02 -0.29 1.26 -0.83 0.23 0.00 0.00 176.35 176.75 1woi s GLY 118 N 1.57 1.80 0.00 -3.19 0.00 0.51 -0.38 107.32 107.63 1woi s GLY 118 Ca 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1woi s GLY 118 CO 0.06 -0.71 0.00 0.61 0.00 0.00 0.00 173.10 173.06 1woi n GLY 119 N -3.58 0.44 3.83 0.20 0.00 -0.25 -3.42 105.19 102.42 1woi n GLY 119 Ca 0.17 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.94 4.22 0.34 1.61 1.47 0.73 -1.30 116.67 122.79 1woi s ASP 120 Ca 0.00 1.02 0.23 0.00 1.18 0.00 0.00 52.55 54.98 1woi s ASP 120 Cb 0.00 -1.64 1.23 0.00 -0.34 0.00 0.00 42.92 42.17 1woi s ASP 120 CO 0.00 -2.11 1.70 -0.74 0.68 0.00 0.00 175.17 174.69 1woi h HIS 121 N -1.19 0.00 0.00 2.11 -0.00 -1.90 -2.44 115.15 111.72 1woi h HIS 121 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 59.89 1woi h HIS 121 Cb 1.31 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.72 1woi h HIS 121 CO 0.36 0.00 -0.01 0.66 -0.00 0.00 0.00 177.93 178.94 1woi h SER 122 N 0.00 0.00 0.51 3.26 4.64 -1.80 -2.31 113.55 117.85 1woi h SER 122 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1woi h SER 122 Cb 0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1woi h SER 122 CO 0.00 0.01 -0.08 -0.37 -0.87 0.00 0.00 176.83 175.52 1woi h VAL 123 N 0.00 0.33 0.00 0.95 -1.51 -1.79 -2.75 116.25 111.47 1woi h VAL 123 Ca -0.00 -0.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.96 1woi h VAL 123 Cb 0.22 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.75 1woi h VAL 123 CO 0.00 0.08 -0.07 0.28 -1.23 0.00 0.00 177.57 176.63 1woi h SER 124 N 0.00 0.00 0.46 4.19 0.02 -1.65 -2.16 113.55 114.40 1woi h SER 124 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1woi h SER 124 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 1woi h SER 124 CO 0.01 0.07 -0.22 0.22 -1.14 0.00 0.00 176.83 175.77 1woi h TYR 125 N 0.00 -0.58 0.00 3.45 3.20 -1.68 -0.55 116.97 120.81 1woi h TYR 125 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1woi h TYR 125 Cb 0.16 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1woi h TYR 125 CO 0.00 -0.36 -0.03 -1.00 -1.64 0.00 0.00 178.16 175.13 1woi h PRO 126 N -0.81 0.00 -0.11 1.82 0.13 -1.72 -1.75 132.00 129.55 1woi h PRO 126 Ca -0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1woi h PRO 126 Cb 0.48 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1woi h PRO 126 CO 0.10 0.03 -0.14 -0.07 -0.23 0.00 0.00 178.00 177.69 1woi h LEU 127 N 0.00 0.31 -1.91 1.56 4.07 -1.35 -3.10 115.31 114.89 1woi h LEU 127 Ca -0.00 -0.51 -0.03 0.00 0.08 0.00 0.00 57.88 57.42 1woi h LEU 127 Cb 0.13 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 1woi h LEU 127 CO 0.00 0.76 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.93 1woi h LEU 128 N -0.13 0.00 -2.66 1.67 3.38 -0.22 -2.24 115.31 115.11 1woi h LEU 128 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1woi h LEU 128 Cb 0.69 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 1woi h LEU 128 CO 0.03 0.12 -0.00 0.03 0.09 0.00 0.00 178.44 178.71 1woi h ARG 129 N 0.00 0.00 -0.03 1.13 3.08 -1.36 0.03 114.38 117.23 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 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 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 -2.10 2.61 -1.42 0.04 0.00 -0.84 -3.42 120.51 115.38 1woi n ALA 130 Ca -0.02 -0.25 0.04 0.00 0.00 0.00 0.00 53.44 53.21 1woi n ALA 130 Cb 0.12 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.55 0.32 0.30 0.00 3.01 -0.00 -4.75 117.46 115.78 1woi n PHE 131 Ca 0.18 -1.39 0.17 0.00 1.01 0.00 0.00 57.45 57.42 1woi n PHE 131 Cb 0.16 -0.29 0.91 0.00 -0.01 0.00 0.00 39.48 40.24 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 0.86 1.17 -0.47 4.37 0.00 -1.68 -2.52 119.26 120.99 1woi h ALA 132 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1woi h ALA 132 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1woi h ALA 132 CO 0.11 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.01 1woi n ASP 133 N -3.38 2.71 -4.46 0.00 3.85 -1.26 -4.79 116.55 109.21 1woi n ASP 133 Ca -0.02 -2.06 -0.44 0.00 -0.71 0.00 0.00 54.79 51.56 1woi n ASP 133 Cb 0.18 -0.35 -0.07 0.00 -1.35 0.00 0.00 41.12 39.53 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 -1.44 4.92 0.42 2.12 1.01 -0.95 -5.04 120.40 121.43 1woi s VAL 134 Ca 0.32 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 1woi s VAL 134 Cb 0.18 -4.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1woi s VAL 134 CO 0.20 -0.70 1.41 -2.16 0.00 0.00 0.00 175.10 173.85 1woi s PRO 135 N 2.54 3.87 -1.46 2.72 0.04 -1.26 -3.02 135.00 138.43 1woi s PRO 135 Ca 0.15 2.39 -0.01 0.00 0.04 0.00 0.00 61.00 63.57 1woi s PRO 135 Cb -0.18 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1woi s PRO 135 CO 0.13 -0.66 0.23 -0.25 0.04 0.00 0.00 177.00 176.50 1woi n ASP 136 N 0.07 0.10 -4.72 6.66 8.00 -1.23 -4.73 116.55 120.70 1woi n ASP 136 Ca 0.04 -1.15 -0.42 0.00 0.71 0.00 0.00 54.79 53.97 1woi n ASP 136 Cb 0.42 -2.32 -0.03 0.00 -0.02 0.00 0.00 41.12 39.16 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 -7.17 4.38 0.06 0.64 2.96 0.24 -4.35 118.68 115.45 1woi s LEU 137 Ca 0.02 2.49 0.08 0.00 -0.22 0.00 0.00 54.13 56.50 1woi s LEU 137 Cb -0.01 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1woi s LEU 137 CO 0.94 -0.71 -0.18 -1.00 -1.32 0.00 0.00 176.35 174.08 1woi s HIS 138 N 0.86 2.55 -0.10 5.38 3.76 0.13 -1.99 115.29 125.87 1woi s HIS 138 Ca 0.65 -0.26 0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1woi s HIS 138 Cb -0.40 -1.42 -0.00 0.00 1.11 0.00 0.00 32.58 31.86 1woi s HIS 138 CO 0.33 0.29 -0.23 0.08 -0.85 0.00 0.00 174.74 174.36 1woi s VAL 139 N -0.99 2.15 -0.28 -0.90 1.01 -0.40 -0.47 120.40 120.51 1woi s VAL 139 Ca 0.16 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1woi s VAL 139 Cb -0.11 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.47 1woi s VAL 139 CO 0.07 0.56 0.04 -0.69 0.00 0.00 0.00 175.10 175.07 1woi s VAL 140 N 0.29 3.66 -0.14 2.92 1.01 -0.55 -0.41 120.40 127.18 1woi s VAL 140 Ca -0.17 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1woi s VAL 140 Cb -0.17 -2.87 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1woi s VAL 140 CO 0.08 0.13 -0.17 -1.58 0.00 0.00 0.00 175.10 173.56 1woi s GLN 141 N 1.45 3.20 -0.21 2.72 0.74 0.99 -1.31 119.66 127.25 1woi s GLN 141 Ca 0.02 -0.77 -0.10 0.00 0.05 0.00 0.00 55.36 54.56 1woi s GLN 141 Cb -0.17 -2.55 -0.05 0.00 1.10 0.00 0.00 33.01 31.34 1woi s GLN 141 CO 0.00 0.07 0.14 -0.51 -0.55 0.00 0.00 175.29 174.45 1woi s LEU 142 N 0.65 4.18 -0.22 3.68 1.43 -0.59 0.28 118.68 128.09 1woi s LEU 142 Ca -0.09 0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1woi s LEU 142 Cb -0.16 -2.09 0.16 0.00 0.03 0.00 0.00 46.19 44.13 1woi s LEU 142 CO 0.02 0.14 1.17 -0.62 0.23 0.00 0.00 176.35 177.30 1woi s ASP 143 N 0.59 -0.21 0.25 2.29 -1.08 -0.70 -1.38 116.67 116.43 1woi s ASP 143 Ca 0.08 0.22 0.23 0.00 -0.52 0.00 0.00 52.55 52.56 1woi s ASP 143 Cb -0.12 0.17 0.25 0.00 -1.46 0.00 0.00 42.92 41.76 1woi s ASP 143 CO 0.00 -0.19 1.34 0.00 0.52 0.00 0.00 175.17 176.84 1woi h ALA 144 N 2.31 0.71 -3.41 3.66 0.00 -1.75 -2.89 119.26 117.89 1woi h ALA 144 Ca -0.13 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.11 1woi h ALA 144 Cb 1.17 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.78 1woi h ALA 144 CO 0.27 0.00 -0.82 -1.01 0.00 0.00 0.00 179.25 177.69 1woi s HIS 145 N -3.25 2.37 0.07 0.00 3.76 -1.26 -2.34 115.29 114.65 1woi s HIS 145 Ca 0.04 -0.33 -0.15 0.00 -0.15 0.00 0.00 55.06 54.47 1woi s HIS 145 Cb 0.09 -1.21 -0.21 0.00 1.11 0.00 0.00 32.58 32.36 1woi s HIS 145 CO 0.72 0.45 1.21 1.25 -0.85 0.00 0.00 174.74 177.52 1woi h LEU 146 N 3.40 0.87 -1.37 0.89 5.85 -1.96 -3.48 115.31 119.50 1woi h LEU 146 Ca -0.48 -0.71 -0.41 0.00 0.84 0.00 0.00 57.88 57.12 1woi h LEU 146 Cb 1.19 -0.26 0.07 0.00 0.37 0.00 0.00 40.66 42.03 1woi h LEU 146 CO 0.46 1.45 -0.77 0.47 -0.34 0.00 0.00 178.44 179.71 1woi n ASP 147 N -3.94 -3.25 -0.56 1.25 8.00 -1.26 -4.89 116.55 111.91 1woi n ASP 147 Ca -0.10 -0.72 0.07 0.00 0.71 0.00 0.00 54.79 54.74 1woi n ASP 147 Cb 0.81 -4.38 0.17 0.00 -0.02 0.00 0.00 41.12 37.70 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 -4.49 0.00 -2.55 1.24 7.35 -1.13 -3.14 117.46 114.74 1woi n PHE 148 Ca -0.15 -1.24 -0.36 0.00 -0.76 0.00 0.00 57.45 54.93 1woi n PHE 148 Cb 0.61 -0.21 -0.04 0.00 0.35 0.00 0.00 39.48 40.19 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 -2.75 3.74 -0.04 -2.13 2.01 -0.42 -4.53 115.64 111.52 1woi s THR 149 Ca 0.35 1.31 -0.00 0.00 0.31 0.00 0.00 61.69 63.66 1woi s THR 149 Cb 0.34 -3.67 -0.00 0.00 0.01 0.00 0.00 72.50 69.18 1woi s THR 149 CO -0.05 -0.01 -0.00 -0.78 -0.69 0.00 0.00 174.62 173.08 1woi h ASP 150 N 2.43 0.00 -4.26 3.53 3.58 -1.93 -3.38 116.42 116.40 1woi h ASP 150 Ca -0.48 0.00 -0.50 0.00 0.42 0.00 0.00 57.03 56.46 1woi h ASP 150 Cb 1.21 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.98 1woi h ASP 150 CO 0.62 0.22 -0.82 -0.89 -2.88 0.00 0.00 179.24 175.49 1woi s THR 151 N -1.25 1.22 -0.05 2.25 2.01 -1.26 -4.56 115.64 114.00 1woi s THR 151 Ca -0.00 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.25 1woi s THR 151 Cb 0.00 -1.03 0.03 0.00 0.01 0.00 0.00 72.50 71.51 1woi s THR 151 CO 0.01 0.30 0.12 -0.60 -0.69 0.00 0.00 174.62 173.76 1woi s ARG 152 N -0.49 0.09 -1.57 4.92 3.52 -0.70 -4.88 118.95 119.84 1woi s ARG 152 Ca 0.06 0.28 -0.08 0.00 -0.13 0.00 0.00 55.73 55.86 1woi s ARG 152 Cb -0.06 -0.10 0.07 0.00 -1.56 0.00 0.00 34.95 33.30 1woi s ARG 152 CO -0.00 -0.11 0.45 0.09 -0.81 0.00 0.00 175.30 174.91 1woi n ASN 153 N 3.79 -1.04 -1.97 -2.12 4.13 -1.26 -1.36 115.26 115.44 1woi n ASN 153 Ca -0.22 -1.09 -0.18 0.00 1.68 0.00 0.00 54.58 54.77 1woi n ASN 153 Cb 0.54 -2.50 -0.02 0.00 -1.54 0.00 0.00 39.78 36.26 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 -2.82 -5.34 -3.92 6.41 8.00 -1.26 -5.00 116.55 112.62 1woi n ASP 154 Ca -0.16 0.08 -0.10 0.00 0.71 0.00 0.00 54.79 55.32 1woi n ASP 154 Cb 0.61 -4.41 -0.10 0.00 -0.02 0.00 0.00 41.12 37.20 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 -2.87 0.11 -1.26 -3.53 -1.32 -0.46 -5.02 115.64 101.28 1woi s THR 155 Ca 0.00 -0.87 0.23 0.00 -1.21 0.00 0.00 61.69 59.83 1woi s THR 155 Cb 0.00 -0.52 -0.08 0.00 -1.51 0.00 0.00 72.50 70.39 1woi s THR 155 CO 0.00 -0.48 1.13 0.29 -2.21 0.00 0.00 174.62 173.35 1woi n LYS 156 N 1.30 0.30 -0.61 7.08 4.76 -1.26 -1.71 118.16 128.01 1woi n LYS 156 Ca -0.22 -0.23 0.07 0.00 -2.87 0.00 0.00 58.31 55.07 1woi n LYS 156 Cb 0.56 -1.50 0.31 0.00 -1.84 0.00 0.00 35.03 32.56 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 -1.15 1.35 -1.19 2.13 5.03 -1.26 -4.79 117.44 117.56 1woi n TRP 157 Ca 0.06 -0.86 -0.30 0.00 3.03 0.00 0.00 57.50 59.43 1woi n TRP 157 Cb 0.36 -0.39 0.22 0.00 -1.03 0.00 0.00 31.31 30.46 1woi n TRP 157 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1woi s SER 158 N -1.57 1.61 0.00 -0.99 1.04 -1.26 -4.86 113.70 107.66 1woi s SER 158 Ca 0.47 0.75 0.28 0.00 0.48 0.00 0.00 55.95 57.92 1woi s SER 158 Cb 0.37 -1.10 1.58 0.00 0.10 0.00 0.00 66.02 66.97 1woi s SER 158 CO 0.11 -3.71 1.99 -0.46 0.98 0.00 0.00 173.24 172.15 1woi n ASN 159 N -4.50 0.00 -0.49 7.02 6.94 -1.19 -2.10 115.26 120.93 1woi n ASN 159 Ca 0.11 -0.62 0.13 0.00 -0.02 0.00 0.00 54.58 54.18 1woi n ASN 159 Cb 0.59 -0.10 0.33 0.00 -2.36 0.00 0.00 39.78 38.25 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 -1.10 1.69 0.00 0.53 7.64 -1.26 -4.41 113.62 116.72 1woi n SER 160 Ca 0.18 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.66 1woi n SER 160 Cb 0.14 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.10 1.25 -0.26 6.43 7.64 -0.89 -1.30 113.62 126.58 1woi n SER 161 Ca 0.15 -1.44 0.06 0.00 1.01 0.00 0.00 58.87 58.65 1woi n SER 161 Cb 0.41 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.81 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 0.41 0.00 1.43 0.13 -1.70 -0.33 132.00 131.94 1woi h PRO 162 Ca 0.00 -0.02 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 1woi h PRO 162 Cb 0.37 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 1woi h PRO 162 CO 0.00 0.27 -0.42 0.74 -0.23 0.00 0.00 178.00 178.36 1woi h PHE 163 N 0.42 0.00 -0.13 1.56 -1.00 -1.88 -0.18 116.94 115.73 1woi h PHE 163 Ca 0.42 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.14 1woi h PHE 163 Cb 0.67 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.22 1woi h PHE 163 CO -0.17 0.42 -0.19 -0.09 -1.61 0.00 0.00 178.31 176.67 1woi h ARG 164 N 0.00 0.36 -0.63 1.51 9.65 -1.50 -1.06 114.38 122.72 1woi h ARG 164 Ca -0.00 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.60 1woi h ARG 164 Cb 1.14 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.71 1woi h ARG 164 CO 0.05 0.79 0.15 0.00 2.80 0.00 0.00 179.97 183.76 1woi h ARG 165 N -0.03 0.99 -0.21 0.20 2.47 -0.99 -2.64 114.38 114.16 1woi h ARG 165 Ca 0.01 -0.22 -0.04 0.00 -1.26 0.00 0.00 59.98 58.47 1woi h ARG 165 Cb 0.75 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 1woi h ARG 165 CO 0.04 0.88 -0.03 0.00 0.56 0.00 0.00 179.97 181.42 1woi h ALA 166 N 1.22 0.29 -0.32 0.04 0.00 -0.95 -2.55 119.26 116.99 1woi h ALA 166 Ca 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1woi h ALA 166 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1woi h ALA 166 CO 0.00 0.05 0.10 0.00 0.00 0.00 0.00 179.25 179.40 1woi h GLU 168 N 0.46 0.00 0.00 0.00 4.11 -1.39 -3.23 114.58 114.53 1woi h GLU 168 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1woi h GLU 168 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1woi h GLU 168 CO -0.01 0.00 -1.30 0.00 0.07 0.00 0.00 179.01 177.77 1woi n ALA 169 N -1.91 3.89 -3.74 1.06 0.00 -0.70 -4.80 120.51 114.31 1woi n ALA 169 Ca 0.05 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1woi n ALA 169 Cb 0.47 -0.71 -0.13 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.48 2.84 0.63 0.00 1.43 0.11 -4.96 118.68 115.26 1woi s LEU 170 Ca 0.02 -2.65 0.42 0.00 -1.03 0.00 0.00 54.13 50.89 1woi s LEU 170 Cb 0.14 -1.09 2.26 0.00 0.03 0.00 0.00 46.19 47.53 1woi s LEU 170 CO 0.82 -0.27 2.29 1.55 0.23 0.00 0.00 176.35 180.97 1woi h PRO 171 N 6.73 0.00 0.00 1.29 0.13 -1.86 0.19 132.00 138.48 1woi h PRO 171 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1woi h PRO 171 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1woi h PRO 171 CO 0.50 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.54 1woi n ASN 172 N -3.01 0.19 -4.52 1.44 6.94 -1.26 -4.36 115.26 110.68 1woi n ASN 172 Ca -0.03 0.52 -0.42 0.00 -0.02 0.00 0.00 54.58 54.63 1woi n ASN 172 Cb 0.09 -0.57 -0.03 0.00 -2.36 0.00 0.00 39.78 36.91 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 -3.37 4.10 0.14 -4.53 0.20 0.05 -0.59 118.68 114.68 1woi s LEU 173 Ca 0.12 -1.62 0.24 0.00 0.69 0.00 0.00 54.13 53.57 1woi s LEU 173 Cb 0.16 -2.50 0.33 0.00 -0.43 0.00 0.00 46.19 43.76 1woi s LEU 173 CO 0.51 -1.35 1.32 -0.37 -0.29 0.00 0.00 176.35 176.17 1woi h VAL 174 N 6.38 0.00 -2.10 1.68 -1.51 -1.60 -3.47 116.25 115.63 1woi h VAL 174 Ca 0.15 -0.55 -0.06 0.00 -1.23 0.00 0.00 66.70 65.01 1woi h VAL 174 Cb 1.02 1.16 -0.20 0.00 -2.13 0.00 0.00 31.29 31.13 1woi h VAL 174 CO 1.30 0.00 0.12 -2.28 -1.23 0.00 0.00 177.57 175.47 1woi s HIS 175 N -3.18 -0.67 -0.02 5.19 5.65 -1.22 -4.93 115.29 116.10 1woi s HIS 175 Ca 0.06 1.39 0.02 0.00 0.25 0.00 0.00 55.06 56.78 1woi s HIS 175 Cb 0.13 0.32 0.00 0.00 -1.18 0.00 0.00 32.58 31.85 1woi s HIS 175 CO 0.72 -0.49 -0.09 0.42 -0.65 0.00 0.00 174.74 174.66 1woi s ILE 176 N -0.51 0.75 -0.21 0.89 1.01 -1.26 -1.28 121.20 120.59 1woi s ILE 176 Ca -0.06 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.25 1woi s ILE 176 Cb -0.02 -0.67 0.04 0.00 0.01 0.00 0.00 42.46 41.82 1woi s ILE 176 CO 0.06 0.23 -0.15 -0.89 0.00 0.00 0.00 174.94 174.19 1woi s THR 177 N 0.15 2.04 -0.18 2.92 2.01 0.46 -0.99 115.64 122.04 1woi s THR 177 Ca -0.02 -1.21 -0.04 0.00 0.31 0.00 0.00 61.69 60.72 1woi s THR 177 Cb -0.08 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1woi s THR 177 CO 0.00 0.27 -0.03 -0.89 -0.69 0.00 0.00 174.62 173.29 1woi s THR 178 N 1.23 3.75 -0.08 -0.82 2.01 -0.40 -0.00 115.64 121.32 1woi s THR 178 Ca -0.01 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1woi s THR 178 Cb -0.16 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.68 1woi s THR 178 CO -0.09 0.45 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.39 1woi s VAL 179 N 0.85 1.85 0.00 3.82 1.01 0.14 -0.75 120.40 127.32 1woi s VAL 179 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.07 1woi s VAL 179 Cb -0.14 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.64 1woi s VAL 179 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1woi n GLY 180 N 3.46 0.93 3.65 4.51 0.00 -0.39 -1.72 105.19 115.62 1woi n GLY 180 Ca -0.19 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.36 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 2.74 -3.76 0.99 4.77 -1.09 -4.05 117.00 116.60 1woi n LEU 181 Ca 0.00 1.13 -0.06 0.00 -0.03 0.00 0.00 56.01 57.05 1woi n LEU 181 Cb 0.00 -1.38 -0.02 0.00 -2.33 0.00 0.00 43.42 39.70 1woi n LEU 181 CO 0.00 -0.61 0.59 0.00 -1.33 0.00 0.00 177.39 176.05 1woi s ARG 182 N 0.00 1.43 0.00 3.23 1.70 -0.99 -1.04 118.95 123.29 1woi s ARG 182 Ca 0.73 -0.77 0.00 0.00 -0.47 0.00 0.00 55.73 55.22 1woi s ARG 182 Cb -0.71 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.17 1woi s ARG 182 CO 0.47 -0.65 0.00 0.41 -1.08 0.00 0.00 175.30 174.45 1woi n GLY 183 N -0.45 3.39 0.20 3.88 0.00 -1.26 -4.74 105.19 106.21 1woi n GLY 183 Ca -0.06 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 -8.04 0.99 3.38 -2.02 -3.45 115.31 106.16 1woi h LEU 184 Ca 0.00 -0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1woi h LEU 184 Cb 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 40.43 1woi h LEU 184 CO 0.00 0.00 -0.81 -0.60 0.09 0.00 0.00 178.44 177.12 1woi s ARG 185 N -3.20 1.41 0.04 1.13 3.52 -1.26 -5.13 118.95 115.47 1woi s ARG 185 Ca 0.07 -0.42 0.03 0.00 -0.13 0.00 0.00 55.73 55.28 1woi s ARG 185 Cb 0.06 -1.24 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 1woi s ARG 185 CO 0.66 0.12 -0.09 -0.06 -0.81 0.00 0.00 175.30 175.13 1woi s PHE 186 N 0.31 0.76 -0.46 5.12 0.40 -1.26 -5.08 117.98 117.77 1woi s PHE 186 Ca -0.07 -0.44 -0.29 0.00 -0.60 0.00 0.00 56.93 55.53 1woi s PHE 186 Cb -0.12 -0.45 0.03 0.00 0.51 0.00 0.00 43.02 42.99 1woi s PHE 186 CO 0.02 -0.05 1.16 0.34 0.70 0.00 0.00 175.22 177.39 1woi s ASP 187 N -1.41 6.63 0.38 1.36 -1.08 -1.26 -4.91 116.67 116.38 1woi s ASP 187 Ca -0.07 0.56 0.06 0.00 -0.52 0.00 0.00 52.55 52.57 1woi s ASP 187 Cb -0.09 -2.55 0.76 0.00 -1.46 0.00 0.00 42.92 39.59 1woi s ASP 187 CO 0.01 -1.24 2.01 1.55 0.52 0.00 0.00 175.17 178.02 1woi h PRO 188 N 9.28 0.59 -0.39 4.34 0.13 -1.99 -0.74 132.00 143.23 1woi h PRO 188 Ca -0.23 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.73 1woi h PRO 188 Cb 1.06 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 1woi h PRO 188 CO 1.12 0.44 -0.24 1.49 -0.23 0.00 0.00 178.00 180.58 1woi h GLU 189 N 0.60 0.79 -0.26 0.86 4.22 -1.98 -1.04 114.58 117.77 1woi h GLU 189 Ca 0.16 -0.33 -0.18 0.00 0.08 0.00 0.00 59.36 59.09 1woi h GLU 189 Cb 0.01 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1woi h GLU 189 CO -0.03 0.95 -0.55 0.00 -2.18 0.00 0.00 179.01 177.20 1woi h ALA 190 N 1.04 0.42 -0.57 2.92 0.00 -1.64 -0.92 119.26 120.52 1woi h ALA 190 Ca 0.09 -0.52 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1woi h ALA 190 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1woi h ALA 190 CO 0.06 0.64 0.16 0.28 0.00 0.00 0.00 179.25 180.39 1woi h VAL 191 N 0.61 1.24 -0.41 0.00 2.07 -1.05 -0.78 116.25 117.94 1woi h VAL 191 Ca 0.01 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.62 1woi h VAL 191 Cb 1.17 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1woi h VAL 191 CO 0.12 0.32 0.04 0.00 0.02 0.00 0.00 177.57 178.07 1woi h ALA 192 N 1.03 0.54 -0.49 1.67 0.00 -1.15 -1.41 119.26 119.46 1woi h ALA 192 Ca 0.18 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1woi h ALA 192 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1woi h ALA 192 CO -0.00 0.29 0.11 0.00 0.00 0.00 0.00 179.25 179.65 1woi h ALA 193 N 0.91 1.28 0.01 0.00 0.00 -0.97 0.96 119.26 121.45 1woi h ALA 193 Ca 0.12 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1woi h ALA 193 Cb 0.42 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1woi h ALA 193 CO 0.01 0.50 -0.00 0.00 0.00 0.00 0.00 179.25 179.76 1woi h ALA 194 N 1.41 -0.01 -0.80 0.00 0.00 -0.97 -2.88 119.26 116.01 1woi h ALA 194 Ca 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1woi h ALA 194 Cb 0.28 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1woi h ALA 194 CO -0.00 -0.26 0.38 0.00 0.00 0.00 0.00 179.25 179.37 1woi h ARG 195 N -0.51 1.14 -0.48 0.00 3.08 -1.12 -1.35 114.38 115.15 1woi h ARG 195 Ca -0.00 -0.16 0.11 0.00 0.07 0.00 0.00 59.98 59.99 1woi h ARG 195 Cb 0.49 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.31 1woi h ARG 195 CO 0.00 0.88 0.33 0.00 -1.07 0.00 0.00 179.97 180.11 1woi h ALA 196 N 1.28 2.24 -0.13 0.04 0.00 -0.79 0.23 119.26 122.13 1woi h ALA 196 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1woi h ALA 196 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1woi h ALA 196 CO -0.03 -0.36 0.00 0.54 0.00 0.00 0.00 179.25 179.39 1woi n ARG 197 N -4.44 1.76 -0.93 0.00 1.74 -0.60 -4.92 116.66 109.28 1woi n ARG 197 Ca 0.08 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.03 1woi n ARG 197 Cb 0.44 -1.42 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.16 0.53 3.77 -0.13 0.00 0.81 -4.92 105.19 106.41 1woi n GLY 198 Ca 0.17 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 2.72 -0.23 1.61 3.76 -0.68 -4.86 115.29 115.60 1woi s HIS 199 Ca 0.00 1.37 -0.16 0.00 -0.15 0.00 0.00 55.06 56.12 1woi s HIS 199 Cb 0.00 -3.73 -0.03 0.00 1.11 0.00 0.00 32.58 29.92 1woi s HIS 199 CO 0.00 -2.31 0.43 0.99 -0.85 0.00 0.00 174.74 173.00 1woi s THR 200 N -1.25 5.15 -0.25 1.30 2.01 -0.16 -4.53 115.64 117.91 1woi s THR 200 Ca 0.58 0.74 -0.04 0.00 0.31 0.00 0.00 61.69 63.29 1woi s THR 200 Cb -0.39 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1woi s THR 200 CO 0.51 0.18 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.96 1woi s ILE 201 N 1.76 3.30 -0.38 1.82 1.01 -1.26 -1.28 121.20 126.17 1woi s ILE 201 Ca 0.19 -0.75 -0.00 0.00 0.00 0.00 0.00 60.65 60.09 1woi s ILE 201 Cb -0.15 -2.61 0.10 0.00 0.01 0.00 0.00 42.46 39.81 1woi s ILE 201 CO 0.09 0.26 0.14 -0.63 0.00 0.00 0.00 174.94 174.80 1woi s ILE 202 N 1.42 2.93 0.71 2.92 1.01 0.07 -5.00 121.20 125.27 1woi s ILE 202 Ca 0.03 -2.13 -0.15 0.00 0.00 0.00 0.00 60.65 58.39 1woi s ILE 202 Cb -0.16 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.30 1woi s ILE 202 CO -0.03 -0.64 1.20 -2.84 0.00 0.00 0.00 174.94 172.64 1woi s PRO 203 N 1.06 2.25 0.58 2.79 0.02 -1.26 -1.26 135.00 139.18 1woi s PRO 203 Ca 0.09 1.75 0.28 0.00 0.02 0.00 0.00 61.00 63.14 1woi s PRO 203 Cb -0.21 -1.85 1.65 0.00 0.02 0.00 0.00 34.50 34.11 1woi s PRO 203 CO -0.05 -1.75 2.14 1.98 -0.33 0.00 0.00 177.00 178.99 1woi h MET 204 N -0.16 0.00 -0.78 5.54 4.05 -1.23 0.26 114.93 122.61 1woi h MET 204 Ca -0.48 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.95 1woi h MET 204 Cb 1.29 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 32.05 1woi h MET 204 CO 0.50 0.00 0.52 -0.44 0.23 0.00 0.00 176.91 177.72 1woi h ASP 205 N 0.00 0.88 -0.74 1.39 3.32 -1.90 -1.16 116.42 118.22 1woi h ASP 205 Ca 0.06 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 1woi h ASP 205 Cb 0.33 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 1woi h ASP 205 CO -0.00 0.64 0.22 0.44 -1.72 0.00 0.00 179.24 178.82 1woi h ASP 206 N 1.04 1.08 -0.17 6.45 5.19 -1.28 -0.63 116.42 128.10 1woi h ASP 206 Ca 0.29 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1woi h ASP 206 Cb -0.10 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.13 1woi h ASP 206 CO -0.07 1.00 -0.01 0.58 -3.12 0.00 0.00 179.24 177.63 1woi h VAL 207 N 1.10 1.26 -0.76 -1.35 2.07 -1.34 -0.63 116.25 116.61 1woi h VAL 207 Ca 0.24 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1woi h VAL 207 Cb 0.32 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1woi h VAL 207 CO -0.01 0.26 0.25 0.74 0.02 0.00 0.00 177.57 178.83 1woi h THR 208 N 0.05 1.26 -0.07 2.57 2.02 -1.12 -2.62 112.91 115.00 1woi h THR 208 Ca 0.05 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.26 1woi h THR 208 Cb 0.40 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1woi h THR 208 CO 0.01 0.36 -0.21 0.00 0.37 0.00 0.00 175.52 176.05 1woi h ALA 209 N 1.13 0.12 -1.60 6.16 0.00 -1.08 -3.43 119.26 120.57 1woi h ALA 209 Ca 0.25 -0.39 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 1woi h ALA 209 Cb 0.30 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.81 1woi h ALA 209 CO -0.01 0.09 -0.62 0.34 0.00 0.00 0.00 179.25 179.05 1woi s ASP 210 N -6.21 0.11 0.29 0.00 2.15 -0.25 -5.00 116.67 107.76 1woi s ASP 210 Ca -0.15 -1.50 -0.02 0.00 0.43 0.00 0.00 52.55 51.31 1woi s ASP 210 Cb 0.03 1.04 0.42 0.00 -0.30 0.00 0.00 42.92 44.11 1woi s ASP 210 CO 0.75 -0.20 1.90 0.25 -0.17 0.00 0.00 175.17 177.70 1woi h LEU 211 N 6.68 0.88 -1.13 -1.34 7.12 -1.61 -1.85 115.31 124.05 1woi h LEU 211 Ca 0.07 -0.08 0.04 0.00 0.13 0.00 0.00 57.88 58.04 1woi h LEU 211 Cb 1.09 -0.22 -0.05 0.00 -0.53 0.00 0.00 40.66 40.94 1woi h LEU 211 CO 0.16 0.73 0.59 0.00 -0.13 0.00 0.00 178.44 179.79 1woi h ALA 212 N 1.41 1.44 -0.28 1.25 0.00 -1.92 -1.52 119.26 119.64 1woi h ALA 212 Ca 0.24 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1woi h ALA 212 Cb 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1woi h ALA 212 CO -0.04 0.47 -0.29 0.78 0.00 0.00 0.00 179.25 180.17 1woi h GLY 213 N 1.12 0.63 0.85 0.00 0.00 -1.71 -2.21 103.07 101.75 1woi h GLY 213 Ca 0.36 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1woi h GLY 213 CO -0.11 0.51 0.05 -2.08 0.00 0.00 0.00 176.54 174.90 1woi h VAL 214 N 0.50 1.21 -0.25 4.60 2.07 -0.87 -2.20 116.25 121.31 1woi h VAL 214 Ca 0.06 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1woi h VAL 214 Cb 0.76 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1woi h VAL 214 CO 0.06 0.20 0.17 -0.07 0.02 0.00 0.00 177.57 177.95 1woi h LEU 215 N 0.13 0.20 -1.23 2.57 3.38 -1.20 0.14 115.31 119.29 1woi h LEU 215 Ca 0.06 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1woi h LEU 215 Cb 0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1woi h LEU 215 CO 0.00 0.14 -0.24 0.00 0.09 0.00 0.00 178.44 178.43 1woi h ALA 216 N 1.86 1.07 -0.01 1.53 0.00 -0.88 -2.68 119.26 120.15 1woi h ALA 216 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1woi h ALA 216 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1woi h ALA 216 CO -0.02 0.30 -0.07 1.04 0.00 0.00 0.00 179.25 180.50 1woi n GLN 217 N -3.48 1.00 -1.85 0.00 6.02 0.49 -4.91 117.38 114.64 1woi n GLN 217 Ca -0.00 -0.37 -0.31 0.00 -0.01 0.00 0.00 57.00 56.30 1woi n GLN 217 Cb 0.41 -1.49 0.02 0.00 1.02 0.00 0.00 30.24 30.20 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 -2.26 3.29 0.76 1.08 1.43 -1.01 -5.03 118.68 116.94 1woi s LEU 218 Ca 0.35 1.59 -0.13 0.00 -1.03 0.00 0.00 54.13 54.91 1woi s LEU 218 Cb 0.21 -4.50 0.05 0.00 0.03 0.00 0.00 46.19 41.98 1woi s LEU 218 CO 0.42 -1.11 1.16 -2.16 0.23 0.00 0.00 176.35 174.89 1woi s PRO 219 N -4.77 2.08 -0.05 1.29 0.04 -1.26 -5.05 135.00 127.26 1woi s PRO 219 Ca 0.58 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1woi s PRO 219 Cb -0.13 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.59 1woi s PRO 219 CO 0.48 -1.84 -0.05 1.03 0.04 0.00 0.00 177.00 176.66 1woi s ARG 220 N -4.22 0.98 -1.55 4.56 0.52 -1.26 -4.77 118.95 113.21 1woi s ARG 220 Ca 0.70 -0.14 -0.01 0.00 -0.52 0.00 0.00 55.73 55.76 1woi s ARG 220 Cb -0.24 -0.99 0.00 0.00 0.52 0.00 0.00 34.95 34.24 1woi s ARG 220 CO 0.48 -0.10 0.15 0.41 0.02 0.00 0.00 175.30 176.26 1woi n GLY 221 N 4.20 -0.40 3.65 -3.53 0.00 0.15 -5.00 105.19 104.25 1woi n GLY 221 Ca -0.22 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.11 2.15 -0.31 1.61 -1.52 -1.26 -4.89 119.66 110.31 1woi s GLN 222 Ca 0.08 -1.67 -0.25 0.00 -1.95 0.00 0.00 55.36 51.56 1woi s GLN 222 Cb -0.03 -2.00 0.01 0.00 -0.22 0.00 0.00 33.01 30.77 1woi s GLN 222 CO 0.09 0.16 0.88 -0.80 -0.25 0.00 0.00 175.29 175.38 1woi s ASN 223 N -3.73 6.74 -0.08 5.90 0.01 -1.26 -0.96 114.94 121.56 1woi s ASN 223 Ca 0.35 0.77 0.05 0.00 -0.71 0.00 0.00 52.86 53.31 1woi s ASN 223 Cb -0.01 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 1woi s ASN 223 CO 0.20 -0.71 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.16 1woi s VAL 224 N 3.19 2.17 -0.21 1.60 1.01 0.72 -0.69 120.40 128.20 1woi s VAL 224 Ca 0.37 -1.00 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1woi s VAL 224 Cb -0.13 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1woi s VAL 224 CO 0.14 0.56 0.01 -0.47 0.00 0.00 0.00 175.10 175.34 1woi s TYR 225 N 0.10 3.06 0.00 5.22 5.04 0.38 -0.94 117.35 130.20 1woi s TYR 225 Ca -0.11 -0.42 -0.19 0.00 -2.44 0.00 0.00 57.07 53.91 1woi s TYR 225 Cb -0.16 -2.11 -0.06 0.00 0.35 0.00 0.00 41.96 39.99 1woi s TYR 225 CO 0.06 -0.23 0.54 -0.06 -1.34 0.00 0.00 175.55 174.52 1woi s PHE 226 N 1.05 3.70 -0.23 4.97 2.99 -0.16 -1.48 117.98 128.82 1woi s PHE 226 Ca 0.02 1.14 -0.01 0.00 0.00 0.00 0.00 56.93 58.09 1woi s PHE 226 Cb -0.14 -2.52 0.07 0.00 0.00 0.00 0.00 43.02 40.42 1woi s PHE 226 CO 0.02 0.43 0.02 0.45 -0.00 0.00 0.00 175.22 176.14 1woi s SER 227 N -0.44 3.42 -0.37 1.36 0.15 -0.42 -1.30 113.70 116.10 1woi s SER 227 Ca 0.29 -1.10 -0.09 0.00 0.70 0.00 0.00 55.95 55.75 1woi s SER 227 Cb -0.18 -0.83 0.04 0.00 -1.71 0.00 0.00 66.02 63.35 1woi s SER 227 CO 0.16 -0.31 0.17 -0.69 1.20 0.00 0.00 173.24 173.78 1woi s VAL 228 N 1.67 4.15 -0.24 4.45 1.01 -0.28 -1.54 120.40 129.61 1woi s VAL 228 Ca -0.00 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 60.70 1woi s VAL 228 Cb -0.18 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1woi s VAL 228 CO -0.11 -0.27 0.54 -0.62 0.00 0.00 0.00 175.10 174.65 1woi s ASP 229 N 1.59 6.50 0.67 3.32 -1.08 -0.48 -1.02 116.67 126.18 1woi s ASP 229 Ca 0.01 0.61 0.41 0.00 -0.52 0.00 0.00 52.55 53.06 1woi s ASP 229 Cb -0.20 -2.30 2.25 0.00 -1.46 0.00 0.00 42.92 41.21 1woi s ASP 229 CO 0.04 -0.28 2.27 -0.37 0.52 0.00 0.00 175.17 177.36 1woi h VAL 230 N 5.32 0.01 0.00 1.11 -1.51 -1.60 -0.76 116.25 118.83 1woi h VAL 230 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1woi h VAL 230 Cb 1.14 0.92 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1woi h VAL 230 CO 0.73 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.17 1woi n ASP 231 N -3.05 0.00 0.19 4.19 5.68 -1.26 -1.91 116.55 120.38 1woi n ASP 231 Ca -0.03 -0.78 0.05 0.00 -0.50 0.00 0.00 54.79 53.53 1woi n ASP 231 Cb 0.14 -0.02 0.35 0.00 -1.14 0.00 0.00 41.12 40.45 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 4.20 0.00 -2.06 6.12 0.00 -1.40 -3.35 103.07 106.59 1woi h GLY 232 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1woi h GLY 232 CO 0.00 0.00 0.28 -1.36 0.00 0.00 0.00 176.54 175.46 1woi s PHE 233 N -3.68 3.44 0.27 5.60 0.40 -0.80 -1.62 117.98 121.58 1woi s PHE 233 Ca -0.00 1.35 -0.30 0.00 -0.60 0.00 0.00 56.93 57.37 1woi s PHE 233 Cb 0.11 -2.68 -0.11 0.00 0.51 0.00 0.00 43.02 40.85 1woi s PHE 233 CO 0.69 -0.24 1.60 0.34 0.70 0.00 0.00 175.22 178.31 1woi s ASP 234 N -2.95 6.41 0.59 1.36 -1.08 0.47 -4.54 116.67 116.92 1woi s ASP 234 Ca 0.57 2.89 0.28 0.00 -0.52 0.00 0.00 52.55 55.77 1woi s ASP 234 Cb -0.10 -2.63 1.58 0.00 -1.46 0.00 0.00 42.92 40.31 1woi s ASP 234 CO 0.29 -0.90 2.02 -0.65 0.52 0.00 0.00 175.17 176.45 1woi h PRO 235 N 5.30 0.00 -0.18 4.34 0.11 -1.77 0.21 132.00 140.01 1woi h PRO 235 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.53 1woi h PRO 235 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1woi h PRO 235 CO 0.83 0.00 -0.39 0.00 -0.21 0.00 0.00 178.00 178.22 1woi h ALA 236 N 1.65 0.99 0.00 -0.75 0.00 -1.95 -1.58 119.26 117.62 1woi h ALA 236 Ca 0.14 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1woi h ALA 236 Cb 0.76 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1woi h ALA 236 CO -0.00 0.61 -0.11 0.28 0.00 0.00 0.00 179.25 180.03 1woi h VAL 237 N 0.35 1.25 -3.03 0.00 2.07 -1.03 -3.42 116.25 112.44 1woi h VAL 237 Ca 0.03 -1.98 -0.62 0.00 0.82 0.00 0.00 66.70 64.96 1woi h VAL 237 Cb 0.84 2.41 -0.41 0.00 -1.52 0.00 0.00 31.29 32.61 1woi h VAL 237 CO 0.07 0.42 -0.64 -0.63 0.02 0.00 0.00 177.57 176.82 1woi s ILE 238 N -2.07 2.46 -0.16 4.57 -1.09 -0.24 -4.65 121.20 120.01 1woi s ILE 238 Ca -0.15 -3.85 0.29 0.00 -2.23 0.00 0.00 60.65 54.71 1woi s ILE 238 Cb -0.01 -2.64 0.36 0.00 -1.58 0.00 0.00 42.46 38.59 1woi s ILE 238 CO 0.50 -1.00 1.82 1.55 -1.23 0.00 0.00 174.94 176.59 1woi h PRO 239 N 5.66 0.00 -5.34 2.79 0.13 -1.53 -3.40 132.00 130.31 1woi h PRO 239 Ca 0.12 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.66 1woi h PRO 239 Cb 0.80 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 1woi h PRO 239 CO 0.66 0.00 2.06 0.41 -0.23 0.00 0.00 178.00 180.89 1woi n GLY 240 N 0.49 2.44 3.47 1.56 0.00 -1.26 -4.79 105.19 107.09 1woi n GLY 240 Ca 0.02 -1.26 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 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 5.98 0.00 0.07 2.61 -1.32 -1.26 -0.52 115.64 121.19 1woi s THR 241 Ca 0.57 -0.03 -0.30 0.00 -1.21 0.00 0.00 61.69 60.72 1woi s THR 241 Cb 0.05 -0.99 -0.18 0.00 -1.51 0.00 0.00 72.50 69.87 1woi s THR 241 CO 0.07 -0.02 1.61 -1.28 -2.21 0.00 0.00 174.62 172.80 1woi h SER 242 N 2.60 -0.56 -2.97 8.08 0.87 -1.78 -3.39 113.55 116.41 1woi h SER 242 Ca -0.30 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.63 1woi h SER 242 Cb 1.21 0.14 -0.41 0.00 -0.44 0.00 0.00 62.40 62.91 1woi h SER 242 CO 0.39 -0.37 -0.48 -1.20 -0.53 0.00 0.00 176.83 174.63 1woi n SER 243 N -5.36 3.39 -4.77 6.23 7.64 -1.26 -4.54 113.62 114.95 1woi n SER 243 Ca -0.12 -3.25 -0.36 0.00 1.01 0.00 0.00 58.87 56.15 1woi n SER 243 Cb 0.28 -0.80 -0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 -1.66 3.53 -0.05 1.43 0.04 -1.26 -4.99 135.00 132.05 1woi s PRO 244 Ca 0.28 1.73 0.02 0.00 0.04 0.00 0.00 61.00 63.06 1woi s PRO 244 Cb -0.01 -2.22 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1woi s PRO 244 CO -0.13 -0.73 -0.09 -2.00 0.04 0.00 0.00 177.00 174.09 1woi s GLU 245 N -2.97 1.30 0.89 4.56 2.56 -1.26 -5.08 118.70 118.70 1woi s GLU 245 Ca 0.68 -0.27 -0.11 0.00 0.00 0.00 0.00 54.97 55.27 1woi s GLU 245 Cb -0.27 -1.14 0.13 0.00 2.00 0.00 0.00 34.13 34.85 1woi s GLU 245 CO 0.32 -0.02 1.11 -1.25 -0.56 0.00 0.00 175.26 174.86 1woi s PRO 246 N 0.77 1.24 -1.04 4.30 0.04 -1.26 -4.29 135.00 134.75 1woi s PRO 246 Ca -0.13 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.10 1woi s PRO 246 Cb -0.15 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1woi s PRO 246 CO 0.02 -2.38 0.89 -0.25 0.04 0.00 0.00 177.00 175.32 1woi n ASP 247 N -4.04 -6.56 -1.15 6.66 8.00 -1.26 -4.93 116.55 113.28 1woi n ASP 247 Ca 0.10 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.88 1woi n ASP 247 Cb 0.53 -4.99 0.00 0.00 -0.02 0.00 0.00 41.12 36.64 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 -1.31 3.04 3.77 0.44 0.00 -1.26 -4.94 105.19 104.93 1woi n GLY 248 Ca -0.07 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.47 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 4.15 0.64 0.99 1.43 -0.64 -4.10 118.68 121.14 1woi s LEU 249 Ca 0.00 2.40 -0.08 0.00 -1.03 0.00 0.00 54.13 55.42 1woi s LEU 249 Cb 0.00 -4.06 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1woi s LEU 249 CO 0.00 -0.78 0.97 0.42 0.23 0.00 0.00 176.35 177.19 1woi s THR 250 N -1.42 3.43 0.13 5.49 -4.23 -1.26 -0.40 115.64 117.39 1woi s THR 250 Ca 0.59 0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 61.00 1woi s THR 250 Cb -0.32 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 1woi s THR 250 CO 0.40 -0.45 1.70 0.22 -0.54 0.00 0.00 174.62 175.95 1woi h TYR 251 N -0.36 -0.09 -0.65 3.99 3.20 -1.97 -2.08 116.97 119.00 1woi h TYR 251 Ca -0.45 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.54 1woi h TYR 251 Cb 1.26 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 39.53 1woi h TYR 251 CO 0.46 -0.08 0.25 0.00 -1.64 0.00 0.00 178.16 177.15 1woi h ALA 252 N 1.21 0.86 -0.31 1.82 0.00 -1.98 -0.05 119.26 120.80 1woi h ALA 252 Ca 0.10 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1woi h ALA 252 Cb 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1woi h ALA 252 CO -0.21 -0.19 0.06 1.96 0.00 0.00 0.00 179.25 180.87 1woi h GLN 253 N 0.43 0.51 -0.63 0.00 4.20 -1.85 0.12 115.11 117.90 1woi h GLN 253 Ca 0.34 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1woi h GLN 253 Cb 0.44 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 1woi h GLN 253 CO -0.33 0.60 0.31 0.78 -0.67 0.00 0.00 178.83 179.51 1woi h GLY 254 N 0.34 0.96 1.06 3.46 0.00 -0.95 -2.10 103.07 105.84 1woi h GLY 254 Ca 0.10 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.86 1woi h GLY 254 CO 0.00 0.45 -0.00 1.98 0.00 0.00 0.00 176.54 178.97 1woi h MET 255 N 0.86 1.02 -0.93 4.80 1.85 -0.85 -1.93 114.93 119.75 1woi h MET 255 Ca 0.22 -0.33 0.05 0.00 -0.61 0.00 0.00 59.70 59.03 1woi h MET 255 Cb 0.10 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 31.98 1woi h MET 255 CO -0.03 1.01 0.61 0.87 -0.40 0.00 0.00 176.91 178.97 1woi h LYS 256 N 0.92 1.08 -0.09 0.39 1.57 -0.44 0.40 116.57 120.40 1woi h LYS 256 Ca 0.16 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1woi h LYS 256 Cb 0.55 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1woi h LYS 256 CO 0.03 0.72 -0.01 0.82 -0.57 0.00 0.00 179.45 180.43 1woi h ILE 257 N 1.12 1.28 -0.45 1.86 2.04 -1.07 -1.24 117.51 121.06 1woi h ILE 257 Ca 0.39 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 1woi h ILE 257 Cb 0.11 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1woi h ILE 257 CO -0.14 0.25 0.26 -0.07 0.00 0.00 0.00 178.15 178.45 1woi h LEU 258 N -0.16 0.55 -0.57 1.44 3.38 -0.84 -2.02 115.31 117.09 1woi h LEU 258 Ca 0.02 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.97 1woi h LEU 258 Cb 0.40 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1woi h LEU 258 CO 0.01 0.46 0.31 0.00 0.09 0.00 0.00 178.44 179.30 1woi h ALA 259 N 1.11 0.74 -0.14 1.53 0.00 -0.17 0.03 119.26 122.37 1woi h ALA 259 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1woi h ALA 259 Cb 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1woi h ALA 259 CO -0.03 -0.02 0.07 0.00 0.00 0.00 0.00 179.25 179.26 1woi h ALA 260 N 1.30 0.18 -0.78 0.00 0.00 -0.94 -1.97 119.26 117.05 1woi h ALA 260 Ca 0.25 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1woi h ALA 260 Cb 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1woi h ALA 260 CO -0.16 -0.26 0.30 0.00 0.00 0.00 0.00 179.25 179.14 1woi h ALA 261 N 0.94 1.01 -0.12 0.00 0.00 -1.12 -2.61 119.26 117.36 1woi h ALA 261 Ca 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1woi h ALA 261 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1woi h ALA 261 CO -0.01 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.78 1woi h ALA 262 N 1.16 1.61 0.00 0.00 0.00 -0.80 -1.92 119.26 119.31 1woi h ALA 262 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1woi h ALA 262 Cb 0.23 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1woi h ALA 262 CO -0.02 0.29 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 1woi h ALA 263 N 1.73 0.96 -0.19 0.00 0.00 -0.99 -3.34 119.26 117.42 1woi h ALA 263 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1woi h ALA 263 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1woi h ALA 263 CO 0.02 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1woi n ASN 264 N -3.09 2.56 -4.03 0.00 3.02 -1.00 -4.98 115.26 107.74 1woi n ASN 264 Ca 0.04 -2.07 -0.11 0.00 -0.03 0.00 0.00 54.58 52.41 1woi n ASN 264 Cb 0.55 -0.15 -0.07 0.00 -0.61 0.00 0.00 39.78 39.49 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 -1.09 0.10 -0.47 6.41 0.01 -0.76 0.30 114.94 119.45 1woi s ASN 265 Ca 0.14 -1.18 -0.19 0.00 -0.71 0.00 0.00 52.86 50.93 1woi s ASN 265 Cb 0.08 0.50 0.04 0.00 0.41 0.00 0.00 41.25 42.28 1woi s ASN 265 CO 0.09 -1.02 0.59 -0.89 -1.51 0.00 0.00 177.10 174.35 1woi s THR 266 N -4.02 4.91 -0.33 1.60 2.01 -0.13 -4.83 115.64 114.86 1woi s THR 266 Ca 0.30 -0.29 -0.27 0.00 0.31 0.00 0.00 61.69 61.75 1woi s THR 266 Cb 0.03 -4.21 0.01 0.00 0.01 0.00 0.00 72.50 68.34 1woi s THR 266 CO 0.11 -0.66 0.99 -0.69 -0.69 0.00 0.00 174.62 173.68 1woi s VAL 267 N 2.56 4.58 -1.03 3.82 1.01 -1.26 -0.20 120.40 129.89 1woi s VAL 267 Ca 0.16 1.50 0.23 0.00 0.00 0.00 0.00 61.98 63.87 1woi s VAL 267 Cb -0.17 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 31.74 1woi s VAL 267 CO 0.14 -0.45 1.14 1.33 0.00 0.00 0.00 175.10 177.26 1woi n VAL 268 N 5.84 0.00 0.00 2.92 0.24 -0.12 -4.85 118.33 122.36 1woi n VAL 268 Ca 0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1woi n VAL 268 Cb 0.48 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.52 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 1.50 1.36 3.33 7.63 0.00 -1.25 -4.29 105.19 113.46 1woi n GLY 269 Ca 0.05 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 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 0.34 0.12 0.99 0.20 -0.86 -0.98 118.68 118.49 1woi s LEU 270 Ca 0.00 0.87 0.10 0.00 0.69 0.00 0.00 54.13 55.79 1woi s LEU 270 Cb 0.00 1.49 -0.04 0.00 -0.43 0.00 0.00 46.19 47.21 1woi s LEU 270 CO 0.00 -0.15 -0.23 1.51 -0.29 0.00 0.00 176.35 177.19 1woi s ASP 271 N 0.23 2.90 -0.22 3.68 1.47 -0.42 -0.20 116.67 124.12 1woi s ASP 271 Ca -0.00 -0.73 0.00 0.00 1.18 0.00 0.00 52.55 53.00 1woi s ASP 271 Cb -0.03 -0.18 0.06 0.00 -0.34 0.00 0.00 42.92 42.43 1woi s ASP 271 CO 0.01 0.10 -0.05 -0.22 0.68 0.00 0.00 175.17 175.69 1woi s LEU 272 N -2.06 2.29 0.33 2.11 1.98 -0.01 -1.13 118.68 122.19 1woi s LEU 272 Ca 0.11 -1.07 0.06 0.00 -2.89 0.00 0.00 54.13 50.34 1woi s LEU 272 Cb -0.10 -1.09 -0.07 0.00 0.66 0.00 0.00 46.19 45.60 1woi s LEU 272 CO 0.05 -0.23 -0.00 0.68 -1.89 0.00 0.00 176.35 174.96 1woi s VAL 273 N 1.47 1.61 -0.27 1.68 -7.23 -0.19 -0.36 120.40 117.12 1woi s VAL 273 Ca -0.04 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1woi s VAL 273 Cb -0.18 -2.72 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1woi s VAL 273 CO -0.07 -0.11 0.00 -0.62 -0.31 0.00 0.00 175.10 173.99 1woi n GLU 274 N -0.73 -1.17 -2.30 4.82 -0.58 -0.42 -1.59 120.64 118.66 1woi n GLU 274 Ca -0.04 0.43 -0.42 0.00 -0.42 0.00 0.00 57.16 56.72 1woi n GLU 274 Cb 0.65 -4.39 -0.03 0.00 -0.57 0.00 0.00 31.44 27.11 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 -0.57 4.41 -0.49 -4.62 0.20 -1.26 -4.22 118.68 112.13 1woi s LEU 275 Ca 0.00 2.25 0.03 0.00 0.69 0.00 0.00 54.13 57.10 1woi s LEU 275 Cb 0.00 -3.60 0.14 0.00 -0.43 0.00 0.00 46.19 42.31 1woi s LEU 275 CO 0.00 -0.49 0.29 0.00 -0.29 0.00 0.00 176.35 175.86 1woi s ALA 276 N 0.46 2.50 0.29 5.97 0.00 0.32 -3.78 121.76 127.52 1woi s ALA 276 Ca 0.57 -2.87 0.04 0.00 0.00 0.00 0.00 51.96 49.71 1woi s ALA 276 Cb -0.34 -1.94 0.68 0.00 0.00 0.00 0.00 23.12 21.52 1woi s ALA 276 CO 0.34 -2.05 1.78 -1.35 0.00 0.00 0.00 175.76 174.48 1woi h PRO 277 N 6.40 0.74 0.00 0.00 0.11 -1.80 -0.91 132.00 136.52 1woi h PRO 277 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1woi h PRO 277 Cb 0.89 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1woi h PRO 277 CO 0.54 0.49 0.00 0.27 -0.21 0.00 0.00 178.00 179.09 1woi n ASN 278 N -4.77 0.58 -0.97 -2.05 6.94 -1.26 -1.73 115.26 111.99 1woi n ASN 278 Ca 0.22 0.72 0.12 0.00 -0.02 0.00 0.00 54.58 55.62 1woi n ASN 278 Cb 0.53 -0.81 0.17 0.00 -2.36 0.00 0.00 39.78 37.30 1woi n ASN 278 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1woi n LEU 279 N -2.22 3.00 -3.56 -4.53 4.77 -0.35 -4.68 117.00 109.43 1woi n LEU 279 Ca -0.00 -1.09 -0.29 0.00 -0.03 0.00 0.00 56.01 54.60 1woi n LEU 279 Cb 0.11 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 1woi n LEU 279 CO 0.13 0.55 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.84 1woi s ASP 280 N -1.85 3.03 0.09 -1.43 3.68 -0.71 -4.44 116.67 115.04 1woi s ASP 280 Ca 0.32 -2.57 0.13 0.00 2.13 0.00 0.00 52.55 52.55 1woi s ASP 280 Cb 0.21 -0.69 0.57 0.00 -1.45 0.00 0.00 42.92 41.56 1woi s ASP 280 CO 0.31 -0.26 1.39 -0.81 0.13 0.00 0.00 175.17 175.93 1woi n PRO 281 N 3.56 0.05 0.14 4.34 -0.04 -1.26 -1.69 135.00 140.11 1woi n PRO 281 Ca 0.14 0.41 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 1woi n PRO 281 Cb 0.38 -1.63 0.32 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.93 -3.47 112.91 109.38 1woi h THR 282 Ca 0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1woi h THR 282 Cb 0.16 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 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 1.24 0.85 0.22 5.82 0.00 -0.68 -4.87 105.19 107.77 1woi n GLY 283 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 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 1.92 0.00 0.19 1.61 0.11 -1.91 -2.88 114.38 113.41 1woi h ARG 284 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woi h ARG 284 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1woi h ARG 284 CO 0.00 0.23 -0.13 0.77 0.10 0.00 0.00 179.97 180.94 1woi h SER 285 N 0.00 -0.33 0.33 0.08 0.02 -1.89 0.01 113.55 111.78 1woi h SER 285 Ca -0.00 0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1woi h SER 285 Cb 0.48 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 1woi h SER 285 CO 0.03 -0.21 -0.48 1.05 -1.14 0.00 0.00 176.83 176.08 1woi h GLU 286 N -0.32 0.18 -0.12 3.45 9.09 -1.91 -1.92 114.58 123.02 1woi h GLU 286 Ca -0.01 -0.10 -0.02 0.00 0.05 0.00 0.00 59.36 59.28 1woi h GLU 286 Cb 0.28 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1woi h GLU 286 CO 0.00 0.62 -0.02 -0.07 0.05 0.00 0.00 179.01 179.60 1woi h LEU 287 N 0.14 0.22 -0.63 3.06 3.38 -1.29 -1.19 115.31 119.02 1woi h LEU 287 Ca 0.01 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 1woi h LEU 287 Cb 0.91 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1woi h LEU 287 CO 0.07 0.51 -0.12 -0.07 0.09 0.00 0.00 178.44 178.93 1woi h LEU 288 N -0.07 0.96 -0.70 1.67 4.07 -0.97 -2.09 115.31 118.17 1woi h LEU 288 Ca 0.03 -0.31 -0.14 0.00 0.08 0.00 0.00 57.88 57.54 1woi h LEU 288 Cb 0.41 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1woi h LEU 288 CO 0.01 1.08 -0.56 0.24 -1.08 0.00 0.00 178.44 178.13 1woi h MET 289 N 0.85 0.26 -0.51 1.13 2.86 -1.34 0.29 114.93 118.47 1woi h MET 289 Ca 0.13 -0.16 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1woi h MET 289 Cb 0.66 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1woi h MET 289 CO 0.05 0.75 -0.18 0.00 1.06 0.00 0.00 176.91 178.59 1woi h ALA 290 N 1.22 0.72 -0.41 6.32 0.00 -1.13 -2.17 119.26 123.80 1woi h ALA 290 Ca -0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1woi h ALA 290 Cb 1.05 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1woi h ALA 290 CO 0.09 0.68 -0.09 -0.09 0.00 0.00 0.00 179.25 179.84 1woi h ARG 291 N 0.88 0.72 -0.45 0.00 2.43 -1.08 -2.48 114.38 114.41 1woi h ARG 291 Ca 0.12 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1woi h ARG 291 Cb 0.75 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 1woi h ARG 291 CO 0.06 0.80 0.27 1.25 -1.51 0.00 0.00 179.97 180.84 1woi h LEU 292 N 0.66 0.45 -0.34 3.80 5.85 -0.53 0.20 115.31 125.40 1woi h LEU 292 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1woi h LEU 292 Cb 0.54 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1woi h LEU 292 CO 0.03 0.32 0.21 0.58 -0.34 0.00 0.00 178.44 179.24 1woi h VAL 293 N 0.55 1.11 -0.59 1.05 2.07 -1.21 -0.31 116.25 118.92 1woi h VAL 293 Ca 0.18 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1woi h VAL 293 Cb -0.00 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1woi h VAL 293 CO -0.07 0.11 0.10 0.24 0.02 0.00 0.00 177.57 177.96 1woi h MET 294 N 0.45 0.97 -0.20 1.57 2.86 -1.03 -1.83 114.93 117.72 1woi h MET 294 Ca 0.12 -0.26 -0.09 0.00 -2.06 0.00 0.00 59.70 57.41 1woi h MET 294 Cb -0.01 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.52 1woi h MET 294 CO -0.02 0.92 -0.27 1.49 1.06 0.00 0.00 176.91 180.08 1woi h GLU 295 N 0.87 0.38 -0.49 1.72 4.81 -0.42 -1.32 114.58 120.13 1woi h GLU 295 Ca 0.18 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1woi h GLU 295 Cb 0.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1woi h GLU 295 CO 0.01 0.62 0.08 1.15 -0.73 0.00 0.00 179.01 180.15 1woi h THR 296 N 0.33 1.25 -0.67 0.32 2.02 -0.72 -2.23 112.91 113.20 1woi h THR 296 Ca 0.05 -0.92 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 1woi h THR 296 Cb 0.66 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.94 1woi h THR 296 CO 0.05 0.33 0.28 -0.07 0.37 0.00 0.00 175.52 176.47 1woi h LEU 297 N 0.68 0.90 -0.23 2.58 3.38 -0.98 -0.60 115.31 121.03 1woi h LEU 297 Ca 0.15 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1woi h LEU 297 Cb 0.39 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1woi h LEU 297 CO 0.01 0.80 -0.07 0.00 0.09 0.00 0.00 178.44 179.27 1woi h GLU 299 N -0.02 0.64 0.30 0.00 4.39 -0.87 -1.02 114.58 118.01 1woi h GLU 299 Ca 0.12 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1woi h GLU 299 Cb 0.19 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1woi h GLU 299 CO -0.25 0.52 -0.33 0.28 -1.16 0.00 0.00 179.01 178.07 1woi h VAL 300 N 0.59 0.32 0.00 3.13 2.07 -0.66 -2.75 116.25 118.95 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 0.08 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1woi h VAL 300 CO -0.02 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.31 1woi h PHE 301 N -0.67 0.00 -0.00 1.57 -1.00 -1.25 -2.08 116.94 113.51 1woi h PHE 301 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1woi h PHE 301 Cb 0.62 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.18 1woi h PHE 301 CO -0.21 0.00 -0.08 -3.47 -1.61 0.00 0.00 178.31 172.94 1woi n ASP 302 N -2.49 0.27 -0.11 2.17 2.03 -0.39 -4.09 116.55 113.93 1woi n ASP 302 Ca 0.03 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.03 1woi n ASP 302 Cb 0.34 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1woi n ASP 302 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1woi n HIS 303 N -1.15 0.00 -2.10 -0.67 8.25 -1.12 -5.06 115.22 113.36 1woi n HIS 303 Ca 0.13 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.21 1woi n HIS 303 Cb 0.27 0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 0.00 2.74 -2.00 1.59 1.01 -0.80 -4.93 120.40 118.01 1woi s VAL 304 Ca 0.00 0.62 0.13 0.00 0.00 0.00 0.00 61.98 62.73 1woi s VAL 304 Cb 0.00 -3.35 0.38 0.00 0.00 0.00 0.00 36.38 33.41 1woi s VAL 304 CO 0.00 0.06 1.22 0.18 0.00 0.00 0.00 175.10 176.56