#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woh n PRO 4 N 0.00 -0.17 -4.45 1.61 -0.04 -1.26 -5.02 135.00 125.67 1woh n PRO 4 Ca 0.00 0.03 -0.31 0.00 -0.04 0.00 0.00 63.50 63.17 1woh n PRO 4 Cb 0.00 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 30.95 1woh n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1woh s ALA 5 N -2.40 2.91 0.63 0.55 0.00 -1.26 -5.11 121.76 117.08 1woh s ALA 5 Ca 0.70 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 1woh s ALA 5 Cb -0.26 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1woh s ALA 5 CO 0.55 0.61 1.17 -1.01 0.00 0.00 0.00 175.76 177.08 1woh s HIS 6 N -1.03 2.41 0.61 0.00 3.76 -1.26 -5.04 115.29 114.74 1woh s HIS 6 Ca 0.18 1.55 -0.05 0.00 -0.15 0.00 0.00 55.06 56.59 1woh s HIS 6 Cb -0.11 -3.38 0.03 0.00 1.11 0.00 0.00 32.58 30.23 1woh s HIS 6 CO 0.09 -2.09 0.90 -0.51 -0.85 0.00 0.00 174.74 172.28 1woh s LEU 7 N -4.43 3.14 0.46 0.89 2.01 -1.26 -4.92 118.68 114.57 1woh s LEU 7 Ca 0.74 0.49 0.24 0.00 0.01 0.00 0.00 54.13 55.60 1woh s LEU 7 Cb -0.27 -3.27 1.25 0.00 0.01 0.00 0.00 46.19 43.91 1woh s LEU 7 CO 0.36 -1.22 1.85 -0.65 1.01 0.00 0.00 176.35 177.71 1woh h PRO 8 N -0.23 0.23 -0.02 1.29 0.11 -1.97 0.30 132.00 131.72 1woh h PRO 8 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1woh h PRO 8 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1woh h PRO 8 CO 0.59 0.15 0.00 2.48 -0.21 0.00 0.00 178.00 181.01 1woh n TYR 9 N -4.43 0.01 -4.09 0.65 4.11 -1.26 -4.88 117.16 107.28 1woh n TYR 9 Ca 0.20 -0.01 -0.28 0.00 -0.00 0.00 0.00 57.90 57.82 1woh n TYR 9 Cb 0.84 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 40.12 1woh n TYR 9 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.86 177.06 1woh s GLY 10 N -1.96 1.83 0.00 -7.48 0.00 0.09 -5.04 107.32 94.76 1woh s GLY 10 Ca 0.41 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1woh s GLY 10 CO 0.34 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.89 1woh n GLY 11 N 0.00 -0.98 3.71 0.20 0.00 -1.26 -4.67 105.19 102.18 1woh n GLY 11 Ca -0.09 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1woh n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woh s ILE 12 N -1.98 4.35 -0.76 -0.61 -1.09 -1.26 -4.96 121.20 114.88 1woh s ILE 12 Ca 0.00 1.68 -0.26 0.00 -2.23 0.00 0.00 60.65 59.84 1woh s ILE 12 Cb 0.00 -4.08 0.02 0.00 -1.58 0.00 0.00 42.46 36.82 1woh s ILE 12 CO 0.00 0.11 1.47 -2.16 -1.23 0.00 0.00 174.94 173.12 1woh s PRO 13 N 1.24 3.09 0.27 2.79 0.04 -1.26 -4.93 135.00 136.25 1woh s PRO 13 Ca 0.56 -0.19 0.10 0.00 0.04 0.00 0.00 61.00 61.51 1woh s PRO 13 Cb -0.26 -4.45 -0.04 0.00 0.04 0.00 0.00 34.50 29.79 1woh s PRO 13 CO 0.27 -2.35 -0.01 0.95 0.04 0.00 0.00 177.00 175.90 1woh s THR 14 N 6.58 3.33 0.10 1.26 -4.23 -1.26 -4.72 115.64 116.69 1woh s THR 14 Ca 0.45 -1.95 -0.31 0.00 -1.18 0.00 0.00 61.69 58.71 1woh s THR 14 Cb -0.08 -2.80 -0.09 0.00 1.34 0.00 0.00 72.50 70.87 1woh s THR 14 CO 0.12 -0.37 1.61 0.12 -0.54 0.00 0.00 174.62 175.56 1woh s PHE 15 N -2.35 2.65 -1.46 3.99 5.36 -1.26 -1.69 117.98 123.22 1woh s PHE 15 Ca 0.32 0.44 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 1woh s PHE 15 Cb -0.06 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.68 1woh s PHE 15 CO 0.20 -3.65 0.00 0.00 -1.46 0.00 0.00 175.22 170.30 1woh n ALA 16 N 5.05 -0.64 -2.63 11.12 0.00 -1.26 -0.97 120.51 131.18 1woh n ALA 16 Ca 0.15 0.15 -0.17 0.00 0.00 0.00 0.00 53.44 53.57 1woh n ALA 16 Cb 0.40 -1.82 -0.00 0.00 0.00 0.00 0.00 19.45 18.03 1woh n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1woh n ARG 17 N -2.80 -2.60 -2.09 0.00 0.63 -0.68 -4.76 116.66 104.36 1woh n ARG 17 Ca -0.19 0.70 -0.32 0.00 -0.92 0.00 0.00 57.85 57.12 1woh n ARG 17 Cb 0.63 -5.36 -0.01 0.00 0.45 0.00 0.00 32.46 28.18 1woh n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woh s ALA 18 N -2.81 3.01 0.57 5.13 0.00 -0.14 -4.96 121.76 122.56 1woh s ALA 18 Ca 0.09 0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.95 1woh s ALA 18 Cb -0.05 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1woh s ALA 18 CO 0.12 -0.55 1.21 -1.25 0.00 0.00 0.00 175.76 175.29 1woh s PRO 19 N -4.57 3.13 0.16 0.00 0.04 -1.26 -4.56 135.00 127.94 1woh s PRO 19 Ca 0.58 1.85 -0.25 0.00 0.04 0.00 0.00 61.00 63.22 1woh s PRO 19 Cb -0.11 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1woh s PRO 19 CO 0.42 -1.09 0.76 -1.17 0.04 0.00 0.00 177.00 175.96 1woh s LEU 20 N -3.84 4.58 0.17 -3.56 2.96 -1.26 -1.18 118.68 116.55 1woh s LEU 20 Ca 0.75 1.61 -0.04 0.00 -0.22 0.00 0.00 54.13 56.23 1woh s LEU 20 Cb -0.31 -3.26 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1woh s LEU 20 CO 0.34 0.21 0.16 0.68 -1.32 0.00 0.00 176.35 176.43 1woh s VAL 21 N -1.15 0.05 -0.08 1.68 -7.23 -0.28 -4.90 120.40 108.48 1woh s VAL 21 Ca 0.35 -1.80 -0.05 0.00 -1.81 0.00 0.00 61.98 58.68 1woh s VAL 21 Cb -0.23 -2.18 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 1woh s VAL 21 CO 0.25 -0.23 0.13 -1.10 -0.31 0.00 0.00 175.10 173.85 1woh s GLN 22 N -4.07 3.36 0.31 4.82 -1.52 -1.26 -4.13 119.66 117.17 1woh s GLN 22 Ca 0.28 -0.24 0.09 0.00 -1.95 0.00 0.00 55.36 53.54 1woh s GLN 22 Cb 0.06 -3.10 0.89 0.00 -0.22 0.00 0.00 33.01 30.63 1woh s GLN 22 CO 0.06 0.73 1.68 -1.35 -0.25 0.00 0.00 175.29 176.16 1woh h PRO 23 N 4.61 0.37 -0.49 2.91 0.11 -1.94 -0.28 132.00 137.29 1woh h PRO 23 Ca -0.52 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.37 1woh h PRO 23 Cb 1.21 -0.08 -0.11 0.00 0.11 0.00 0.00 31.00 32.12 1woh h PRO 23 CO 0.61 0.25 0.11 -0.40 -0.21 0.00 0.00 178.00 178.36 1woh n ASP 24 N -5.04 3.46 -4.23 -2.05 5.75 -1.26 -4.05 116.55 109.12 1woh n ASP 24 Ca 0.26 -3.46 -0.29 0.00 -0.01 0.00 0.00 54.79 51.30 1woh n ASP 24 Cb 0.79 -0.66 0.17 0.00 -1.03 0.00 0.00 41.12 40.39 1woh n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1woh s GLY 25 N -1.93 1.77 -1.09 6.12 0.00 -0.12 -4.98 107.32 107.09 1woh s GLY 25 Ca 0.48 -1.24 -0.14 0.00 0.00 0.00 0.00 44.72 43.81 1woh s GLY 25 CO 0.06 -0.51 1.24 -0.35 0.00 0.00 0.00 173.10 173.55 1woh s ASP 26 N -4.86 6.99 0.21 1.64 2.15 -1.26 -4.95 116.67 116.59 1woh s ASP 26 Ca 0.73 -2.87 -0.11 0.00 0.43 0.00 0.00 52.55 50.72 1woh s ASP 26 Cb -0.04 -2.35 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1woh s ASP 26 CO 0.52 -0.72 0.40 -1.66 -0.17 0.00 0.00 175.17 173.54 1woh s TRP 27 N 1.16 0.35 -0.07 -5.34 1.48 -1.26 -5.13 118.94 110.13 1woh s TRP 27 Ca 0.36 -0.70 -0.14 0.00 -1.06 0.00 0.00 56.10 54.56 1woh s TRP 27 Cb -0.05 0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.38 1woh s TRP 27 CO -0.04 -0.87 0.35 -0.65 -4.06 0.00 0.00 176.95 171.68 1woh s GLN 28 N -3.99 0.56 -0.02 3.25 -0.21 -1.26 -4.83 119.66 113.16 1woh s GLN 28 Ca 0.20 0.16 -0.29 0.00 0.02 0.00 0.00 55.36 55.45 1woh s GLN 28 Cb 0.01 0.26 0.09 0.00 1.00 0.00 0.00 33.01 34.37 1woh s GLN 28 CO 0.04 -0.12 0.75 0.00 -2.12 0.00 0.00 175.29 173.84 1woh s ALA 29 N -0.58 -1.77 0.24 6.09 0.00 -0.68 -5.01 121.76 120.04 1woh s ALA 29 Ca -0.07 1.17 -0.05 0.00 0.00 0.00 0.00 51.96 53.01 1woh s ALA 29 Cb -0.04 0.09 0.26 0.00 0.00 0.00 0.00 23.12 23.43 1woh s ALA 29 CO 0.03 -0.48 1.77 -0.44 0.00 0.00 0.00 175.76 176.64 1woh h ASP 30 N 2.58 0.93 -3.73 0.00 3.32 -1.78 -3.01 116.42 114.72 1woh h ASP 30 Ca -0.26 -0.19 -0.36 0.00 0.02 0.00 0.00 57.03 56.24 1woh h ASP 30 Cb 1.19 -0.24 -0.31 0.00 0.22 0.00 0.00 39.33 40.19 1woh h ASP 30 CO 0.36 0.90 -0.76 -0.69 -1.72 0.00 0.00 179.24 177.33 1woh s VAL 31 N -5.25 0.46 -0.02 -1.35 1.01 -0.46 -1.31 120.40 113.48 1woh s VAL 31 Ca -0.11 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1woh s VAL 31 Cb 0.15 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1woh s VAL 31 CO 0.83 0.17 -0.05 0.00 0.00 0.00 0.00 175.10 176.04 1woh s ALA 32 N 0.32 0.56 -0.00 5.51 0.00 -1.16 -1.08 121.76 125.91 1woh s ALA 32 Ca -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.78 1woh s ALA 32 Cb -0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 1woh s ALA 32 CO -0.00 0.05 0.16 0.00 0.00 0.00 0.00 175.76 175.97 1woh s ALA 33 N 0.43 3.86 -0.06 0.00 0.00 -0.04 -0.64 121.76 125.32 1woh s ALA 33 Ca -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.09 1woh s ALA 33 Cb -0.09 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.27 1woh s ALA 33 CO -0.00 0.74 0.11 -1.17 0.00 0.00 0.00 175.76 175.43 1woh s LEU 34 N -1.94 0.46 0.15 0.00 2.96 -0.07 -0.32 118.68 119.92 1woh s LEU 34 Ca 0.27 0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 54.33 1woh s LEU 34 Cb -0.12 0.14 -0.06 0.00 0.50 0.00 0.00 46.19 46.65 1woh s LEU 34 CO 0.18 -0.19 0.41 -0.83 -1.32 0.00 0.00 176.35 174.60 1woh s GLY 35 N 1.67 2.25 -0.47 7.98 0.00 -0.04 -1.20 107.32 117.51 1woh s GLY 35 Ca -0.03 -0.50 0.04 0.00 0.00 0.00 0.00 44.72 44.23 1woh s GLY 35 CO -0.05 -0.40 0.35 0.14 0.00 0.00 0.00 173.10 173.14 1woh s VAL 36 N -1.66 1.00 -1.17 1.40 1.01 0.51 -1.40 120.40 120.08 1woh s VAL 36 Ca 0.41 -2.90 -0.14 0.00 0.00 0.00 0.00 61.98 59.35 1woh s VAL 36 Cb -0.12 -1.69 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1woh s VAL 36 CO 0.24 -1.12 2.24 -0.81 0.00 0.00 0.00 175.10 175.65 1woh n PRO 37 N 2.86 2.44 -4.10 2.72 -0.04 -1.26 -3.18 135.00 134.43 1woh n PRO 37 Ca 0.23 -2.07 -0.31 0.00 -0.04 0.00 0.00 63.50 61.31 1woh n PRO 37 Cb 0.42 -2.92 -0.16 0.00 -0.04 0.00 0.00 33.50 30.80 1woh n PRO 37 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1woh s PHE 38 N 3.61 2.45 -0.00 0.54 5.36 -1.26 -4.72 117.98 123.96 1woh s PHE 38 Ca 0.53 -1.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.09 1woh s PHE 38 Cb 0.14 -1.74 0.00 0.00 -0.34 0.00 0.00 43.02 41.08 1woh s PHE 38 CO -0.01 -0.73 0.92 -0.40 -1.46 0.00 0.00 175.22 173.54 1woh n ASP 39 N 4.66 0.04 -0.02 6.13 5.68 -1.26 -0.07 116.55 131.71 1woh n ASP 39 Ca -0.19 -1.85 0.16 0.00 -0.50 0.00 0.00 54.79 52.41 1woh n ASP 39 Cb 0.50 -0.17 0.87 0.00 -1.14 0.00 0.00 41.12 41.18 1woh n ASP 39 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1woh n ILE 40 N -0.02 0.00 1.00 2.12 -5.35 -1.26 -3.37 119.36 112.48 1woh n ILE 40 Ca 0.00 -0.01 0.11 0.00 -0.27 0.00 0.00 62.75 62.58 1woh n ILE 40 Cb 0.66 -0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.13 1woh n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1woh n ALA 41 N -1.04 4.33 -1.59 -1.28 0.00 -1.26 -4.96 120.51 114.72 1woh n ALA 41 Ca 0.21 -0.51 -0.31 0.00 0.00 0.00 0.00 53.44 52.82 1woh n ALA 41 Cb 0.16 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 18.76 1woh n ALA 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1woh s LEU 42 N -2.99 3.22 -0.07 0.00 0.05 -1.22 -2.87 118.68 114.81 1woh s LEU 42 Ca 0.09 1.67 0.16 0.00 0.05 0.00 0.00 54.13 56.11 1woh s LEU 42 Cb 0.17 -4.51 0.56 0.00 -2.05 0.00 0.00 46.19 40.36 1woh s LEU 42 CO 0.81 -1.38 1.48 0.61 -0.55 0.00 0.00 176.35 177.31 1woh n GLY 43 N -1.72 2.93 0.00 -3.48 0.00 -1.26 -4.95 105.19 96.72 1woh n GLY 43 Ca 0.08 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1woh n GLY 43 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1woh n PHE 44 N 0.77 0.00 -3.57 1.61 -0.00 -1.26 -5.11 117.46 109.90 1woh n PHE 44 Ca 0.21 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.27 1woh n PHE 44 Cb 0.72 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 40.09 1woh n PHE 44 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1woh s ARG 45 N 0.95 3.67 1.00 -4.13 0.52 -1.26 -5.09 118.95 114.62 1woh s ARG 45 Ca 0.00 -0.51 -0.14 0.00 -0.52 0.00 0.00 55.73 54.56 1woh s ARG 45 Cb 0.00 -3.71 0.19 0.00 0.52 0.00 0.00 34.95 31.94 1woh s ARG 45 CO 0.00 -0.33 1.12 -1.25 0.02 0.00 0.00 175.30 174.87 1woh s PRO 46 N 1.73 0.42 0.00 3.54 0.04 -1.26 -4.45 135.00 135.02 1woh s PRO 46 Ca 0.06 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.38 1woh s PRO 46 Cb -0.17 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1woh s PRO 46 CO 0.10 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 174.87 1woh n GLY 47 N -1.64 1.13 0.30 0.56 0.00 -1.26 -4.94 105.19 99.34 1woh n GLY 47 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.28 1woh n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1woh h ALA 48 N 0.00 1.06 0.00 4.61 0.00 -1.85 -0.38 119.26 122.70 1woh h ALA 48 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1woh h ALA 48 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1woh h ALA 48 CO 0.00 -0.06 -0.06 0.07 0.00 0.00 0.00 179.25 179.19 1woh h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.84 -0.33 114.38 112.30 1woh h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woh h ARG 49 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1woh h ARG 49 CO 0.00 0.06 -0.28 1.19 0.10 0.00 0.00 179.97 181.05 1woh n PHE 50 N -3.33 0.00 -0.26 4.08 3.72 -0.15 -4.39 117.46 117.13 1woh n PHE 50 Ca -0.01 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.32 1woh n PHE 50 Cb 0.23 -0.11 0.05 0.00 -0.94 0.00 0.00 39.48 38.71 1woh n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1woh h ALA 51 N 3.69 0.95 -0.72 4.37 0.00 -1.44 -2.44 119.26 123.67 1woh h ALA 51 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1woh h ALA 51 Cb 0.52 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1woh h ALA 51 CO 0.00 0.63 0.45 -1.35 0.00 0.00 0.00 179.25 178.98 1woh h PRO 52 N 1.07 0.85 -0.55 0.00 0.11 -1.76 0.12 132.00 131.84 1woh h PRO 52 Ca 0.23 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.19 1woh h PRO 52 Cb 0.30 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 1woh h PRO 52 CO -0.01 0.56 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.20 1woh h ARG 53 N 0.87 1.00 -0.46 1.05 2.43 -1.84 -1.17 114.38 116.27 1woh h ARG 53 Ca 0.29 -0.34 -0.09 0.00 -0.81 0.00 0.00 59.98 59.03 1woh h ARG 53 Cb 0.04 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1woh h ARG 53 CO -0.12 1.02 -0.08 0.00 -1.51 0.00 0.00 179.97 179.29 1woh h ALA 54 N 0.94 0.99 -0.52 2.80 0.00 -1.00 -1.09 119.26 121.39 1woh h ALA 54 Ca 0.15 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1woh h ALA 54 Cb 0.61 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1woh h ALA 54 CO 0.04 0.61 -0.13 -0.07 0.00 0.00 0.00 179.25 179.69 1woh h LEU 55 N 0.75 1.01 -0.26 0.00 3.38 -0.56 0.63 115.31 120.25 1woh h LEU 55 Ca 0.13 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1woh h LEU 55 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1woh h LEU 55 CO 0.03 1.13 0.06 0.03 0.09 0.00 0.00 178.44 179.79 1woh h ARG 56 N 0.88 0.41 -0.61 1.13 3.08 -0.96 0.11 114.38 118.43 1woh h ARG 56 Ca 0.13 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1woh h ARG 56 Cb 0.70 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1woh h ARG 56 CO 0.05 0.51 0.39 0.93 -1.07 0.00 0.00 179.97 180.78 1woh h GLU 57 N 0.25 0.81 0.00 0.04 5.08 -1.01 -2.28 114.58 117.47 1woh h GLU 57 Ca 0.08 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1woh h GLU 57 Cb 0.28 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1woh h GLU 57 CO 0.00 0.55 -0.30 0.00 -1.00 0.00 0.00 179.01 178.26 1woh h ALA 58 N 1.21 1.20 0.00 3.43 0.00 -0.71 -2.79 119.26 121.60 1woh h ALA 58 Ca 0.22 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 58 Cb -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1woh h ALA 58 CO -0.05 0.38 0.00 -1.13 0.00 0.00 0.00 179.25 178.46 1woh n SER 59 N -3.75 0.63 0.02 0.00 3.41 0.01 -2.12 113.62 111.82 1woh n SER 59 Ca -0.01 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 1woh n SER 59 Cb 0.40 -0.79 0.33 0.00 -0.26 0.00 0.00 64.21 63.89 1woh n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1woh n LEU 60 N -2.20 0.11 -0.39 1.04 4.77 -1.05 -0.77 117.00 118.51 1woh n LEU 60 Ca 0.02 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.65 1woh n LEU 60 Cb 0.21 -0.51 0.25 0.00 -2.33 0.00 0.00 43.42 41.04 1woh n LEU 60 CO 0.19 -0.31 0.55 0.54 -1.33 0.00 0.00 177.39 177.03 1woh n ARG 61 N -1.62 1.11 -3.15 3.23 5.12 -0.90 -4.43 116.66 116.01 1woh n ARG 61 Ca 0.03 -0.77 -0.20 0.00 -1.93 0.00 0.00 57.85 54.98 1woh n ARG 61 Cb 0.17 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 29.96 1woh n ARG 61 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1woh n SER 62 N -0.27 1.45 -4.69 0.55 7.64 0.05 -5.09 113.62 113.26 1woh n SER 62 Ca 0.12 -3.12 -0.40 0.00 1.01 0.00 0.00 58.87 56.48 1woh n SER 62 Cb 0.40 -0.61 -0.05 0.00 -1.01 0.00 0.00 64.21 62.94 1woh n SER 62 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1woh s VAL 63 N -2.72 5.01 0.79 0.44 1.01 -1.23 -4.86 120.40 118.83 1woh s VAL 63 Ca 0.41 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.67 1woh s VAL 63 Cb 0.33 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.75 1woh s VAL 63 CO -0.09 0.16 1.09 -2.16 0.00 0.00 0.00 175.10 174.09 1woh s PRO 64 N 1.45 2.15 0.89 2.72 0.04 -1.26 -4.72 135.00 136.27 1woh s PRO 64 Ca 0.34 1.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.28 1woh s PRO 64 Cb -0.17 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.64 1woh s PRO 64 CO 0.14 -1.68 1.24 -1.25 0.04 0.00 0.00 177.00 175.49 1woh s PRO 65 N -4.95 1.09 -0.10 0.56 0.04 -1.26 -5.11 135.00 125.27 1woh s PRO 65 Ca 0.61 -0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.28 1woh s PRO 65 Cb -0.17 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1woh s PRO 65 CO 0.56 -2.08 -0.15 -0.06 0.04 0.00 0.00 177.00 175.31 1woh s PHE 66 N -3.71 1.86 -0.27 0.56 0.40 -0.51 -4.98 117.98 111.34 1woh s PHE 66 Ca 0.70 -0.83 -0.08 0.00 -0.60 0.00 0.00 56.93 56.12 1woh s PHE 66 Cb -0.06 -1.35 -0.03 0.00 0.51 0.00 0.00 43.02 42.10 1woh s PHE 66 CO 0.51 -0.43 0.11 0.99 0.70 0.00 0.00 175.22 177.10 1woh s THR 67 N 0.91 4.53 0.96 0.64 2.01 -1.26 -0.05 115.64 123.37 1woh s THR 67 Ca -0.09 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.58 1woh s THR 67 Cb -0.15 -3.17 0.19 0.00 0.01 0.00 0.00 72.50 69.38 1woh s THR 67 CO 0.00 0.26 1.30 -0.83 -0.69 0.00 0.00 174.62 174.66 1woh s GLY 68 N 1.64 1.76 0.46 4.40 0.00 0.04 -4.91 107.32 110.70 1woh s GLY 68 Ca 0.06 -1.14 0.15 0.00 0.00 0.00 0.00 44.72 43.79 1woh s GLY 68 CO 0.05 -0.39 2.01 -2.00 0.00 0.00 0.00 173.10 172.77 1woh h LEU 69 N -1.62 0.00 0.00 0.66 5.85 -1.99 -1.13 115.31 117.08 1woh h LEU 69 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1woh h LEU 69 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1woh h LEU 69 CO 0.41 0.16 0.00 -0.90 -0.34 0.00 0.00 178.44 177.77 1woh n ASP 70 N -4.33 0.00 0.00 1.25 5.68 -1.26 -4.88 116.55 113.01 1woh n ASP 70 Ca -0.03 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1woh n ASP 70 Cb 0.23 -0.30 0.00 0.00 -1.14 0.00 0.00 41.12 39.91 1woh n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1woh n GLY 71 N 0.52 1.15 3.76 6.12 0.00 -0.43 -5.05 105.19 111.27 1woh n GLY 71 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1woh n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woh s LYS 72 N -0.60 4.73 -0.13 1.61 1.02 -1.26 -4.75 119.74 120.35 1woh s LYS 72 Ca 0.00 1.41 -0.01 0.00 0.02 0.00 0.00 55.97 57.38 1woh s LYS 72 Cb 0.00 -3.07 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1woh s LYS 72 CO 0.00 0.42 -0.09 0.99 -0.92 0.00 0.00 175.35 175.74 1woh s THR 73 N -1.37 3.40 0.28 2.17 2.01 -1.26 -0.78 115.64 120.09 1woh s THR 73 Ca 0.45 -0.55 0.10 0.00 0.31 0.00 0.00 61.69 62.00 1woh s THR 73 Cb -0.23 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 1woh s THR 73 CO 0.28 0.52 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.60 1woh s ARG 74 N 0.19 2.22 -1.49 4.92 0.52 0.92 -4.62 118.95 121.62 1woh s ARG 74 Ca -0.05 -1.49 0.00 0.00 -0.52 0.00 0.00 55.73 53.66 1woh s ARG 74 Cb -0.15 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.22 1woh s ARG 74 CO 0.04 0.32 0.00 1.28 0.02 0.00 0.00 175.30 176.96 1woh n LEU 75 N -0.90 -1.25 -4.77 2.53 4.77 -1.26 -1.42 117.00 114.69 1woh n LEU 75 Ca -0.06 0.26 -0.38 0.00 -0.03 0.00 0.00 56.01 55.80 1woh n LEU 75 Cb 0.60 -2.20 -0.03 0.00 -2.33 0.00 0.00 43.42 39.46 1woh n LEU 75 CO 0.41 -0.60 0.79 -1.10 -1.33 0.00 0.00 177.39 175.56 1woh s GLN 76 N -3.69 4.12 -1.83 3.23 -0.21 -1.26 -3.18 119.66 116.84 1woh s GLN 76 Ca 0.00 1.70 0.00 0.00 0.02 0.00 0.00 55.36 57.08 1woh s GLN 76 Cb 0.00 -2.64 0.00 0.00 1.00 0.00 0.00 33.01 31.37 1woh s GLN 76 CO 0.00 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 1woh n GLY 77 N 0.56 0.00 3.21 3.09 0.00 -1.26 -4.97 105.19 105.81 1woh n GLY 77 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1woh n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1woh s VAL 78 N -2.96 2.98 0.27 1.61 1.01 -1.19 -5.04 120.40 117.08 1woh s VAL 78 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1woh s VAL 78 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 36.38 33.76 1woh s VAL 78 CO 0.00 0.15 0.65 0.42 0.00 0.00 0.00 175.10 176.33 1woh s THR 79 N 1.33 4.78 0.20 3.92 -4.23 -1.26 -4.97 115.64 115.40 1woh s THR 79 Ca -0.00 0.78 0.09 0.00 -1.18 0.00 0.00 61.69 61.37 1woh s THR 79 Cb -0.17 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1woh s THR 79 CO -0.03 -0.09 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.42 1woh s PHE 80 N -1.86 1.83 -0.06 3.99 0.40 -1.26 -1.36 117.98 119.67 1woh s PHE 80 Ca 0.50 -0.50 -0.13 0.00 -0.60 0.00 0.00 56.93 56.20 1woh s PHE 80 Cb -0.11 -0.87 0.03 0.00 0.51 0.00 0.00 43.02 42.57 1woh s PHE 80 CO 0.19 0.39 0.31 0.00 0.70 0.00 0.00 175.22 176.82 1woh s ALA 81 N -2.51 -0.78 -0.27 5.36 0.00 -0.24 -4.25 121.76 119.07 1woh s ALA 81 Ca 0.21 0.55 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 1woh s ALA 81 Cb -0.03 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.96 1woh s ALA 81 CO 0.08 -0.21 -0.06 0.34 0.00 0.00 0.00 175.76 175.90 1woh s ASP 82 N -0.71 4.52 -0.00 0.00 -1.08 -0.32 -0.86 116.67 118.21 1woh s ASP 82 Ca -0.08 -1.19 0.04 0.00 -0.52 0.00 0.00 52.55 50.80 1woh s ASP 82 Cb -0.04 -1.63 0.13 0.00 -1.46 0.00 0.00 42.92 39.91 1woh s ASP 82 CO 0.03 -0.19 1.09 0.00 0.52 0.00 0.00 175.17 176.61 1woh n ALA 83 N 4.57 2.49 -0.24 3.66 0.00 0.56 -1.13 120.51 130.43 1woh n ALA 83 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1woh n ALA 83 Cb 0.44 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.90 1woh n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woh n GLY 84 N 0.69 -0.37 3.52 0.00 0.00 -1.26 -4.19 105.19 103.59 1woh n GLY 84 Ca 0.05 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 1woh n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1woh s ASP 85 N -4.00 4.04 0.34 1.61 1.01 -1.26 -0.86 116.67 117.55 1woh s ASP 85 Ca 0.00 -0.53 -0.29 0.00 0.71 0.00 0.00 52.55 52.44 1woh s ASP 85 Cb 0.00 -0.63 -0.10 0.00 1.01 0.00 0.00 42.92 43.20 1woh s ASP 85 CO 0.00 0.17 1.37 -0.69 0.21 0.00 0.00 175.17 176.22 1woh s VAL 86 N -1.25 2.52 -0.49 -1.27 1.01 -0.49 -4.91 120.40 115.52 1woh s VAL 86 Ca 0.20 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.44 1woh s VAL 86 Cb -0.10 -3.33 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1woh s VAL 86 CO 0.12 0.12 0.99 -0.63 0.00 0.00 0.00 175.10 175.69 1woh s ILE 87 N -1.04 4.38 0.06 2.22 1.01 -1.26 -4.80 121.20 121.77 1woh s ILE 87 Ca 0.51 0.78 -0.05 0.00 0.00 0.00 0.00 60.65 61.88 1woh s ILE 87 Cb -0.42 -4.50 -0.05 0.00 0.01 0.00 0.00 42.46 37.50 1woh s ILE 87 CO 0.55 -0.95 0.30 -0.76 0.00 0.00 0.00 174.94 174.09 1woh s LEU 88 N 4.00 4.34 0.00 2.97 1.43 -1.26 -4.97 118.68 125.19 1woh s LEU 88 Ca 0.39 0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 53.97 1woh s LEU 88 Cb -0.10 -2.91 0.18 0.00 0.03 0.00 0.00 46.19 43.39 1woh s LEU 88 CO 0.26 0.18 1.14 -0.81 0.23 0.00 0.00 176.35 177.36 1woh n PRO 89 N 0.71 -0.62 -3.51 1.29 -0.04 -1.26 -5.05 135.00 126.52 1woh n PRO 89 Ca -0.08 -2.45 -0.37 0.00 -0.04 0.00 0.00 63.50 60.56 1woh n PRO 89 Cb 0.52 -0.96 -0.06 0.00 -0.04 0.00 0.00 33.50 32.96 1woh n PRO 89 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1woh s SER 90 N -5.42 6.77 1.01 3.54 0.01 -1.26 -4.89 113.70 113.47 1woh s SER 90 Ca 0.70 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.90 1woh s SER 90 Cb -0.03 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1woh s SER 90 CO 0.48 0.27 0.00 0.18 0.41 0.00 0.00 173.24 174.58 1woh n LEU 91 N 1.50 0.00 -4.01 2.44 4.77 -1.26 -4.88 117.00 115.55 1woh n LEU 91 Ca -0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.44 1woh n LEU 91 Cb 0.52 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 1woh n LEU 91 CO 0.39 0.00 -0.17 -0.62 -1.33 0.00 0.00 177.39 175.66 1woh n GLU 92 N 14.00 -0.58 -0.25 3.23 -0.58 -1.26 -4.75 120.64 130.45 1woh n GLU 92 Ca 0.00 0.16 0.16 0.00 -0.42 0.00 0.00 57.16 57.06 1woh n GLU 92 Cb 0.00 -2.98 0.46 0.00 -0.57 0.00 0.00 31.44 28.35 1woh n GLU 92 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1woh h PRO 93 N -2.42 0.49 -0.40 3.49 0.13 -1.97 -1.22 132.00 130.11 1woh h PRO 93 Ca -0.70 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 1woh h PRO 93 Cb 1.40 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1woh h PRO 93 CO 0.53 0.33 0.12 0.37 -0.23 0.00 0.00 178.00 179.11 1woh h GLN 94 N 0.51 0.63 -0.42 0.86 4.15 -2.00 0.12 115.11 118.96 1woh h GLN 94 Ca 0.46 -0.14 -0.11 0.00 0.77 0.00 0.00 58.65 59.63 1woh h GLN 94 Cb 1.00 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1woh h GLN 94 CO -0.20 0.63 -0.17 1.25 -1.93 0.00 0.00 178.83 178.42 1woh h LEU 95 N 0.50 0.80 -0.19 -2.39 5.85 -1.73 -1.84 115.31 116.33 1woh h LEU 95 Ca 0.13 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1woh h LEU 95 Cb 0.27 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1woh h LEU 95 CO -0.00 0.97 0.09 0.00 -0.34 0.00 0.00 178.44 179.16 1woh h ALA 96 N 1.09 0.24 -0.43 1.25 0.00 -0.96 -1.39 119.26 119.06 1woh h ALA 96 Ca 0.11 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1woh h ALA 96 Cb 0.68 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1woh h ALA 96 CO 0.05 -0.19 0.08 0.45 0.00 0.00 0.00 179.25 179.65 1woh h HIS 97 N 0.17 0.13 -0.86 0.00 3.86 -0.76 0.25 115.15 117.94 1woh h HIS 97 Ca 0.06 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1woh h HIS 97 Cb 0.14 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.57 1woh h HIS 97 CO -0.02 0.00 0.50 -0.44 0.86 0.00 0.00 177.93 178.83 1woh h ASP 98 N 0.21 1.04 -0.11 2.45 3.32 -1.07 -0.86 116.42 121.41 1woh h ASP 98 Ca 0.21 -0.07 -0.14 0.00 0.02 0.00 0.00 57.03 57.05 1woh h ASP 98 Cb 0.26 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1woh h ASP 98 CO -0.28 0.82 -0.40 0.03 -1.72 0.00 0.00 179.24 177.69 1woh h ARG 99 N 1.19 0.63 -0.03 3.56 3.08 -0.52 -1.96 114.38 120.32 1woh h ARG 99 Ca 0.31 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 1woh h ARG 99 Cb -0.02 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1woh h ARG 99 CO -0.05 0.92 0.01 0.82 -1.07 0.00 0.00 179.97 180.60 1woh h ILE 100 N 0.52 1.16 -0.39 2.04 2.04 -0.45 -1.50 117.51 120.93 1woh h ILE 100 Ca 0.05 -0.48 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1woh h ILE 100 Cb 0.91 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.40 1woh h ILE 100 CO 0.08 0.13 0.24 0.74 0.00 0.00 0.00 178.15 179.34 1woh h THR 101 N -0.14 1.06 -0.44 -0.27 2.02 -1.13 -0.43 112.91 113.58 1woh h THR 101 Ca 0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1woh h THR 101 Cb 0.20 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1woh h THR 101 CO -0.00 0.09 0.29 -0.08 0.37 0.00 0.00 175.52 176.19 1woh h GLU 102 N 0.49 0.58 -0.54 6.66 4.57 -1.27 0.42 114.58 125.49 1woh h GLU 102 Ca 0.15 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.23 1woh h GLU 102 Cb -0.01 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 1woh h GLU 102 CO -0.06 0.38 0.09 0.00 -1.18 0.00 0.00 179.01 178.24 1woh h ALA 103 N 1.16 0.71 -0.82 2.92 0.00 -1.05 -1.93 119.26 120.25 1woh h ALA 103 Ca 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1woh h ALA 103 Cb -0.07 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1woh h ALA 103 CO -0.03 0.45 0.50 0.00 0.00 0.00 0.00 179.25 180.17 1woh h ALA 104 N 0.99 1.04 -0.33 0.00 0.00 -0.74 -0.56 119.26 119.67 1woh h ALA 104 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1woh h ALA 104 Cb 0.41 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1woh h ALA 104 CO 0.01 0.50 0.21 0.00 0.00 0.00 0.00 179.25 179.97 1woh h ARG 105 N 1.12 0.43 -0.56 0.00 3.08 -0.60 0.93 114.38 118.78 1woh h ARG 105 Ca 0.29 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.29 1woh h ARG 105 Cb -0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1woh h ARG 105 CO -0.06 0.29 0.24 1.96 -1.07 0.00 0.00 179.97 181.33 1woh h GLN 106 N 0.44 0.83 -0.22 0.04 4.20 -0.88 -2.04 115.11 117.48 1woh h GLN 106 Ca 0.12 -0.14 -0.04 0.00 0.06 0.00 0.00 58.65 58.65 1woh h GLN 106 Cb -0.05 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 1woh h GLN 106 CO -0.03 0.70 -0.01 0.28 -0.67 0.00 0.00 178.83 179.10 1woh h VAL 107 N 0.76 1.26 -0.92 -0.54 2.07 -0.88 -3.02 116.25 114.98 1woh h VAL 107 Ca 0.19 -0.93 0.10 0.00 0.82 0.00 0.00 66.70 66.88 1woh h VAL 107 Cb 0.17 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1woh h VAL 107 CO -0.02 0.29 0.59 0.03 0.02 0.00 0.00 177.57 178.48 1woh h ARG 108 N 0.15 0.89 0.00 1.57 2.47 -0.69 -0.30 114.38 118.47 1woh h ARG 108 Ca 0.06 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1woh h ARG 108 Cb 0.43 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1woh h ARG 108 CO 0.01 0.59 0.00 0.41 0.56 0.00 0.00 179.97 181.54 1woh n GLY 109 N -1.40 -0.90 0.01 0.04 0.00 -0.78 -3.27 105.19 98.90 1woh n GLY 109 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1woh n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woh n ARG 110 N -1.12 -0.63 -4.19 1.61 1.74 -0.16 -5.06 116.66 108.85 1woh n ARG 110 Ca 0.16 -0.60 -0.13 0.00 -0.77 0.00 0.00 57.85 56.50 1woh n ARG 110 Cb 0.13 -1.01 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 1woh n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woh n ARG 112 N -0.37 0.69 -3.79 0.00 0.63 -0.85 -4.82 116.66 108.14 1woh n ARG 112 Ca 0.03 0.38 -0.29 0.00 -0.92 0.00 0.00 57.85 57.04 1woh n ARG 112 Cb 0.65 -1.72 -0.16 0.00 0.45 0.00 0.00 32.46 31.68 1woh n ARG 112 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1woh s VAL 113 N -2.49 0.95 0.21 5.15 1.01 -0.42 -4.85 120.40 119.96 1woh s VAL 113 Ca -0.25 -1.10 -0.26 0.00 0.00 0.00 0.00 61.98 60.37 1woh s VAL 113 Cb 0.06 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.85 1woh s VAL 113 CO 0.70 -0.38 0.82 -2.16 0.00 0.00 0.00 175.10 174.08 1woh s PRO 114 N 1.63 4.58 -0.19 2.72 0.04 -1.26 -3.01 135.00 139.51 1woh s PRO 114 Ca 0.02 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1woh s PRO 114 Cb -0.18 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.24 1woh s PRO 114 CO -0.14 0.50 -0.17 0.08 0.04 0.00 0.00 177.00 177.30 1woh s VAL 115 N -1.27 2.27 -0.22 -0.36 1.01 0.19 -2.27 120.40 119.75 1woh s VAL 115 Ca 0.40 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 1woh s VAL 115 Cb -0.22 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1woh s VAL 115 CO 0.26 0.48 0.07 -0.36 0.00 0.00 0.00 175.10 175.55 1woh s PHE 116 N 1.31 3.14 -0.33 5.22 2.99 0.27 -0.90 117.98 129.68 1woh s PHE 116 Ca 0.04 -0.20 -0.10 0.00 0.00 0.00 0.00 56.93 56.67 1woh s PHE 116 Cb -0.14 -2.18 0.00 0.00 0.00 0.00 0.00 43.02 40.70 1woh s PHE 116 CO -0.11 -0.15 0.17 -0.51 -0.00 0.00 0.00 175.22 174.62 1woh s LEU 117 N 1.14 4.27 0.00 -0.37 1.43 -0.34 -0.85 118.68 123.95 1woh s LEU 117 Ca 0.04 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.44 1woh s LEU 117 Cb -0.14 -2.01 0.18 0.00 0.03 0.00 0.00 46.19 44.25 1woh s LEU 117 CO 0.03 -0.24 1.15 0.61 0.23 0.00 0.00 176.35 178.14 1woh n GLY 118 N 4.99 -0.46 0.00 -3.19 0.00 0.76 -0.37 105.19 106.93 1woh n GLY 118 Ca -0.13 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1woh n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1woh n GLY 119 N -3.08 0.64 3.78 -0.02 0.00 -0.22 -3.47 105.19 102.83 1woh n GLY 119 Ca 0.16 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.33 1woh n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1woh s ASP 120 N -0.83 3.19 0.32 1.61 1.47 0.90 -0.92 116.67 122.42 1woh s ASP 120 Ca 0.00 0.84 0.24 0.00 1.18 0.00 0.00 52.55 54.81 1woh s ASP 120 Cb 0.00 -1.32 1.17 0.00 -0.34 0.00 0.00 42.92 42.44 1woh s ASP 120 CO 0.00 -2.74 1.73 -0.74 0.68 0.00 0.00 175.17 174.10 1woh h HIS 121 N -1.63 0.00 0.00 2.11 -0.00 -1.90 -2.79 115.15 110.95 1woh h HIS 121 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.88 1woh h HIS 121 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.73 1woh h HIS 121 CO -0.15 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 178.44 1woh h SER 122 N 0.00 0.00 0.81 3.26 4.64 -1.80 -2.23 113.55 118.23 1woh h SER 122 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1woh h SER 122 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1woh h SER 122 CO 0.00 0.00 -0.02 -0.37 -0.87 0.00 0.00 176.83 175.57 1woh h VAL 123 N 0.00 0.05 -0.24 0.95 -1.51 -1.84 -2.92 116.25 110.73 1woh h VAL 123 Ca 0.00 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 65.01 1woh h VAL 123 Cb 0.19 1.43 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1woh h VAL 123 CO 0.00 0.01 0.11 0.28 -1.23 0.00 0.00 177.57 176.75 1woh h SER 124 N 0.00 0.29 0.72 4.19 0.02 -1.65 -1.80 113.55 115.32 1woh h SER 124 Ca -0.00 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1woh h SER 124 Cb 0.43 -0.07 0.01 0.00 0.14 0.00 0.00 62.40 62.90 1woh h SER 124 CO 0.00 0.25 -0.34 0.22 -1.14 0.00 0.00 176.83 175.82 1woh h TYR 125 N 0.33 -0.89 0.00 3.45 3.20 -1.70 0.03 116.97 121.39 1woh h TYR 125 Ca 0.09 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1woh h TYR 125 Cb 0.04 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.61 1woh h TYR 125 CO 0.00 -0.55 -0.06 -1.00 -1.64 0.00 0.00 178.16 174.90 1woh h PRO 126 N -1.16 0.00 -0.18 1.82 0.13 -1.72 -2.08 132.00 128.81 1woh h PRO 126 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.95 1woh h PRO 126 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1woh h PRO 126 CO 0.16 0.06 -0.23 -0.07 -0.23 0.00 0.00 178.00 177.70 1woh h LEU 127 N 0.00 0.51 -1.68 1.56 4.07 -1.24 -3.11 115.31 115.42 1woh h LEU 127 Ca -0.00 -0.50 -0.04 0.00 0.08 0.00 0.00 57.88 57.42 1woh h LEU 127 Cb 0.27 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 1woh h LEU 127 CO 0.01 0.91 -0.19 -0.07 -1.08 0.00 0.00 178.44 178.02 1woh h LEU 128 N 0.12 0.00 -2.38 1.67 3.38 -0.33 -2.35 115.31 115.43 1woh h LEU 128 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1woh h LEU 128 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1woh h LEU 128 CO 0.05 0.19 0.00 0.03 0.09 0.00 0.00 178.44 178.80 1woh h ARG 129 N 0.00 0.00 -0.03 1.13 3.08 -1.35 0.29 114.38 117.50 1woh h ARG 129 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1woh h ARG 129 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1woh h ARG 129 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1woh n ALA 130 N -1.99 2.61 -1.37 0.04 0.00 -0.88 -3.50 120.51 115.41 1woh n ALA 130 Ca -0.02 -0.30 0.04 0.00 0.00 0.00 0.00 53.44 53.17 1woh n ALA 130 Cb 0.09 -1.31 0.20 0.00 0.00 0.00 0.00 19.45 18.43 1woh n ALA 130 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1woh n PHE 131 N -0.44 0.43 0.29 0.00 3.01 0.09 -4.75 117.46 116.09 1woh n PHE 131 Ca 0.19 -1.35 0.16 0.00 1.01 0.00 0.00 57.45 57.46 1woh n PHE 131 Cb 0.20 -0.31 0.88 0.00 -0.01 0.00 0.00 39.48 40.24 1woh n PHE 131 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1woh h ALA 132 N 0.87 1.24 -0.44 4.37 0.00 -1.69 -2.32 119.26 121.30 1woh h ALA 132 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1woh h ALA 132 Cb 1.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1woh h ALA 132 CO 0.14 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1woh n ASP 133 N -3.49 2.46 -4.51 0.00 3.85 -1.26 -4.80 116.55 108.80 1woh n ASP 133 Ca -0.02 -1.97 -0.43 0.00 -0.71 0.00 0.00 54.79 51.66 1woh n ASP 133 Cb 0.17 -0.29 -0.06 0.00 -1.35 0.00 0.00 41.12 39.59 1woh n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1woh s VAL 134 N -1.42 4.77 0.31 2.12 1.01 -0.88 -5.03 120.40 121.29 1woh s VAL 134 Ca 0.32 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.05 1woh s VAL 134 Cb 0.17 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 32.17 1woh s VAL 134 CO 0.22 -0.70 1.55 -2.16 0.00 0.00 0.00 175.10 174.01 1woh s PRO 135 N 2.95 4.13 -1.36 2.72 0.04 -1.26 -3.11 135.00 139.11 1woh s PRO 135 Ca 0.23 2.55 -0.09 0.00 0.04 0.00 0.00 61.00 63.72 1woh s PRO 135 Cb -0.15 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.38 1woh s PRO 135 CO 0.18 -0.58 0.42 -0.25 0.04 0.00 0.00 177.00 176.81 1woh n ASP 136 N 1.70 -1.49 -4.73 6.66 8.00 -1.24 -4.69 116.55 120.75 1woh n ASP 136 Ca 0.06 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 1woh n ASP 136 Cb 0.38 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.12 38.93 1woh n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1woh s LEU 137 N -7.07 4.38 0.07 0.64 2.96 0.35 -4.32 118.68 115.69 1woh s LEU 137 Ca 0.17 2.62 0.09 0.00 -0.22 0.00 0.00 54.13 56.79 1woh s LEU 137 Cb -0.07 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1woh s LEU 137 CO 0.92 -0.73 -0.23 -1.00 -1.32 0.00 0.00 176.35 174.00 1woh s HIS 138 N 0.43 2.43 -0.11 5.38 3.76 0.34 -1.89 115.29 125.62 1woh s HIS 138 Ca 0.63 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.24 1woh s HIS 138 Cb -0.42 -1.38 0.01 0.00 1.11 0.00 0.00 32.58 31.90 1woh s HIS 138 CO 0.39 0.25 -0.22 0.08 -0.85 0.00 0.00 174.74 174.39 1woh s VAL 139 N -0.95 1.94 -0.31 -0.90 1.01 -0.51 -0.63 120.40 120.06 1woh s VAL 139 Ca 0.14 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 1woh s VAL 139 Cb -0.10 -1.70 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1woh s VAL 139 CO 0.05 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 175.07 1woh s VAL 140 N 0.60 3.82 -0.18 2.92 1.01 -0.77 -0.56 120.40 127.24 1woh s VAL 140 Ca -0.13 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1woh s VAL 140 Cb -0.17 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.18 1woh s VAL 140 CO 0.04 0.00 -0.11 -1.58 0.00 0.00 0.00 175.10 173.45 1woh s GLN 141 N 1.45 3.30 -0.21 2.72 0.74 0.39 -1.57 119.66 126.49 1woh s GLN 141 Ca 0.01 -0.69 -0.14 0.00 0.05 0.00 0.00 55.36 54.59 1woh s GLN 141 Cb -0.18 -2.78 -0.04 0.00 1.10 0.00 0.00 33.01 31.11 1woh s GLN 141 CO 0.02 -0.05 0.29 -0.51 -0.55 0.00 0.00 175.29 174.49 1woh s LEU 142 N 1.02 4.16 -0.15 3.68 1.43 -0.44 -0.09 118.68 128.29 1woh s LEU 142 Ca -0.01 0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 53.17 1woh s LEU 142 Cb -0.15 -2.34 0.12 0.00 0.03 0.00 0.00 46.19 43.85 1woh s LEU 142 CO -0.02 0.01 0.97 -0.62 0.23 0.00 0.00 176.35 176.93 1woh s ASP 143 N 0.91 -0.39 0.26 2.29 -1.08 -0.45 -1.62 116.67 116.60 1woh s ASP 143 Ca 0.14 0.44 0.23 0.00 -0.52 0.00 0.00 52.55 52.84 1woh s ASP 143 Cb -0.14 0.33 0.16 0.00 -1.46 0.00 0.00 42.92 41.82 1woh s ASP 143 CO 0.06 -0.36 1.26 0.00 0.52 0.00 0.00 175.17 176.65 1woh h ALA 144 N 2.63 0.67 -3.33 3.66 0.00 -1.74 -2.65 119.26 118.49 1woh h ALA 144 Ca -0.19 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 1woh h ALA 144 Cb 1.16 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 1woh h ALA 144 CO 0.31 0.00 -0.81 -1.01 0.00 0.00 0.00 179.25 177.75 1woh s HIS 145 N -3.29 1.83 0.13 0.00 3.76 -1.26 -1.74 115.29 114.72 1woh s HIS 145 Ca 0.03 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.37 1woh s HIS 145 Cb 0.09 -0.96 -0.02 0.00 1.11 0.00 0.00 32.58 32.80 1woh s HIS 145 CO 0.74 0.27 1.55 1.25 -0.85 0.00 0.00 174.74 177.70 1woh h LEU 146 N 3.68 0.81 -1.54 0.89 5.85 -1.95 -3.48 115.31 119.57 1woh h LEU 146 Ca -0.45 -0.35 -0.42 0.00 0.84 0.00 0.00 57.88 57.50 1woh h LEU 146 Cb 1.19 -0.22 0.05 0.00 0.37 0.00 0.00 40.66 42.05 1woh h LEU 146 CO 0.45 0.97 -0.80 0.47 -0.34 0.00 0.00 178.44 179.19 1woh n ASP 147 N -4.32 -2.31 -0.61 1.25 8.00 -1.26 -4.88 116.55 112.42 1woh n ASP 147 Ca -0.01 -0.78 0.06 0.00 0.71 0.00 0.00 54.79 54.77 1woh n ASP 147 Cb 0.36 -4.15 0.14 0.00 -0.02 0.00 0.00 41.12 37.45 1woh n ASP 147 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1woh n PHE 148 N -4.39 0.00 -2.52 1.24 7.35 -1.14 -3.04 117.46 114.95 1woh n PHE 148 Ca -0.21 -1.09 -0.36 0.00 -0.76 0.00 0.00 57.45 55.03 1woh n PHE 148 Cb 0.64 -0.19 -0.04 0.00 0.35 0.00 0.00 39.48 40.24 1woh n PHE 148 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1woh s THR 149 N -2.35 3.67 -0.02 -2.13 2.01 -0.48 -4.58 115.64 111.76 1woh s THR 149 Ca 0.33 1.26 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 1woh s THR 149 Cb 0.32 -3.64 -0.00 0.00 0.01 0.00 0.00 72.50 69.19 1woh s THR 149 CO -0.06 -0.01 -0.00 -0.78 -0.69 0.00 0.00 174.62 173.08 1woh h ASP 150 N 2.39 0.00 -4.37 3.53 3.58 -1.93 -3.38 116.42 116.24 1woh h ASP 150 Ca -0.48 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.38 1woh h ASP 150 Cb 1.22 0.00 -0.28 0.00 1.72 0.00 0.00 39.33 41.98 1woh h ASP 150 CO 0.62 0.10 -0.85 -0.89 -2.88 0.00 0.00 179.24 175.34 1woh s THR 151 N -1.12 1.60 -0.10 2.25 2.01 -1.26 -4.55 115.64 114.46 1woh s THR 151 Ca -0.00 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 60.98 1woh s THR 151 Cb 0.00 -1.34 0.03 0.00 0.01 0.00 0.00 72.50 71.20 1woh s THR 151 CO 0.01 0.38 0.25 -0.60 -0.69 0.00 0.00 174.62 173.97 1woh s ARG 152 N -0.66 0.26 -1.60 4.92 3.52 -0.83 -4.90 118.95 119.65 1woh s ARG 152 Ca 0.08 0.43 -0.08 0.00 -0.13 0.00 0.00 55.73 56.03 1woh s ARG 152 Cb -0.08 0.03 0.08 0.00 -1.56 0.00 0.00 34.95 33.42 1woh s ARG 152 CO -0.00 -0.09 0.41 0.09 -0.81 0.00 0.00 175.30 174.90 1woh n ASN 153 N 3.50 -0.90 -1.85 -2.12 4.13 -1.26 -1.21 115.26 115.56 1woh n ASN 153 Ca -0.18 -1.13 -0.18 0.00 1.68 0.00 0.00 54.58 54.76 1woh n ASN 153 Cb 0.56 -2.29 -0.03 0.00 -1.54 0.00 0.00 39.78 36.47 1woh n ASN 153 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1woh n ASP 154 N -2.79 -5.27 -3.93 6.41 8.00 -1.26 -5.00 116.55 112.71 1woh n ASP 154 Ca -0.15 0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 1woh n ASP 154 Cb 0.60 -4.35 -0.10 0.00 -0.02 0.00 0.00 41.12 37.25 1woh n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woh s THR 155 N -2.83 0.12 -1.35 -3.53 -1.32 -0.35 -5.03 115.64 101.35 1woh s THR 155 Ca 0.00 -0.97 0.22 0.00 -1.21 0.00 0.00 61.69 59.73 1woh s THR 155 Cb 0.00 -0.67 -0.11 0.00 -1.51 0.00 0.00 72.50 70.21 1woh s THR 155 CO 0.00 -0.53 1.05 0.29 -2.21 0.00 0.00 174.62 173.22 1woh n LYS 156 N 1.09 0.41 -0.48 7.08 4.76 -1.26 -1.97 118.16 127.78 1woh n LYS 156 Ca -0.21 -0.33 0.08 0.00 -2.87 0.00 0.00 58.31 54.98 1woh n LYS 156 Cb 0.57 -1.49 0.28 0.00 -1.84 0.00 0.00 35.03 32.54 1woh n LYS 156 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1woh n TRP 157 N -1.01 1.10 -1.07 2.13 5.03 -1.26 -4.79 117.44 117.57 1woh n TRP 157 Ca 0.06 -0.74 -0.29 0.00 3.03 0.00 0.00 57.50 59.57 1woh n TRP 157 Cb 0.37 -0.27 0.20 0.00 -1.03 0.00 0.00 31.31 30.58 1woh n TRP 157 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1woh s SER 158 N -1.42 2.01 0.00 -0.99 1.04 -1.26 -4.85 113.70 108.23 1woh s SER 158 Ca 0.42 1.10 0.19 0.00 0.48 0.00 0.00 55.95 58.14 1woh s SER 158 Cb 0.31 -1.70 0.86 0.00 0.10 0.00 0.00 66.02 65.58 1woh s SER 158 CO 0.14 -3.50 1.61 -0.46 0.98 0.00 0.00 173.24 172.01 1woh n ASN 159 N -4.41 0.00 -0.25 7.02 6.94 -1.14 -2.27 115.26 121.16 1woh n ASN 159 Ca 0.06 0.38 0.14 0.00 -0.02 0.00 0.00 54.58 55.15 1woh n ASN 159 Cb 0.57 -0.45 0.64 0.00 -2.36 0.00 0.00 39.78 38.18 1woh n ASN 159 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1woh n SER 160 N -1.45 0.83 0.00 0.53 7.64 -1.26 -4.28 113.62 115.64 1woh n SER 160 Ca 0.06 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.85 1woh n SER 160 Cb 0.21 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1woh n SER 160 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1woh n SER 161 N -0.47 1.47 -0.22 6.43 7.64 -0.96 -1.38 113.62 126.12 1woh n SER 161 Ca 0.18 -1.67 0.01 0.00 1.01 0.00 0.00 58.87 58.41 1woh n SER 161 Cb 0.28 0.00 0.13 0.00 -1.01 0.00 0.00 64.21 63.60 1woh n SER 161 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1woh h PRO 162 N 0.00 0.40 0.00 1.43 0.13 -1.69 -1.27 132.00 131.00 1woh h PRO 162 Ca 0.00 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 1woh h PRO 162 Cb 0.52 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1woh h PRO 162 CO 0.00 0.27 -0.40 0.74 -0.23 0.00 0.00 178.00 178.38 1woh h PHE 163 N 0.42 0.00 -0.15 1.56 -1.00 -1.88 -0.78 116.94 115.10 1woh h PHE 163 Ca 0.34 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.03 1woh h PHE 163 Cb 0.44 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 1woh h PHE 163 CO -0.17 0.40 -0.23 -0.09 -1.61 0.00 0.00 178.31 176.61 1woh h ARG 164 N 0.00 0.43 -0.64 1.51 9.65 -1.58 -0.93 114.38 122.82 1woh h ARG 164 Ca -0.00 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.56 1woh h ARG 164 Cb 1.03 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.60 1woh h ARG 164 CO 0.05 0.84 0.14 0.00 2.80 0.00 0.00 179.97 183.80 1woh h ARG 165 N 0.05 1.01 -0.28 0.20 2.47 -1.17 -2.60 114.38 114.07 1woh h ARG 165 Ca 0.02 -0.24 -0.06 0.00 -1.26 0.00 0.00 59.98 58.44 1woh h ARG 165 Cb 0.80 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1woh h ARG 165 CO 0.05 0.91 -0.05 0.00 0.56 0.00 0.00 179.97 181.44 1woh h ALA 166 N 1.18 0.38 -0.78 0.04 0.00 -1.02 -2.68 119.26 116.39 1woh h ALA 166 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1woh h ALA 166 Cb 0.37 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1woh h ALA 166 CO 0.00 0.18 0.38 0.00 0.00 0.00 0.00 179.25 179.81 1woh h GLU 168 N 1.10 0.00 0.00 0.00 4.11 -1.42 -3.09 114.58 115.28 1woh h GLU 168 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.70 1woh h GLU 168 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1woh h GLU 168 CO -0.04 0.00 -1.68 0.00 0.07 0.00 0.00 179.01 177.36 1woh n ALA 169 N -1.84 3.23 -3.82 1.06 0.00 -0.77 -4.82 120.51 113.54 1woh n ALA 169 Ca 0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 53.44 52.67 1woh n ALA 169 Cb 0.34 -0.71 -0.14 0.00 0.00 0.00 0.00 19.45 18.94 1woh n ALA 169 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1woh s LEU 170 N -4.05 3.39 0.55 0.00 1.43 0.87 -4.95 118.68 115.92 1woh s LEU 170 Ca -0.04 -2.60 0.37 0.00 -1.03 0.00 0.00 54.13 50.84 1woh s LEU 170 Cb 0.14 -1.28 1.92 0.00 0.03 0.00 0.00 46.19 47.00 1woh s LEU 170 CO 0.84 -0.28 2.12 1.55 0.23 0.00 0.00 176.35 180.81 1woh h PRO 171 N 6.89 0.00 0.00 1.29 0.13 -1.86 -0.27 132.00 138.18 1woh h PRO 171 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1woh h PRO 171 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1woh h PRO 171 CO 0.55 0.00 -0.01 0.27 -0.23 0.00 0.00 178.00 178.59 1woh n ASN 172 N -2.84 0.33 -4.53 1.44 6.94 -1.26 -4.39 115.26 110.94 1woh n ASN 172 Ca -0.02 0.52 -0.42 0.00 -0.02 0.00 0.00 54.58 54.64 1woh n ASN 172 Cb 0.10 -0.61 -0.02 0.00 -2.36 0.00 0.00 39.78 36.89 1woh n ASN 172 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1woh s LEU 173 N -3.61 4.00 0.27 -4.53 0.20 -0.11 -0.49 118.68 114.40 1woh s LEU 173 Ca 0.13 -1.85 0.24 0.00 0.69 0.00 0.00 54.13 53.34 1woh s LEU 173 Cb 0.16 -2.52 0.42 0.00 -0.43 0.00 0.00 46.19 43.82 1woh s LEU 173 CO 0.56 -1.31 1.50 -0.37 -0.29 0.00 0.00 176.35 176.45 1woh h VAL 174 N 6.25 0.00 -1.93 1.68 -1.51 -1.58 -3.48 116.25 115.68 1woh h VAL 174 Ca 0.24 -0.74 -0.03 0.00 -1.23 0.00 0.00 66.70 64.94 1woh h VAL 174 Cb 0.98 1.57 -0.20 0.00 -2.13 0.00 0.00 31.29 31.51 1woh h VAL 174 CO 1.35 0.00 0.23 -2.28 -1.23 0.00 0.00 177.57 175.64 1woh s HIS 175 N -3.20 -0.65 -0.04 5.19 5.65 -1.22 -4.94 115.29 116.08 1woh s HIS 175 Ca 0.07 1.31 0.02 0.00 0.25 0.00 0.00 55.06 56.70 1woh s HIS 175 Cb 0.10 0.37 0.01 0.00 -1.18 0.00 0.00 32.58 31.88 1woh s HIS 175 CO 0.68 -0.49 -0.08 0.42 -0.65 0.00 0.00 174.74 174.61 1woh s ILE 176 N -0.65 0.78 -0.24 0.89 1.01 -1.26 -1.43 121.20 120.31 1woh s ILE 176 Ca -0.06 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.26 1woh s ILE 176 Cb -0.02 -0.72 0.02 0.00 0.01 0.00 0.00 42.46 41.75 1woh s ILE 176 CO 0.06 0.26 -0.08 -0.89 0.00 0.00 0.00 174.94 174.29 1woh s THR 177 N 0.47 2.79 -0.15 2.92 2.01 0.27 -0.93 115.64 123.03 1woh s THR 177 Ca -0.08 -0.98 -0.04 0.00 0.31 0.00 0.00 61.69 60.91 1woh s THR 177 Cb -0.12 -2.38 -0.03 0.00 0.01 0.00 0.00 72.50 69.99 1woh s THR 177 CO 0.01 0.26 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.27 1woh s THR 178 N 1.33 3.90 -0.05 -0.82 2.01 -0.27 -0.46 115.64 121.26 1woh s THR 178 Ca 0.01 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1woh s THR 178 Cb -0.16 -2.70 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1woh s THR 178 CO -0.05 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.54 1woh s VAL 179 N 0.33 1.23 0.00 3.82 1.01 0.87 -0.65 120.40 127.02 1woh s VAL 179 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.36 1woh s VAL 179 Cb -0.14 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1woh s VAL 179 CO 0.03 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1woh n GLY 180 N 3.43 0.88 3.69 4.51 0.00 -0.48 -1.34 105.19 115.88 1woh n GLY 180 Ca -0.20 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.38 1woh n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woh n LEU 181 N 0.00 3.34 -3.83 0.99 4.77 -1.00 -4.10 117.00 117.17 1woh n LEU 181 Ca 0.00 1.17 -0.04 0.00 -0.03 0.00 0.00 56.01 57.10 1woh n LEU 181 Cb 0.00 -1.46 0.01 0.00 -2.33 0.00 0.00 43.42 39.64 1woh n LEU 181 CO 0.00 -0.45 0.73 0.00 -1.33 0.00 0.00 177.39 176.34 1woh s ARG 182 N -0.92 1.44 0.00 3.23 1.70 -0.71 -1.15 118.95 122.53 1woh s ARG 182 Ca 0.63 -0.89 0.00 0.00 -0.47 0.00 0.00 55.73 55.00 1woh s ARG 182 Cb -0.61 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.20 1woh s ARG 182 CO 0.54 -0.67 0.00 0.41 -1.08 0.00 0.00 175.30 174.50 1woh n GLY 183 N -0.60 2.96 0.12 3.88 0.00 -1.26 -4.70 105.19 105.59 1woh n GLY 183 Ca -0.05 -1.99 -0.01 0.00 0.00 0.00 0.00 46.02 43.97 1woh n GLY 183 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1woh h LEU 184 N 0.00 0.00 -8.70 0.99 3.38 -2.02 -3.45 115.31 105.51 1woh h LEU 184 Ca 0.00 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.30 1woh h LEU 184 Cb 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.49 1woh h LEU 184 CO 0.00 0.68 -0.78 -0.60 0.09 0.00 0.00 178.44 177.83 1woh s ARG 185 N -2.97 3.00 -0.00 1.13 3.52 -1.26 -5.11 118.95 117.25 1woh s ARG 185 Ca 0.02 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 1woh s ARG 185 Cb 0.09 -2.49 -0.00 0.00 -1.56 0.00 0.00 34.95 30.98 1woh s ARG 185 CO 0.77 0.37 -0.05 -0.06 -0.81 0.00 0.00 175.30 175.52 1woh s PHE 186 N -0.08 0.47 -0.44 5.12 0.40 -1.26 -5.06 117.98 117.13 1woh s PHE 186 Ca -0.03 -0.10 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 1woh s PHE 186 Cb -0.14 -0.30 0.01 0.00 0.51 0.00 0.00 43.02 43.10 1woh s PHE 186 CO 0.04 -0.01 1.40 0.34 0.70 0.00 0.00 175.22 177.69 1woh s ASP 187 N -0.17 6.31 0.34 1.36 -1.08 -1.26 -4.89 116.67 117.28 1woh s ASP 187 Ca 0.02 0.72 0.02 0.00 -0.52 0.00 0.00 52.55 52.79 1woh s ASP 187 Cb -0.02 -2.54 0.59 0.00 -1.46 0.00 0.00 42.92 39.49 1woh s ASP 187 CO -0.00 -1.47 1.94 1.55 0.52 0.00 0.00 175.17 177.71 1woh h PRO 188 N 10.72 0.74 -0.68 4.34 0.13 -1.99 -1.03 132.00 144.23 1woh h PRO 188 Ca -0.27 -0.09 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1woh h PRO 188 Cb 1.10 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1woh h PRO 188 CO 1.10 0.58 0.18 1.49 -0.23 0.00 0.00 178.00 181.13 1woh h GLU 189 N 0.74 1.08 -0.25 0.86 4.22 -1.99 -1.26 114.58 117.97 1woh h GLU 189 Ca 0.18 -0.25 -0.12 0.00 0.08 0.00 0.00 59.36 59.26 1woh h GLU 189 Cb 0.09 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1woh h GLU 189 CO -0.02 0.95 -0.31 0.00 -2.18 0.00 0.00 179.01 177.44 1woh h ALA 190 N 1.08 0.38 -0.38 2.92 0.00 -1.68 -1.14 119.26 120.44 1woh h ALA 190 Ca 0.22 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1woh h ALA 190 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1woh h ALA 190 CO -0.00 0.41 0.24 0.28 0.00 0.00 0.00 179.25 180.18 1woh h VAL 191 N 0.37 1.11 -0.63 0.00 2.07 -1.09 0.10 116.25 118.18 1woh h VAL 191 Ca 0.03 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1woh h VAL 191 Cb 0.89 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1woh h VAL 191 CO 0.07 0.11 0.30 0.00 0.02 0.00 0.00 177.57 178.07 1woh h ALA 192 N 1.12 0.81 -0.14 1.67 0.00 -1.19 -1.35 119.26 120.18 1woh h ALA 192 Ca 0.14 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1woh h ALA 192 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1woh h ALA 192 CO -0.03 0.39 -0.34 0.00 0.00 0.00 0.00 179.25 179.27 1woh h ALA 193 N 1.13 1.17 -0.10 0.00 0.00 -0.90 0.61 119.26 121.16 1woh h ALA 193 Ca 0.22 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1woh h ALA 193 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1woh h ALA 193 CO -0.03 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.68 1woh h ALA 194 N 1.40 0.15 -0.20 0.00 0.00 -0.65 -2.73 119.26 117.23 1woh h ALA 194 Ca 0.03 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1woh h ALA 194 Cb 0.72 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1woh h ALA 194 CO 0.05 -0.02 -0.34 0.00 0.00 0.00 0.00 179.25 178.95 1woh h ARG 195 N -0.16 0.41 -0.30 0.00 3.08 -1.17 -1.00 114.38 115.25 1woh h ARG 195 Ca 0.02 -0.18 0.06 0.00 0.07 0.00 0.00 59.98 59.95 1woh h ARG 195 Cb 0.61 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1woh h ARG 195 CO 0.02 0.70 0.21 0.00 -1.07 0.00 0.00 179.97 179.84 1woh h ALA 196 N 1.29 2.10 -0.05 0.04 0.00 -0.79 0.14 119.26 122.00 1woh h ALA 196 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1woh h ALA 196 Cb 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1woh h ALA 196 CO 0.06 -0.17 0.00 0.54 0.00 0.00 0.00 179.25 179.68 1woh n ARG 197 N -4.48 1.81 -0.85 0.00 1.74 -0.83 -4.92 116.66 109.13 1woh n ARG 197 Ca 0.03 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.93 1woh n ARG 197 Cb 0.28 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1woh n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1woh n GLY 198 N 1.21 0.54 3.76 -0.13 0.00 0.50 -4.94 105.19 106.14 1woh n GLY 198 Ca 0.18 -0.31 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 1woh n GLY 198 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1woh s HIS 199 N -2.00 2.74 -0.26 1.61 3.76 -0.44 -4.86 115.29 115.83 1woh s HIS 199 Ca 0.00 1.44 -0.15 0.00 -0.15 0.00 0.00 55.06 56.20 1woh s HIS 199 Cb 0.00 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.04 1woh s HIS 199 CO 0.00 -2.08 0.38 0.99 -0.85 0.00 0.00 174.74 173.18 1woh s THR 200 N -1.34 5.17 -0.27 1.30 2.01 -0.11 -4.53 115.64 117.87 1woh s THR 200 Ca 0.61 0.59 -0.08 0.00 0.31 0.00 0.00 61.69 63.12 1woh s THR 200 Cb -0.36 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1woh s THR 200 CO 0.45 0.16 0.09 -0.63 -0.69 0.00 0.00 174.62 174.00 1woh s ILE 201 N 2.02 4.30 -0.39 1.82 1.01 -1.26 -1.12 121.20 127.57 1woh s ILE 201 Ca 0.15 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1woh s ILE 201 Cb -0.16 -3.10 0.11 0.00 0.01 0.00 0.00 42.46 39.32 1woh s ILE 201 CO 0.10 0.22 0.14 -0.63 0.00 0.00 0.00 174.94 174.76 1woh s ILE 202 N 1.59 2.68 0.79 2.92 1.01 0.18 -4.99 121.20 125.37 1woh s ILE 202 Ca 0.05 -2.41 -0.13 0.00 0.00 0.00 0.00 60.65 58.16 1woh s ILE 202 Cb -0.16 -2.90 0.07 0.00 0.01 0.00 0.00 42.46 39.48 1woh s ILE 202 CO 0.04 -0.66 1.18 -2.84 0.00 0.00 0.00 174.94 172.66 1woh s PRO 203 N 0.78 1.79 0.39 2.79 0.02 -1.26 -1.39 135.00 138.12 1woh s PRO 203 Ca 0.11 1.66 0.07 0.00 0.02 0.00 0.00 61.00 62.86 1woh s PRO 203 Cb -0.21 -1.80 0.81 0.00 0.02 0.00 0.00 34.50 33.32 1woh s PRO 203 CO -0.06 -2.08 2.00 1.98 -0.33 0.00 0.00 177.00 178.51 1woh h MET 204 N -0.86 0.63 -0.88 5.54 1.85 -1.29 -1.57 114.93 118.36 1woh h MET 204 Ca -0.46 -0.04 0.16 0.00 -0.61 0.00 0.00 59.70 58.75 1woh h MET 204 Cb 1.28 -0.14 -0.10 0.00 0.43 0.00 0.00 31.60 33.07 1woh h MET 204 CO 0.47 0.42 0.45 -0.44 -0.40 0.00 0.00 176.91 177.41 1woh h ASP 205 N 0.65 0.54 -0.83 1.39 3.32 -1.91 0.30 116.42 119.88 1woh h ASP 205 Ca 0.24 0.10 -0.02 0.00 0.02 0.00 0.00 57.03 57.38 1woh h ASP 205 Cb 0.15 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1woh h ASP 205 CO -0.07 0.20 0.46 0.44 -1.72 0.00 0.00 179.24 178.55 1woh h ASP 206 N 0.61 1.04 -0.32 6.45 5.19 -1.63 0.13 116.42 127.88 1woh h ASP 206 Ca 0.49 -0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.76 1woh h ASP 206 Cb 0.74 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1woh h ASP 206 CO -0.39 0.84 0.05 0.58 -3.12 0.00 0.00 179.24 177.20 1woh h VAL 207 N 1.16 1.24 -0.60 -1.35 2.07 -0.98 0.93 116.25 118.72 1woh h VAL 207 Ca 0.29 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1woh h VAL 207 Cb 0.02 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1woh h VAL 207 CO -0.05 0.28 0.20 0.74 0.02 0.00 0.00 177.57 178.76 1woh h THR 208 N 0.36 1.24 -0.04 2.57 2.02 -0.82 -2.61 112.91 115.63 1woh h THR 208 Ca 0.10 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1woh h THR 208 Cb 0.36 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.40 1woh h THR 208 CO 0.01 0.30 -0.03 0.00 0.37 0.00 0.00 175.52 176.17 1woh h ALA 209 N 1.06 0.05 -1.67 6.16 0.00 -0.61 -3.42 119.26 120.84 1woh h ALA 209 Ca 0.19 -0.25 -0.31 0.00 0.00 0.00 0.00 54.91 54.54 1woh h ALA 209 Cb 0.27 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 17.77 1woh h ALA 209 CO -0.01 -0.19 -0.66 0.34 0.00 0.00 0.00 179.25 178.74 1woh s ASP 210 N -5.77 0.22 0.32 0.00 2.15 0.31 -5.00 116.67 108.91 1woh s ASP 210 Ca -0.15 -1.74 0.01 0.00 0.43 0.00 0.00 52.55 51.09 1woh s ASP 210 Cb 0.03 0.90 0.54 0.00 -0.30 0.00 0.00 42.92 44.09 1woh s ASP 210 CO 0.69 -0.19 1.94 0.25 -0.17 0.00 0.00 175.17 177.70 1woh h LEU 211 N 6.38 0.76 -0.84 -1.34 7.12 -1.61 -1.94 115.31 123.84 1woh h LEU 211 Ca 0.09 -0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.08 1woh h LEU 211 Cb 1.06 -0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 40.95 1woh h LEU 211 CO 0.17 0.62 0.54 0.00 -0.13 0.00 0.00 178.44 179.63 1woh h ALA 212 N 1.51 1.13 -0.59 1.25 0.00 -1.93 -1.94 119.26 118.68 1woh h ALA 212 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1woh h ALA 212 Cb 0.04 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1woh h ALA 212 CO -0.03 0.34 0.10 0.78 0.00 0.00 0.00 179.25 180.43 1woh h GLY 213 N 1.02 1.03 0.94 0.00 0.00 -1.73 -2.22 103.07 102.10 1woh h GLY 213 Ca 0.35 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 1woh h GLY 213 CO -0.13 0.60 0.16 -2.08 0.00 0.00 0.00 176.54 175.09 1woh h VAL 214 N 0.90 1.17 -0.40 4.60 2.07 -1.01 -1.87 116.25 121.71 1woh h VAL 214 Ca 0.18 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1woh h VAL 214 Cb 0.39 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1woh h VAL 214 CO 0.01 0.18 0.27 -0.07 0.02 0.00 0.00 177.57 177.98 1woh h LEU 215 N 0.42 0.45 -1.54 2.57 3.38 -1.19 0.55 115.31 119.95 1woh h LEU 215 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1woh h LEU 215 Cb 0.14 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1woh h LEU 215 CO -0.01 0.33 -0.23 0.00 0.09 0.00 0.00 178.44 178.61 1woh h ALA 216 N 1.75 1.35 -0.01 1.53 0.00 -0.74 -2.41 119.26 120.74 1woh h ALA 216 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1woh h ALA 216 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1woh h ALA 216 CO -0.03 0.29 -0.04 1.04 0.00 0.00 0.00 179.25 180.51 1woh n GLN 217 N -3.88 1.19 -1.95 0.00 6.02 0.17 -4.90 117.38 114.03 1woh n GLN 217 Ca -0.02 -0.49 -0.32 0.00 -0.01 0.00 0.00 57.00 56.17 1woh n GLN 217 Cb 0.32 -1.49 0.01 0.00 1.02 0.00 0.00 30.24 30.11 1woh n GLN 217 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1woh s LEU 218 N -2.14 3.38 0.68 1.08 1.43 -0.91 -5.02 118.68 117.18 1woh s LEU 218 Ca 0.38 1.67 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 1woh s LEU 218 Cb 0.21 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.93 1woh s LEU 218 CO 0.39 -1.11 1.18 -2.16 0.23 0.00 0.00 176.35 174.88 1woh s PRO 219 N -4.48 2.54 -0.07 1.29 0.04 -1.26 -5.05 135.00 128.00 1woh s PRO 219 Ca 0.60 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.32 1woh s PRO 219 Cb -0.14 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1woh s PRO 219 CO 0.43 -1.51 -0.09 1.03 0.04 0.00 0.00 177.00 176.90 1woh s ARG 220 N -3.82 1.47 -1.16 4.56 0.52 -1.26 -4.79 118.95 114.46 1woh s ARG 220 Ca 0.73 -0.30 -0.06 0.00 -0.52 0.00 0.00 55.73 55.58 1woh s ARG 220 Cb -0.27 -1.34 0.01 0.00 0.52 0.00 0.00 34.95 33.87 1woh s ARG 220 CO 0.41 -0.08 0.81 0.41 0.02 0.00 0.00 175.30 176.87 1woh n GLY 221 N 4.20 -0.28 3.53 -3.53 0.00 0.18 -5.01 105.19 104.29 1woh n GLY 221 Ca -0.20 0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 1woh n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1woh s GLN 222 N -5.88 1.79 -0.35 1.61 -1.52 -1.26 -4.92 119.66 109.14 1woh s GLN 222 Ca 0.40 -1.95 -0.25 0.00 -1.95 0.00 0.00 55.36 51.61 1woh s GLN 222 Cb -0.18 -1.53 0.01 0.00 -0.22 0.00 0.00 33.01 31.09 1woh s GLN 222 CO 0.50 0.05 0.90 -0.80 -0.25 0.00 0.00 175.29 175.69 1woh s ASN 223 N -3.59 6.70 -0.07 5.90 0.01 -1.26 -1.28 114.94 121.35 1woh s ASN 223 Ca 0.33 0.64 0.05 0.00 -0.71 0.00 0.00 52.86 53.16 1woh s ASN 223 Cb 0.05 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 1woh s ASN 223 CO 0.16 -0.79 -0.22 -0.69 -1.51 0.00 0.00 177.10 174.05 1woh s VAL 224 N 3.34 2.35 -0.17 1.60 1.01 0.71 -0.51 120.40 128.74 1woh s VAL 224 Ca 0.37 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1woh s VAL 224 Cb -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1woh s VAL 224 CO 0.17 0.57 -0.07 -0.47 0.00 0.00 0.00 175.10 175.30 1woh s TYR 225 N -0.18 2.94 -0.10 5.22 5.04 0.20 -0.87 117.35 129.61 1woh s TYR 225 Ca -0.02 -0.59 -0.16 0.00 -2.44 0.00 0.00 57.07 53.86 1woh s TYR 225 Cb -0.14 -1.97 -0.05 0.00 0.35 0.00 0.00 41.96 40.16 1woh s TYR 225 CO 0.04 -0.24 0.40 -0.06 -1.34 0.00 0.00 175.55 174.34 1woh s PHE 226 N 0.71 3.56 -0.19 4.97 2.99 -0.10 -1.85 117.98 128.06 1woh s PHE 226 Ca -0.03 0.83 0.00 0.00 0.00 0.00 0.00 56.93 57.73 1woh s PHE 226 Cb -0.15 -2.41 0.05 0.00 0.00 0.00 0.00 43.02 40.51 1woh s PHE 226 CO 0.02 0.33 -0.08 0.45 -0.00 0.00 0.00 175.22 175.94 1woh s SER 227 N 0.08 3.29 -0.32 1.36 0.15 -0.61 -0.71 113.70 116.95 1woh s SER 227 Ca 0.23 -0.87 -0.04 0.00 0.70 0.00 0.00 55.95 55.97 1woh s SER 227 Cb -0.15 -1.12 0.04 0.00 -1.71 0.00 0.00 66.02 63.08 1woh s SER 227 CO 0.09 -0.17 0.06 -0.69 1.20 0.00 0.00 173.24 173.73 1woh s VAL 228 N 1.47 3.44 -0.25 4.45 1.01 -0.14 -1.33 120.40 129.06 1woh s VAL 228 Ca -0.01 -1.22 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 1woh s VAL 228 Cb -0.16 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1woh s VAL 228 CO -0.08 -0.13 0.49 -0.62 0.00 0.00 0.00 175.10 174.77 1woh s ASP 229 N 1.34 6.44 0.63 3.32 -1.08 -0.64 -0.86 116.67 125.82 1woh s ASP 229 Ca -0.03 0.53 0.40 0.00 -0.52 0.00 0.00 52.55 52.93 1woh s ASP 229 Cb -0.19 -2.27 2.19 0.00 -1.46 0.00 0.00 42.92 41.18 1woh s ASP 229 CO 0.01 -0.24 2.23 -0.37 0.52 0.00 0.00 175.17 177.32 1woh h VAL 230 N 5.32 0.00 0.00 1.11 -1.51 -1.65 -0.54 116.25 118.99 1woh h VAL 230 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1woh h VAL 230 Cb 1.15 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1woh h VAL 230 CO 0.71 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.15 1woh n ASP 231 N -2.95 0.00 0.20 4.19 5.68 -1.26 -1.73 116.55 120.68 1woh n ASP 231 Ca -0.03 -0.49 0.07 0.00 -0.50 0.00 0.00 54.79 53.85 1woh n ASP 231 Cb 0.11 -0.11 0.40 0.00 -1.14 0.00 0.00 41.12 40.38 1woh n ASP 231 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1woh h GLY 232 N 3.83 0.00 -1.98 6.12 0.00 -1.35 -3.37 103.07 106.32 1woh h GLY 232 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1woh h GLY 232 CO 0.00 0.00 0.27 -1.36 0.00 0.00 0.00 176.54 175.45 1woh s PHE 233 N -3.69 3.48 0.33 5.60 0.40 -0.70 -1.61 117.98 121.79 1woh s PHE 233 Ca -0.00 1.26 -0.29 0.00 -0.60 0.00 0.00 56.93 57.30 1woh s PHE 233 Cb 0.11 -2.63 -0.11 0.00 0.51 0.00 0.00 43.02 40.90 1woh s PHE 233 CO 0.67 -0.30 1.57 0.34 0.70 0.00 0.00 175.22 178.19 1woh s ASP 234 N -3.27 6.34 0.62 1.36 -1.08 0.41 -4.52 116.67 116.53 1woh s ASP 234 Ca 0.55 3.01 0.38 0.00 -0.52 0.00 0.00 52.55 55.96 1woh s ASP 234 Cb -0.10 -2.65 2.10 0.00 -1.46 0.00 0.00 42.92 40.81 1woh s ASP 234 CO 0.34 -0.92 2.30 -0.65 0.52 0.00 0.00 175.17 176.76 1woh h PRO 235 N 4.18 0.00 -0.16 4.34 0.11 -1.78 -0.07 132.00 138.62 1woh h PRO 235 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1woh h PRO 235 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1woh h PRO 235 CO 0.74 0.01 -0.45 0.00 -0.21 0.00 0.00 178.00 178.09 1woh h ALA 236 N 1.99 0.94 0.00 -0.75 0.00 -1.95 -1.75 119.26 117.75 1woh h ALA 236 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1woh h ALA 236 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1woh h ALA 236 CO 0.00 0.64 -0.35 0.28 0.00 0.00 0.00 179.25 179.82 1woh h VAL 237 N 0.31 1.47 -2.92 0.00 2.07 -1.48 -3.42 116.25 112.28 1woh h VAL 237 Ca 0.02 -2.24 -0.61 0.00 0.82 0.00 0.00 66.70 64.69 1woh h VAL 237 Cb 0.91 2.91 -0.41 0.00 -1.52 0.00 0.00 31.29 33.18 1woh h VAL 237 CO 0.08 0.50 -0.67 -0.63 0.02 0.00 0.00 177.57 176.87 1woh s ILE 238 N -2.24 2.28 -0.27 4.57 -1.09 -0.20 -4.64 121.20 119.61 1woh s ILE 238 Ca -0.21 -3.87 0.28 0.00 -2.23 0.00 0.00 60.65 54.62 1woh s ILE 238 Cb -0.00 -2.51 0.33 0.00 -1.58 0.00 0.00 42.46 38.70 1woh s ILE 238 CO 0.63 -1.06 1.81 1.55 -1.23 0.00 0.00 174.94 176.65 1woh h PRO 239 N 5.49 0.00 -5.80 2.79 0.13 -1.55 -3.40 132.00 129.65 1woh h PRO 239 Ca 0.17 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.67 1woh h PRO 239 Cb 0.79 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 1woh h PRO 239 CO 0.63 0.00 2.04 0.41 -0.23 0.00 0.00 178.00 180.85 1woh n GLY 240 N 0.38 2.36 3.49 1.56 0.00 -1.26 -4.78 105.19 106.94 1woh n GLY 240 Ca 0.02 -1.35 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1woh n GLY 240 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1woh s THR 241 N 5.26 0.00 0.08 2.61 -1.32 -1.26 -0.42 115.64 120.59 1woh s THR 241 Ca 0.56 0.00 -0.32 0.00 -1.21 0.00 0.00 61.69 60.72 1woh s THR 241 Cb 0.03 -1.00 -0.16 0.00 -1.51 0.00 0.00 72.50 69.87 1woh s THR 241 CO 0.09 0.00 1.61 -1.28 -2.21 0.00 0.00 174.62 172.83 1woh h SER 242 N 2.51 -0.93 -2.96 8.08 0.87 -1.78 -3.39 113.55 115.95 1woh h SER 242 Ca -0.28 0.06 -0.62 0.00 -1.23 0.00 0.00 61.79 59.73 1woh h SER 242 Cb 1.21 0.29 -0.42 0.00 -0.44 0.00 0.00 62.40 63.04 1woh h SER 242 CO 0.37 -0.54 -0.62 -1.20 -0.53 0.00 0.00 176.83 174.31 1woh n SER 243 N -5.48 2.68 -4.76 6.23 7.64 -1.26 -4.50 113.62 114.16 1woh n SER 243 Ca -0.11 -3.14 -0.38 0.00 1.01 0.00 0.00 58.87 56.25 1woh n SER 243 Cb 0.38 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1woh n SER 243 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1woh s PRO 244 N -1.36 3.68 -0.09 1.43 0.04 -1.26 -5.00 135.00 132.43 1woh s PRO 244 Ca 0.27 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.33 1woh s PRO 244 Cb -0.02 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 32.04 1woh s PRO 244 CO -0.17 -0.68 -0.13 -2.00 0.04 0.00 0.00 177.00 174.07 1woh s GLU 245 N -2.59 1.89 0.93 4.56 2.56 -1.26 -5.07 118.70 119.72 1woh s GLU 245 Ca 0.63 -0.45 -0.10 0.00 0.00 0.00 0.00 54.97 55.05 1woh s GLU 245 Cb -0.35 -1.64 0.16 0.00 2.00 0.00 0.00 34.13 34.30 1woh s GLU 245 CO 0.42 -0.06 1.12 -1.25 -0.56 0.00 0.00 175.26 174.94 1woh s PRO 246 N 0.97 0.88 -0.98 4.30 0.04 -1.26 -4.26 135.00 134.69 1woh s PRO 246 Ca -0.08 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 1woh s PRO 246 Cb -0.15 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1woh s PRO 246 CO -0.00 -2.68 0.82 -0.25 0.04 0.00 0.00 177.00 174.92 1woh n ASP 247 N -4.25 -6.50 -0.84 6.66 8.00 -1.26 -4.92 116.55 113.43 1woh n ASP 247 Ca 0.10 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.96 1woh n ASP 247 Cb 0.52 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.06 1woh n ASP 247 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1woh n GLY 248 N -1.50 3.66 3.77 0.44 0.00 -1.26 -4.94 105.19 105.36 1woh n GLY 248 Ca -0.07 -2.09 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 1woh n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1woh s LEU 249 N 0.00 4.16 0.64 0.99 1.43 -0.63 -4.12 118.68 121.16 1woh s LEU 249 Ca 0.00 2.31 -0.08 0.00 -1.03 0.00 0.00 54.13 55.33 1woh s LEU 249 Cb 0.00 -4.07 0.02 0.00 0.03 0.00 0.00 46.19 42.17 1woh s LEU 249 CO 0.00 -0.69 0.98 0.42 0.23 0.00 0.00 176.35 177.29 1woh s THR 250 N -1.46 3.47 0.18 5.49 -4.23 -1.26 -0.44 115.64 117.39 1woh s THR 250 Ca 0.58 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 61.10 1woh s THR 250 Cb -0.29 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.20 1woh s THR 250 CO 0.37 -0.48 1.79 0.22 -0.54 0.00 0.00 174.62 175.98 1woh h TYR 251 N -0.38 0.50 -0.76 3.99 3.20 -1.97 -2.07 116.97 119.48 1woh h TYR 251 Ca -0.45 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.49 1woh h TYR 251 Cb 1.26 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 1woh h TYR 251 CO 0.47 0.25 0.45 0.00 -1.64 0.00 0.00 178.16 177.70 1woh h ALA 252 N 1.27 1.02 -0.05 1.82 0.00 -1.99 -0.42 119.26 120.91 1woh h ALA 252 Ca 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1woh h ALA 252 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1woh h ALA 252 CO -0.14 0.18 0.01 1.96 0.00 0.00 0.00 179.25 181.25 1woh h GLN 253 N 0.84 0.08 -0.90 0.00 4.20 -1.84 -0.09 115.11 117.41 1woh h GLN 253 Ca 0.33 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.05 1woh h GLN 253 Cb 0.15 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1woh h GLN 253 CO -0.16 0.33 0.58 0.78 -0.67 0.00 0.00 178.83 179.69 1woh h GLY 254 N -0.18 1.31 0.96 3.46 0.00 -1.14 -2.10 103.07 105.38 1woh h GLY 254 Ca 0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1woh h GLY 254 CO 0.00 0.37 -0.05 1.98 0.00 0.00 0.00 176.54 178.85 1woh h MET 255 N 1.12 0.73 -0.96 4.80 1.85 -0.95 -2.17 114.93 119.35 1woh h MET 255 Ca 0.36 -0.26 0.08 0.00 -0.61 0.00 0.00 59.70 59.27 1woh h MET 255 Cb 0.02 -0.05 -0.07 0.00 0.43 0.00 0.00 31.60 31.92 1woh h MET 255 CO -0.12 0.84 0.62 0.87 -0.40 0.00 0.00 176.91 178.72 1woh h LYS 256 N 0.55 1.03 -0.14 0.39 1.57 -0.54 0.47 116.57 119.89 1woh h LYS 256 Ca 0.11 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1woh h LYS 256 Cb 0.55 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1woh h LYS 256 CO 0.03 0.68 0.01 0.82 -0.57 0.00 0.00 179.45 180.42 1woh h ILE 257 N 1.06 1.24 -0.41 1.86 2.04 -1.19 -1.33 117.51 120.78 1woh h ILE 257 Ca 0.43 -0.77 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 1woh h ILE 257 Cb 0.27 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 1woh h ILE 257 CO -0.18 0.23 0.12 -0.07 0.00 0.00 0.00 178.15 178.25 1woh h LEU 258 N 0.01 0.60 -0.61 1.44 3.38 -0.71 -2.19 115.31 117.23 1woh h LEU 258 Ca 0.04 -0.21 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1woh h LEU 258 Cb 0.34 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1woh h LEU 258 CO 0.01 0.65 0.35 0.00 0.09 0.00 0.00 178.44 179.54 1woh h ALA 259 N 0.97 0.79 0.00 1.53 0.00 -0.02 0.79 119.26 123.32 1woh h ALA 259 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1woh h ALA 259 Cb 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1woh h ALA 259 CO -0.00 0.06 -0.00 0.00 0.00 0.00 0.00 179.25 179.30 1woh h ALA 260 N 1.29 -0.01 -0.85 0.00 0.00 -1.09 -1.59 119.26 117.02 1woh h ALA 260 Ca 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1woh h ALA 260 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1woh h ALA 260 CO -0.13 -0.46 0.41 0.00 0.00 0.00 0.00 179.25 179.06 1woh h ALA 261 N 0.91 1.09 0.00 0.00 0.00 -1.08 -2.38 119.26 117.80 1woh h ALA 261 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1woh h ALA 261 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1woh h ALA 261 CO 0.00 0.66 -0.22 0.00 0.00 0.00 0.00 179.25 179.68 1woh h ALA 262 N 1.22 1.32 0.00 0.00 0.00 -0.64 -2.45 119.26 118.71 1woh h ALA 262 Ca 0.29 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1woh h ALA 262 Cb 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1woh h ALA 262 CO -0.04 0.28 -0.43 0.00 0.00 0.00 0.00 179.25 179.06 1woh h ALA 263 N 1.78 0.76 -0.06 0.00 0.00 -0.77 -3.36 119.26 117.61 1woh h ALA 263 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1woh h ALA 263 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1woh h ALA 263 CO 0.03 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.80 1woh n ASN 264 N -3.14 2.53 -4.02 0.00 3.02 -1.08 -4.93 115.26 107.64 1woh n ASN 264 Ca 0.02 -2.75 -0.10 0.00 -0.03 0.00 0.00 54.58 51.72 1woh n ASN 264 Cb 0.67 -0.33 -0.07 0.00 -0.61 0.00 0.00 39.78 39.44 1woh n ASN 264 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1woh s ASN 265 N -2.16 0.01 -0.38 6.41 0.01 -0.95 0.50 114.94 118.39 1woh s ASN 265 Ca 0.25 -0.98 -0.20 0.00 -0.71 0.00 0.00 52.86 51.22 1woh s ASN 265 Cb 0.21 0.48 0.01 0.00 0.41 0.00 0.00 41.25 42.36 1woh s ASN 265 CO 0.04 -0.97 0.61 -0.89 -1.51 0.00 0.00 177.10 174.37 1woh s THR 266 N -4.02 4.90 -0.36 1.60 2.01 -0.40 -4.83 115.64 114.54 1woh s THR 266 Ca 0.23 0.40 -0.23 0.00 0.31 0.00 0.00 61.69 62.40 1woh s THR 266 Cb 0.03 -4.08 0.01 0.00 0.01 0.00 0.00 72.50 68.46 1woh s THR 266 CO 0.05 -0.37 0.77 -0.69 -0.69 0.00 0.00 174.62 173.70 1woh s VAL 267 N 2.66 4.75 -0.73 3.82 1.01 -1.26 -0.21 120.40 130.43 1woh s VAL 267 Ca 0.22 0.85 0.24 0.00 0.00 0.00 0.00 61.98 63.30 1woh s VAL 267 Cb -0.15 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.01 1woh s VAL 267 CO 0.16 -0.42 1.23 1.33 0.00 0.00 0.00 175.10 177.39 1woh n VAL 268 N 5.77 0.19 0.00 2.92 0.24 -0.05 -4.82 118.33 122.57 1woh n VAL 268 Ca 0.03 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1woh n VAL 268 Cb 0.48 0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1woh n VAL 268 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1woh n GLY 269 N 1.40 1.14 3.33 7.63 0.00 -1.25 -4.30 105.19 113.14 1woh n GLY 269 Ca 0.03 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 1woh n GLY 269 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1woh s LEU 270 N 0.00 0.30 0.14 0.99 0.20 -0.96 -0.92 118.68 118.43 1woh s LEU 270 Ca 0.00 0.89 0.10 0.00 0.69 0.00 0.00 54.13 55.81 1woh s LEU 270 Cb 0.00 1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 47.23 1woh s LEU 270 CO 0.00 -0.15 -0.24 1.51 -0.29 0.00 0.00 176.35 177.17 1woh s ASP 271 N 0.27 3.11 -0.21 3.68 1.47 0.11 -0.57 116.67 124.53 1woh s ASP 271 Ca -0.00 -0.76 -0.01 0.00 1.18 0.00 0.00 52.55 52.96 1woh s ASP 271 Cb -0.03 -0.20 0.06 0.00 -0.34 0.00 0.00 42.92 42.40 1woh s ASP 271 CO 0.00 0.13 -0.03 -0.22 0.68 0.00 0.00 175.17 175.73 1woh s LEU 272 N -2.18 2.00 0.32 2.11 1.98 -0.03 -0.97 118.68 121.91 1woh s LEU 272 Ca 0.14 -0.99 0.05 0.00 -2.89 0.00 0.00 54.13 50.44 1woh s LEU 272 Cb -0.09 -0.96 -0.06 0.00 0.66 0.00 0.00 46.19 45.73 1woh s LEU 272 CO 0.06 -0.25 0.01 0.68 -1.89 0.00 0.00 176.35 174.96 1woh s VAL 273 N 1.57 1.47 -0.11 1.68 -7.23 -0.03 -0.17 120.40 117.58 1woh s VAL 273 Ca -0.03 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.09 1woh s VAL 273 Cb -0.18 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1woh s VAL 273 CO -0.07 -0.11 0.00 -0.62 -0.31 0.00 0.00 175.10 173.99 1woh n GLU 274 N -0.69 -1.09 -2.36 4.82 -0.58 -0.10 -1.77 120.64 118.88 1woh n GLU 274 Ca -0.04 0.34 -0.41 0.00 -0.42 0.00 0.00 57.16 56.63 1woh n GLU 274 Cb 0.65 -4.19 -0.03 0.00 -0.57 0.00 0.00 31.44 27.30 1woh n GLU 274 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1woh s LEU 275 N -0.24 4.45 -0.49 -4.62 0.20 -1.26 -4.20 118.68 112.51 1woh s LEU 275 Ca 0.00 2.24 0.03 0.00 0.69 0.00 0.00 54.13 57.09 1woh s LEU 275 Cb 0.00 -3.61 0.14 0.00 -0.43 0.00 0.00 46.19 42.29 1woh s LEU 275 CO 0.00 -0.38 0.28 0.00 -0.29 0.00 0.00 176.35 175.96 1woh s ALA 276 N -0.03 2.56 0.34 5.97 0.00 0.44 -3.81 121.76 127.22 1woh s ALA 276 Ca 0.53 -2.89 0.09 0.00 0.00 0.00 0.00 51.96 49.69 1woh s ALA 276 Cb -0.33 -1.96 0.84 0.00 0.00 0.00 0.00 23.12 21.67 1woh s ALA 276 CO 0.37 -2.05 1.80 -1.35 0.00 0.00 0.00 175.76 174.52 1woh h PRO 277 N 6.43 0.65 0.00 0.00 0.11 -1.81 -0.66 132.00 136.72 1woh h PRO 277 Ca 0.02 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1woh h PRO 277 Cb 0.90 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1woh h PRO 277 CO 0.55 0.43 0.00 -2.95 -0.21 0.00 0.00 178.00 175.82 1woh h ASN 278 N 0.67 0.00 -0.13 -2.05 -1.07 -1.94 -2.23 115.58 108.83 1woh h ASN 278 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.92 1woh h ASN 278 Cb 0.99 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.24 1woh h ASN 278 CO -0.32 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.36 1woh n LEU 279 N -2.69 2.55 -3.55 6.14 4.77 -0.25 -4.64 117.00 119.32 1woh n LEU 279 Ca -0.00 -0.95 -0.29 0.00 -0.03 0.00 0.00 56.01 54.74 1woh n LEU 279 Cb 0.16 -0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.06 1woh n LEU 279 CO 0.19 0.47 -0.28 -0.62 -1.33 0.00 0.00 177.39 175.83 1woh s ASP 280 N -1.82 2.98 0.00 -1.43 3.68 -0.84 -4.43 116.67 114.81 1woh s ASP 280 Ca 0.33 -2.59 0.07 0.00 2.13 0.00 0.00 52.55 52.50 1woh s ASP 280 Cb 0.20 -0.68 0.32 0.00 -1.45 0.00 0.00 42.92 41.32 1woh s ASP 280 CO 0.31 -0.26 1.22 -0.81 0.13 0.00 0.00 175.17 175.76 1woh n PRO 281 N 3.53 0.02 0.08 4.34 -0.04 -1.26 -1.62 135.00 140.05 1woh n PRO 281 Ca 0.15 0.35 0.13 0.00 -0.04 0.00 0.00 63.50 64.09 1woh n PRO 281 Cb 0.38 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.66 1woh n PRO 281 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1woh n THR 282 N -1.47 0.47 -0.83 0.52 -2.24 -1.26 -4.93 114.28 104.54 1woh n THR 282 Ca 0.02 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1woh n THR 282 Cb 0.08 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.93 1woh n THR 282 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1woh n GLY 283 N 1.33 0.49 0.21 3.38 0.00 -0.64 -4.87 105.19 105.10 1woh n GLY 283 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1woh n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woh h ARG 284 N 1.42 0.00 0.06 1.61 0.11 -1.92 -2.96 114.38 112.71 1woh h ARG 284 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woh h ARG 284 Cb 0.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.18 1woh h ARG 284 CO 0.00 0.30 -0.06 0.77 0.10 0.00 0.00 179.97 181.08 1woh h SER 285 N 0.00 -0.16 0.58 0.08 0.02 -1.88 -0.46 113.55 111.72 1woh h SER 285 Ca -0.00 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1woh h SER 285 Cb 0.66 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 1woh h SER 285 CO 0.04 -0.10 -0.66 1.05 -1.14 0.00 0.00 176.83 176.02 1woh h GLU 286 N -0.14 0.07 -0.21 3.45 9.09 -1.92 -2.01 114.58 122.91 1woh h GLU 286 Ca 0.00 -0.06 -0.03 0.00 0.05 0.00 0.00 59.36 59.32 1woh h GLU 286 Cb 0.13 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 1woh h GLU 286 CO -0.02 0.71 0.00 -0.07 0.05 0.00 0.00 179.01 179.68 1woh h LEU 287 N 0.05 0.37 -0.62 3.06 3.38 -1.33 -1.18 115.31 119.04 1woh h LEU 287 Ca -0.01 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.52 1woh h LEU 287 Cb 1.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1woh h LEU 287 CO 0.09 0.59 -0.35 -0.07 0.09 0.00 0.00 178.44 178.79 1woh h LEU 288 N 0.14 0.73 -0.52 1.67 4.07 -1.09 -2.40 115.31 117.91 1woh h LEU 288 Ca 0.06 -0.31 -0.16 0.00 0.08 0.00 0.00 57.88 57.55 1woh h LEU 288 Cb 0.40 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1woh h LEU 288 CO 0.01 1.01 -0.68 0.24 -1.08 0.00 0.00 178.44 177.94 1woh h MET 289 N 0.58 0.27 -0.44 1.13 2.86 -1.33 0.04 114.93 118.04 1woh h MET 289 Ca 0.06 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.38 1woh h MET 289 Cb 0.87 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 1woh h MET 289 CO 0.08 0.85 -0.18 0.00 1.06 0.00 0.00 176.91 178.72 1woh h ALA 290 N 1.09 0.86 -0.64 6.32 0.00 -1.17 -2.07 119.26 123.65 1woh h ALA 290 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 1woh h ALA 290 Cb 1.23 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1woh h ALA 290 CO 0.11 0.64 0.08 -0.09 0.00 0.00 0.00 179.25 179.99 1woh h ARG 291 N 0.74 1.08 -0.46 0.00 2.43 -1.16 -2.16 114.38 114.85 1woh h ARG 291 Ca 0.11 -0.30 0.07 0.00 -0.81 0.00 0.00 59.98 59.04 1woh h ARG 291 Cb 0.70 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1woh h ARG 291 CO 0.05 1.01 0.14 1.25 -1.51 0.00 0.00 179.97 180.91 1woh h LEU 292 N 0.99 0.11 -0.40 3.80 5.85 -0.57 0.40 115.31 125.50 1woh h LEU 292 Ca 0.19 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.98 1woh h LEU 292 Cb 0.46 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1woh h LEU 292 CO 0.02 0.09 0.26 0.58 -0.34 0.00 0.00 178.44 179.05 1woh h VAL 293 N 0.30 1.09 -0.59 1.05 2.07 -1.15 0.50 116.25 119.51 1woh h VAL 293 Ca 0.22 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 1woh h VAL 293 Cb 0.24 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 1woh h VAL 293 CO -0.25 0.10 0.00 0.24 0.02 0.00 0.00 177.57 177.68 1woh h MET 294 N 0.53 1.03 -0.30 1.57 2.86 -0.70 -1.55 114.93 118.37 1woh h MET 294 Ca 0.15 -0.32 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 1woh h MET 294 Cb -0.05 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1woh h MET 294 CO -0.04 1.01 -0.31 1.49 1.06 0.00 0.00 176.91 180.12 1woh h GLU 295 N 0.95 0.65 -0.56 1.72 4.81 0.02 -1.77 114.58 120.39 1woh h GLU 295 Ca 0.17 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.07 1woh h GLU 295 Cb 0.54 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1woh h GLU 295 CO 0.03 0.88 0.20 1.15 -0.73 0.00 0.00 179.01 180.53 1woh h THR 296 N 0.55 1.23 -0.83 0.32 2.02 -0.63 -2.38 112.91 113.19 1woh h THR 296 Ca 0.06 -0.76 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1woh h THR 296 Cb 0.81 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.85 1woh h THR 296 CO 0.07 0.29 0.43 -0.07 0.37 0.00 0.00 175.52 176.61 1woh h LEU 297 N 0.78 1.05 -1.00 2.58 3.38 -1.00 -0.88 115.31 120.21 1woh h LEU 297 Ca 0.18 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1woh h LEU 297 Cb 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1woh h LEU 297 CO -0.01 0.85 0.09 0.00 0.09 0.00 0.00 178.44 179.47 1woh h GLU 299 N 0.78 0.71 0.35 0.00 4.39 -0.88 -1.09 114.58 118.83 1woh h GLU 299 Ca 0.17 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1woh h GLU 299 Cb 0.34 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1woh h GLU 299 CO 0.00 0.85 -0.43 0.28 -1.16 0.00 0.00 179.01 178.56 1woh h VAL 300 N 0.52 0.14 0.00 3.13 2.07 -0.80 -2.80 116.25 118.51 1woh h VAL 300 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1woh h VAL 300 Cb 0.58 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1woh h VAL 300 CO 0.03 0.00 0.00 -0.26 0.02 0.00 0.00 177.57 177.36 1woh h PHE 301 N -0.82 0.00 -0.00 1.57 -1.00 -1.37 -1.25 116.94 114.07 1woh h PHE 301 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1woh h PHE 301 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1woh h PHE 301 CO -0.27 0.00 -0.01 -3.47 -1.61 0.00 0.00 178.31 172.95 1woh n ASP 302 N -2.94 0.05 0.00 2.17 2.03 -0.42 -4.03 116.55 113.42 1woh n ASP 302 Ca 0.02 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.87 1woh n ASP 302 Cb 0.34 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 1woh n ASP 302 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1woh n HIS 303 N -1.16 0.00 -1.72 -0.67 8.25 -1.09 -5.06 115.22 113.77 1woh n HIS 303 Ca 0.17 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 1woh n HIS 303 Cb 0.20 0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.34 1woh n HIS 303 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1woh n VAL 304 N 0.00 2.66 1.36 1.59 0.31 -0.49 -4.97 118.33 118.78 1woh n VAL 304 Ca 0.00 -0.50 0.11 0.00 -0.01 0.00 0.00 64.34 63.94 1woh n VAL 304 Cb 0.32 -1.67 0.64 0.00 -0.91 0.00 0.00 33.84 32.22 1woh n VAL 304 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69