#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woi n PRO 4 N 0.00 0.08 -4.44 1.61 -0.04 -1.26 -5.04 135.00 125.91 1woi n PRO 4 Ca 0.00 0.10 -0.26 0.00 -0.04 0.00 0.00 63.50 63.30 1woi n PRO 4 Cb 0.00 -2.39 -0.13 0.00 -0.04 0.00 0.00 33.50 30.94 1woi n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1woi s ALA 5 N -2.20 2.03 0.57 0.55 0.00 -1.26 -5.13 121.76 116.33 1woi s ALA 5 Ca 0.72 -1.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.19 1woi s ALA 5 Cb -0.28 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1woi s ALA 5 CO 0.53 0.44 1.22 -1.01 0.00 0.00 0.00 175.76 176.93 1woi s HIS 6 N -1.03 2.43 0.72 0.00 3.76 -1.26 -5.04 115.29 114.87 1woi s HIS 6 Ca 0.10 1.50 -0.07 0.00 -0.15 0.00 0.00 55.06 56.44 1woi s HIS 6 Cb -0.10 -3.50 0.08 0.00 1.11 0.00 0.00 32.58 30.17 1woi s HIS 6 CO 0.04 -2.20 1.04 -0.51 -0.85 0.00 0.00 174.74 172.26 1woi s LEU 7 N -3.92 2.82 0.40 0.89 2.01 -1.26 -4.93 118.68 114.69 1woi s LEU 7 Ca 0.76 0.39 0.11 0.00 0.01 0.00 0.00 54.13 55.40 1woi s LEU 7 Cb -0.31 -2.97 0.92 0.00 0.01 0.00 0.00 46.19 43.84 1woi s LEU 7 CO 0.34 -1.70 1.94 -0.65 1.01 0.00 0.00 176.35 177.29 1woi h PRO 8 N -0.67 0.53 -0.06 1.29 0.11 -1.97 -1.26 132.00 129.97 1woi h PRO 8 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1woi h PRO 8 Cb 1.31 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1woi h PRO 8 CO 0.57 0.35 0.00 2.48 -0.21 0.00 0.00 178.00 181.20 1woi n TYR 9 N -4.49 0.07 -4.38 0.65 4.11 -1.26 -4.86 117.16 107.00 1woi n TYR 9 Ca 0.12 -0.04 -0.32 0.00 -0.00 0.00 0.00 57.90 57.67 1woi n TYR 9 Cb 0.39 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.63 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 -1.61 1.79 0.00 -7.48 0.00 -0.48 -5.05 107.32 94.48 1woi s GLY 10 Ca 0.31 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.97 1woi s GLY 10 CO 0.24 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 173.01 1woi n GLY 11 N 1.32 -0.42 3.72 0.20 0.00 -1.26 -4.65 105.19 104.10 1woi n GLY 11 Ca -0.15 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.00 3.84 -0.85 -0.61 -1.09 -1.26 -4.96 121.20 114.28 1woi s ILE 12 Ca 0.00 1.39 -0.25 0.00 -2.23 0.00 0.00 60.65 59.56 1woi s ILE 12 Cb 0.00 -3.89 0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1woi s ILE 12 CO 0.00 0.14 1.31 -2.16 -1.23 0.00 0.00 174.94 173.00 1woi s PRO 13 N 0.66 3.36 0.18 2.79 0.04 -1.26 -4.93 135.00 135.83 1woi s PRO 13 Ca 0.57 -0.71 0.07 0.00 0.04 0.00 0.00 61.00 60.97 1woi s PRO 13 Cb -0.31 -4.67 -0.04 0.00 0.04 0.00 0.00 34.50 29.52 1woi s PRO 13 CO 0.31 -2.12 0.01 0.95 0.04 0.00 0.00 177.00 176.20 1woi s THR 14 N 5.13 3.77 0.16 1.26 -4.23 -1.26 -4.71 115.64 115.77 1woi s THR 14 Ca 0.38 -1.44 -0.31 0.00 -1.18 0.00 0.00 61.69 59.14 1woi s THR 14 Cb -0.06 -2.91 -0.11 0.00 1.34 0.00 0.00 72.50 70.76 1woi s THR 14 CO 0.04 -0.14 1.77 0.12 -0.54 0.00 0.00 174.62 175.87 1woi s PHE 15 N -1.79 2.52 -1.63 3.99 5.36 -1.26 -0.66 117.98 124.50 1woi s PHE 15 Ca 0.28 0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.42 1woi s PHE 15 Cb -0.09 -4.15 0.00 0.00 -0.34 0.00 0.00 43.02 38.44 1woi s PHE 15 CO 0.19 -4.57 0.00 0.00 -1.46 0.00 0.00 175.22 169.39 1woi n ALA 16 N 4.87 -0.23 -2.29 11.12 0.00 -1.26 -1.03 120.51 131.69 1woi n ALA 16 Ca 0.17 0.25 -0.21 0.00 0.00 0.00 0.00 53.44 53.65 1woi n ALA 16 Cb 0.37 -1.91 -0.02 0.00 0.00 0.00 0.00 19.45 17.89 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 -1.51 -1.65 -1.69 0.00 0.63 0.16 -4.65 116.66 107.94 1woi n ARG 17 Ca -0.15 1.05 -0.31 0.00 -0.92 0.00 0.00 57.85 57.51 1woi n ARG 17 Cb 0.64 -5.68 0.04 0.00 0.45 0.00 0.00 32.46 27.91 1woi n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woi s ALA 18 N -3.01 2.76 0.54 5.13 0.00 -0.19 -4.93 121.76 122.06 1woi s ALA 18 Ca 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.86 1woi s ALA 18 Cb 0.00 -3.17 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1woi s ALA 18 CO 0.00 -1.07 1.21 -1.25 0.00 0.00 0.00 175.76 174.65 1woi s PRO 19 N -4.92 3.28 0.10 0.00 0.04 -1.26 -4.53 135.00 127.70 1woi s PRO 19 Ca 0.58 1.84 -0.24 0.00 0.04 0.00 0.00 61.00 63.22 1woi s PRO 19 Cb -0.14 -2.12 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 1woi s PRO 19 CO 0.52 -0.96 0.75 -1.17 0.04 0.00 0.00 177.00 176.17 1woi s LEU 20 N -3.65 4.52 0.15 -3.56 2.96 -1.26 -0.83 118.68 117.00 1woi s LEU 20 Ca 0.72 1.51 -0.02 0.00 -0.22 0.00 0.00 54.13 56.12 1woi s LEU 20 Cb -0.30 -3.22 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1woi s LEU 20 CO 0.35 0.12 0.10 0.68 -1.32 0.00 0.00 176.35 176.27 1woi s VAL 21 N -0.61 0.07 -0.03 1.68 -7.23 0.18 -4.90 120.40 109.56 1woi s VAL 21 Ca 0.36 -1.90 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1woi s VAL 21 Cb -0.21 -2.16 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 1woi s VAL 21 CO 0.24 -0.32 0.30 -1.10 -0.31 0.00 0.00 175.10 173.91 1woi s GLN 22 N -4.07 3.70 0.32 4.82 -1.52 -1.26 -4.11 119.66 117.53 1woi s GLN 22 Ca 0.28 0.14 0.09 0.00 -1.95 0.00 0.00 55.36 53.92 1woi s GLN 22 Cb 0.07 -3.17 0.86 0.00 -0.22 0.00 0.00 33.01 30.55 1woi s GLN 22 CO 0.05 0.70 1.74 -1.35 -0.25 0.00 0.00 175.29 176.17 1woi h PRO 23 N 4.59 0.59 -0.46 2.91 0.11 -1.94 0.11 132.00 137.91 1woi h PRO 23 Ca -0.52 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1woi h PRO 23 Cb 1.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1woi h PRO 23 CO 0.61 0.39 0.00 -0.40 -0.21 0.00 0.00 178.00 178.40 1woi n ASP 24 N -4.87 4.71 -3.72 -2.05 5.75 -1.26 -4.10 116.55 111.01 1woi n ASP 24 Ca 0.26 -2.83 -0.28 0.00 -0.01 0.00 0.00 54.79 51.93 1woi n ASP 24 Cb 0.71 -0.59 0.21 0.00 -1.03 0.00 0.00 41.12 40.43 1woi n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1woi n GLY 25 N 0.27 -1.89 3.39 6.12 0.00 0.02 -4.97 105.19 108.13 1woi n GLY 25 Ca 0.24 -1.64 -0.45 0.00 0.00 0.00 0.00 46.02 44.17 1woi n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1woi s ASP 26 N -5.24 6.96 0.19 1.61 2.15 -1.26 -4.96 116.67 116.12 1woi s ASP 26 Ca 0.71 -2.87 -0.10 0.00 0.43 0.00 0.00 52.55 50.71 1woi s ASP 26 Cb -0.03 -2.30 -0.01 0.00 -0.30 0.00 0.00 42.92 40.28 1woi s ASP 26 CO 0.51 -0.64 0.34 -1.66 -0.17 0.00 0.00 175.17 173.55 1woi s TRP 27 N 0.66 0.37 -0.13 -5.34 1.48 -1.26 -5.12 118.94 109.60 1woi s TRP 27 Ca 0.31 -0.73 -0.12 0.00 -1.06 0.00 0.00 56.10 54.50 1woi s TRP 27 Cb -0.07 0.02 0.04 0.00 -1.16 0.00 0.00 33.47 32.29 1woi s TRP 27 CO -0.07 -0.79 0.36 -0.65 -4.06 0.00 0.00 176.95 171.74 1woi s GLN 28 N -3.98 0.41 0.06 3.25 -0.21 -1.26 -4.82 119.66 113.12 1woi s GLN 28 Ca 0.18 0.50 -0.21 0.00 0.02 0.00 0.00 55.36 55.86 1woi s GLN 28 Cb 0.02 0.19 0.05 0.00 1.00 0.00 0.00 33.01 34.27 1woi s GLN 28 CO 0.02 -0.05 0.49 0.00 -2.12 0.00 0.00 175.29 173.63 1woi s ALA 29 N 0.24 -1.24 0.09 6.09 0.00 -0.86 -5.00 121.76 121.08 1woi s ALA 29 Ca -0.00 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.25 1woi s ALA 29 Cb -0.03 0.43 -0.08 0.00 0.00 0.00 0.00 23.12 23.44 1woi s ALA 29 CO 0.00 -0.52 1.50 -0.44 0.00 0.00 0.00 175.76 176.30 1woi h ASP 30 N 2.76 0.49 -4.37 0.00 3.32 -1.73 -3.11 116.42 113.77 1woi h ASP 30 Ca -0.31 -0.34 -0.63 0.00 0.02 0.00 0.00 57.03 55.76 1woi h ASP 30 Cb 1.22 -0.13 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 1woi h ASP 30 CO 0.42 0.72 -0.86 -0.69 -1.72 0.00 0.00 179.24 177.11 1woi s VAL 31 N -4.85 1.75 -0.02 -1.35 1.01 -0.41 -0.88 120.40 115.65 1woi s VAL 31 Ca -0.13 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1woi s VAL 31 Cb 0.08 -1.46 0.02 0.00 0.00 0.00 0.00 36.38 35.01 1woi s VAL 31 CO 0.76 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 176.34 1woi s ALA 32 N -0.42 0.31 -0.00 5.51 0.00 -1.08 -1.50 121.76 124.57 1woi s ALA 32 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 1woi s ALA 32 Cb -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1woi s ALA 32 CO -0.00 -0.02 0.13 0.00 0.00 0.00 0.00 175.76 175.87 1woi s ALA 33 N 0.61 3.75 -0.06 0.00 0.00 -0.26 -0.60 121.76 125.20 1woi s ALA 33 Ca -0.06 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 1woi s ALA 33 Cb -0.09 -1.71 0.04 0.00 0.00 0.00 0.00 23.12 21.36 1woi s ALA 33 CO -0.01 0.72 0.13 -1.17 0.00 0.00 0.00 175.76 175.43 1woi s LEU 34 N -1.86 0.56 0.05 0.00 2.96 -0.33 -0.65 118.68 119.41 1woi s LEU 34 Ca 0.25 0.27 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1woi s LEU 34 Cb -0.12 0.28 -0.04 0.00 0.50 0.00 0.00 46.19 46.80 1woi s LEU 34 CO 0.17 -0.17 0.25 -0.83 -1.32 0.00 0.00 176.35 174.44 1woi s GLY 35 N 1.45 2.21 -0.52 7.98 0.00 -0.32 -0.87 107.32 117.25 1woi s GLY 35 Ca -0.06 -0.72 0.04 0.00 0.00 0.00 0.00 44.72 43.98 1woi s GLY 35 CO -0.05 -0.65 0.38 0.14 0.00 0.00 0.00 173.10 172.92 1woi s VAL 36 N -1.47 1.44 -0.94 1.40 1.01 0.86 -1.42 120.40 121.30 1woi s VAL 36 Ca 0.33 -3.21 -0.09 0.00 0.00 0.00 0.00 61.98 59.02 1woi s VAL 36 Cb -0.13 -1.97 -0.07 0.00 0.00 0.00 0.00 36.38 34.21 1woi s VAL 36 CO 0.23 -1.09 2.12 -0.81 0.00 0.00 0.00 175.10 175.55 1woi n PRO 37 N 2.67 2.07 -4.29 2.72 -0.04 -1.26 -3.28 135.00 133.59 1woi n PRO 37 Ca 0.22 -1.59 -0.33 0.00 -0.04 0.00 0.00 63.50 61.76 1woi n PRO 37 Cb 0.41 -2.58 -0.16 0.00 -0.04 0.00 0.00 33.50 31.13 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 3.65 2.70 -0.00 0.54 5.36 -1.26 -4.73 117.98 124.24 1woi s PHE 38 Ca 0.44 -1.52 0.00 0.00 -0.96 0.00 0.00 56.93 54.89 1woi s PHE 38 Cb 0.11 -1.86 0.00 0.00 -0.34 0.00 0.00 43.02 40.93 1woi s PHE 38 CO -0.01 -0.74 0.74 -0.40 -1.46 0.00 0.00 175.22 173.36 1woi n ASP 39 N 4.45 0.05 0.00 6.13 5.68 -1.26 -0.14 116.55 131.46 1woi n ASP 39 Ca -0.20 -1.49 0.15 0.00 -0.50 0.00 0.00 54.79 52.74 1woi n ASP 39 Cb 0.50 -0.10 0.86 0.00 -1.14 0.00 0.00 41.12 41.25 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 -0.02 0.01 0.48 2.12 -5.35 -1.26 -3.45 119.36 111.89 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 0.59 -0.54 -0.04 0.00 -1.74 0.00 0.00 39.64 37.91 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 -1.03 3.44 -1.57 -1.28 0.00 -1.26 -4.96 120.51 113.85 1woi n ALA 41 Ca 0.21 -0.45 -0.32 0.00 0.00 0.00 0.00 53.44 52.89 1woi n ALA 41 Cb 0.11 -0.90 0.04 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.99 3.25 -0.14 0.00 0.05 -1.22 -2.62 118.68 114.00 1woi s LEU 42 Ca 0.02 1.72 0.16 0.00 0.05 0.00 0.00 54.13 56.07 1woi s LEU 42 Cb 0.14 -4.51 0.62 0.00 -2.05 0.00 0.00 46.19 40.39 1woi s LEU 42 CO 0.84 -1.41 1.53 0.61 -0.55 0.00 0.00 176.35 177.36 1woi n GLY 43 N -1.53 3.24 0.00 -3.48 0.00 -1.26 -4.93 105.19 97.22 1woi n GLY 43 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.39 0.00 -3.55 1.61 -0.00 -1.26 -5.11 117.46 109.54 1woi n PHE 44 Ca 0.23 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.28 1woi n PHE 44 Cb 0.89 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 40.26 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 0.92 3.59 0.97 -4.13 0.52 -1.26 -5.09 118.95 114.48 1woi s ARG 45 Ca 0.00 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.52 1woi s ARG 45 Cb 0.00 -3.76 0.17 0.00 0.52 0.00 0.00 34.95 31.88 1woi s ARG 45 CO 0.00 -0.38 1.10 -2.14 0.02 0.00 0.00 175.30 173.89 1woi s PRO 46 N 1.73 0.68 0.00 3.54 0.02 -1.26 -4.45 135.00 135.26 1woi s PRO 46 Ca 0.06 0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.65 1woi s PRO 46 Cb -0.17 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1woi s PRO 46 CO 0.10 -2.57 0.00 0.41 -0.33 0.00 0.00 177.00 174.61 1woi n GLY 47 N -1.18 1.10 0.32 0.52 0.00 -1.26 -4.94 105.19 99.75 1woi n GLY 47 Ca 0.06 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 1.14 0.00 4.61 0.00 -1.86 -1.20 119.26 121.96 1woi h ALA 48 Ca 0.00 -0.01 -0.00 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 0.01 -0.02 0.07 0.00 0.00 0.00 179.25 179.31 1woi h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.85 -0.38 114.38 112.25 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 0.02 -0.27 1.19 0.10 0.00 0.00 179.97 181.01 1woi n PHE 50 N -3.42 0.00 -0.12 4.08 3.72 -0.45 -4.42 117.46 116.84 1woi n PHE 50 Ca -0.03 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.29 1woi n PHE 50 Cb 0.12 -0.06 -0.00 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 3.90 0.50 -0.80 4.37 0.00 -1.20 -1.91 119.26 124.12 1woi h ALA 51 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1woi h ALA 51 Cb 0.62 -0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 1woi h ALA 51 CO 0.00 -0.03 0.41 -1.35 0.00 0.00 0.00 179.25 178.27 1woi h PRO 52 N 0.53 0.60 -0.26 0.00 0.11 -1.74 0.61 132.00 131.85 1woi h PRO 52 Ca 0.14 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.12 1woi h PRO 52 Cb -0.04 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.93 1woi h PRO 52 CO -0.03 0.40 -0.22 -0.09 -0.21 0.00 0.00 178.00 177.85 1woi h ARG 53 N 0.62 0.61 -0.78 1.05 2.43 -1.80 -1.88 114.38 114.62 1woi h ARG 53 Ca 0.42 -0.31 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 1woi h ARG 53 Cb 0.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1woi h ARG 53 CO -0.33 0.90 0.29 0.00 -1.51 0.00 0.00 179.97 179.32 1woi h ALA 54 N 0.70 1.03 -0.68 2.80 0.00 -0.51 -1.24 119.26 121.35 1woi h ALA 54 Ca 0.05 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1woi h ALA 54 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1woi h ALA 54 CO 0.06 0.67 0.12 -0.07 0.00 0.00 0.00 179.25 180.03 1woi h LEU 55 N 1.15 1.08 -0.36 0.00 3.38 0.27 0.56 115.31 121.39 1woi h LEU 55 Ca 0.26 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1woi h LEU 55 Cb 0.25 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1woi h LEU 55 CO -0.02 1.06 0.10 0.03 0.09 0.00 0.00 178.44 179.71 1woi h ARG 56 N 1.06 0.56 -0.30 1.13 3.08 -1.06 0.11 114.38 118.96 1woi h ARG 56 Ca 0.21 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1woi h ARG 56 Cb 0.43 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1woi h ARG 56 CO 0.01 0.59 0.16 0.93 -1.07 0.00 0.00 179.97 180.60 1woi h GLU 57 N 0.43 0.42 -0.06 0.04 5.08 -1.00 -2.55 114.58 116.93 1woi h GLU 57 Ca 0.11 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1woi h GLU 57 Cb 0.27 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1woi h GLU 57 CO -0.00 0.36 -0.16 0.00 -1.00 0.00 0.00 179.01 178.21 1woi h ALA 58 N 1.04 1.63 0.00 3.43 0.00 -0.72 -2.53 119.26 122.10 1woi h ALA 58 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1woi h ALA 58 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1woi h ALA 58 CO -0.02 0.27 0.00 0.66 0.00 0.00 0.00 179.25 180.16 1woi h SER 59 N 0.08 0.00 0.24 0.00 4.64 -0.53 -2.21 113.55 115.77 1woi h SER 59 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1woi h SER 59 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1woi h SER 59 CO 0.02 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.16 1woi n LEU 60 N -2.73 0.00 -0.21 5.97 4.77 -0.95 0.54 117.00 124.38 1woi n LEU 60 Ca 0.00 0.45 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 1woi n LEU 60 Cb 0.20 -0.45 0.13 0.00 -2.33 0.00 0.00 43.42 40.97 1woi n LEU 60 CO 0.21 -0.33 0.35 0.54 -1.33 0.00 0.00 177.39 176.83 1woi n ARG 61 N -1.45 0.57 -2.75 3.23 5.12 -0.83 -4.36 116.66 116.20 1woi n ARG 61 Ca 0.02 -0.42 -0.18 0.00 -1.93 0.00 0.00 57.85 55.34 1woi n ARG 61 Cb 0.09 -1.49 0.00 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 -0.85 2.67 -4.70 0.55 7.64 0.19 -5.08 113.62 114.03 1woi n SER 62 Ca 0.08 -3.19 -0.42 0.00 1.01 0.00 0.00 58.87 56.35 1woi n SER 62 Cb 0.37 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.85 4.86 0.72 0.44 1.01 -1.18 -4.85 120.40 117.55 1woi s VAL 63 Ca 0.38 1.95 -0.11 0.00 0.00 0.00 0.00 61.98 64.21 1woi s VAL 63 Cb 0.40 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.53 1woi s VAL 63 CO -0.07 0.11 1.07 -2.16 0.00 0.00 0.00 175.10 174.05 1woi s PRO 64 N 1.37 2.72 0.88 2.72 0.04 -1.26 -4.70 135.00 136.77 1woi s PRO 64 Ca 0.48 0.80 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 1woi s PRO 64 Cb -0.19 -1.98 0.13 0.00 0.04 0.00 0.00 34.50 32.49 1woi s PRO 64 CO 0.23 -1.21 1.20 -1.25 0.04 0.00 0.00 177.00 176.01 1woi s PRO 65 N -5.12 1.39 -0.14 0.56 0.04 -1.26 -5.12 135.00 125.35 1woi s PRO 65 Ca 0.59 0.02 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1woi s PRO 65 Cb -0.14 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1woi s PRO 65 CO 0.54 -1.98 -0.17 -0.06 0.04 0.00 0.00 177.00 175.38 1woi s PHE 66 N -3.57 2.30 -0.33 0.56 0.40 -0.78 -4.98 117.98 111.57 1woi s PHE 66 Ca 0.65 -1.24 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1woi s PHE 66 Cb -0.10 -1.64 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1woi s PHE 66 CO 0.51 -0.64 0.19 0.99 0.70 0.00 0.00 175.22 176.97 1woi s THR 67 N 1.23 4.74 0.76 0.64 2.01 -1.26 -0.81 115.64 122.95 1woi s THR 67 Ca 0.00 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 1woi s THR 67 Cb -0.14 -3.48 0.18 0.00 0.01 0.00 0.00 72.50 69.07 1woi s THR 67 CO -0.08 -0.03 0.93 0.61 -0.69 0.00 0.00 174.62 175.36 1woi n GLY 68 N 5.01 -1.73 0.33 4.40 0.00 -0.19 -4.86 105.19 108.15 1woi n GLY 68 Ca -0.13 -1.64 0.04 0.00 0.00 0.00 0.00 46.02 44.29 1woi n GLY 68 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1woi h LEU 69 N 0.00 0.57 0.00 0.99 5.85 -1.98 -0.68 115.31 120.07 1woi h LEU 69 Ca -0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1woi h LEU 69 Cb 0.88 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1woi h LEU 69 CO 0.22 0.41 0.00 -0.90 -0.34 0.00 0.00 178.44 177.82 1woi n ASP 70 N -4.46 0.00 0.00 1.25 5.68 -1.26 -4.87 116.55 112.89 1woi n ASP 70 Ca 0.06 0.49 0.00 0.00 -0.50 0.00 0.00 54.79 54.84 1woi n ASP 70 Cb 0.10 -0.50 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1woi n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1woi n GLY 71 N 0.21 0.94 3.82 6.12 0.00 -0.26 -5.05 105.19 110.97 1woi n GLY 71 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.58 4.20 -0.06 1.61 1.02 -1.26 -4.78 119.74 119.90 1woi s LYS 72 Ca 0.00 0.91 0.02 0.00 0.02 0.00 0.00 55.97 56.93 1woi s LYS 72 Cb 0.00 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 1woi s LYS 72 CO 0.00 0.20 -0.11 0.99 -0.92 0.00 0.00 175.35 175.52 1woi s THR 73 N -1.84 3.37 0.20 2.17 2.01 -1.26 -1.02 115.64 119.27 1woi s THR 73 Ca 0.52 -0.62 0.11 0.00 0.31 0.00 0.00 61.69 62.01 1woi s THR 73 Cb -0.13 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 1woi s THR 73 CO 0.18 0.59 -0.22 -0.13 -0.69 0.00 0.00 174.62 174.35 1woi s ARG 74 N -0.79 1.48 -1.27 4.92 0.52 0.01 -4.67 118.95 119.15 1woi s ARG 74 Ca 0.12 -1.54 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 1woi s ARG 74 Cb -0.11 -1.70 0.00 0.00 0.52 0.00 0.00 34.95 33.66 1woi s ARG 74 CO 0.01 0.35 0.00 1.28 0.02 0.00 0.00 175.30 176.97 1woi n LEU 75 N 0.12 -0.71 -4.69 2.53 4.77 -1.26 -1.87 117.00 115.89 1woi n LEU 75 Ca -0.11 0.30 -0.42 0.00 -0.03 0.00 0.00 56.01 55.74 1woi n LEU 75 Cb 0.57 -2.18 -0.03 0.00 -2.33 0.00 0.00 43.42 39.45 1woi n LEU 75 CO 0.31 -0.79 1.25 -1.58 -1.33 0.00 0.00 177.39 175.25 1woi s GLN 76 N -2.90 4.23 0.00 3.23 2.00 -1.26 -2.00 119.66 122.96 1woi s GLN 76 Ca 0.00 2.17 0.00 0.00 -2.00 0.00 0.00 55.36 55.53 1woi s GLN 76 Cb 0.00 -3.62 0.00 0.00 0.80 0.00 0.00 33.01 30.19 1woi s GLN 76 CO 0.00 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 174.52 1woi n GLY 77 N 3.86 1.65 3.63 2.59 0.00 -1.26 -4.98 105.19 110.68 1woi n GLY 77 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.51 4.43 0.38 1.61 1.01 -0.85 -5.01 120.40 118.46 1woi s VAL 78 Ca 0.00 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.35 1woi s VAL 78 Cb 0.00 -4.46 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 1woi s VAL 78 CO 0.00 -0.62 0.90 0.42 0.00 0.00 0.00 175.10 175.80 1woi s THR 79 N 3.85 4.41 0.24 3.92 -4.23 -1.26 -4.95 115.64 117.63 1woi s THR 79 Ca 0.46 1.46 0.08 0.00 -1.18 0.00 0.00 61.69 62.50 1woi s THR 79 Cb -0.11 -3.70 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 1woi s THR 79 CO 0.20 -0.18 -0.12 -0.36 -0.54 0.00 0.00 174.62 173.62 1woi s PHE 80 N -2.00 1.88 -0.03 3.99 0.40 -1.26 -1.29 117.98 119.67 1woi s PHE 80 Ca 0.57 -0.59 -0.25 0.00 -0.60 0.00 0.00 56.93 56.06 1woi s PHE 80 Cb -0.12 -0.95 0.05 0.00 0.51 0.00 0.00 43.02 42.52 1woi s PHE 80 CO 0.16 0.37 0.55 0.00 0.70 0.00 0.00 175.22 177.01 1woi s ALA 81 N -2.93 -1.43 -0.25 5.36 0.00 -0.56 -4.36 121.76 117.58 1woi s ALA 81 Ca 0.26 0.96 0.03 0.00 0.00 0.00 0.00 51.96 53.21 1woi s ALA 81 Cb 0.01 0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.23 1woi s ALA 81 CO 0.10 -0.35 -0.11 0.34 0.00 0.00 0.00 175.76 175.74 1woi s ASP 82 N -1.29 4.36 -0.02 0.00 -1.08 -0.01 -1.10 116.67 117.53 1woi s ASP 82 Ca -0.11 -1.35 0.04 0.00 -0.52 0.00 0.00 52.55 50.60 1woi s ASP 82 Cb -0.02 -1.53 0.16 0.00 -1.46 0.00 0.00 42.92 40.07 1woi s ASP 82 CO 0.07 -0.18 0.94 0.00 0.52 0.00 0.00 175.17 176.53 1woi n ALA 83 N 4.45 2.63 -0.46 3.66 0.00 0.18 -0.64 120.51 130.33 1woi n ALA 83 Ca -0.14 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1woi n ALA 83 Cb 0.42 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1woi n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woi n GLY 84 N 0.45 0.06 3.55 0.00 0.00 -1.26 -4.24 105.19 103.75 1woi n GLY 84 Ca 0.06 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.86 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 4.13 0.23 1.61 1.01 -1.26 -1.17 116.67 117.22 1woi s ASP 85 Ca 0.00 -0.60 -0.30 0.00 0.71 0.00 0.00 52.55 52.36 1woi s ASP 85 Cb 0.00 -0.66 -0.09 0.00 1.01 0.00 0.00 42.92 43.18 1woi s ASP 85 CO 0.00 0.12 1.32 -0.69 0.21 0.00 0.00 175.17 176.13 1woi s VAL 86 N -1.63 3.04 -0.58 -1.27 1.01 -0.51 -4.91 120.40 115.56 1woi s VAL 86 Ca 0.24 0.89 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 1woi s VAL 86 Cb -0.09 -3.57 0.03 0.00 0.00 0.00 0.00 36.38 32.75 1woi s VAL 86 CO 0.14 0.15 1.23 -0.63 0.00 0.00 0.00 175.10 175.99 1woi s ILE 87 N -0.16 3.98 0.16 2.22 1.01 -1.26 -4.80 121.20 122.36 1woi s ILE 87 Ca 0.55 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 62.04 1woi s ILE 87 Cb -0.38 -4.68 -0.05 0.00 0.01 0.00 0.00 42.46 37.36 1woi s ILE 87 CO 0.41 -1.31 0.39 -0.76 0.00 0.00 0.00 174.94 173.67 1woi s LEU 88 N 5.13 4.25 0.67 2.97 1.43 -1.26 -4.96 118.68 126.89 1woi s LEU 88 Ca 0.45 0.54 -0.02 0.00 -1.03 0.00 0.00 54.13 54.06 1woi s LEU 88 Cb -0.08 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.94 1woi s LEU 88 CO 0.25 0.02 0.94 -2.16 0.23 0.00 0.00 176.35 175.63 1woi s PRO 89 N -2.88 2.06 -0.00 1.29 0.04 -1.26 -5.06 135.00 129.20 1woi s PRO 89 Ca 0.40 -0.75 -0.20 0.00 0.04 0.00 0.00 61.00 60.50 1woi s PRO 89 Cb -0.12 -2.32 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 1woi s PRO 89 CO 0.26 -1.18 0.58 -1.12 0.04 0.00 0.00 177.00 175.58 1woi s SER 90 N -4.58 6.97 1.44 6.66 0.01 -1.26 -4.84 113.70 118.10 1woi s SER 90 Ca 0.62 1.15 0.00 0.00 1.31 0.00 0.00 55.95 59.03 1woi s SER 90 Cb -0.08 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1woi s SER 90 CO 0.43 0.12 0.00 0.18 0.41 0.00 0.00 173.24 174.38 1woi n LEU 91 N 2.62 0.00 -4.11 2.44 4.77 -1.26 -4.88 117.00 116.58 1woi n LEU 91 Ca -0.07 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.51 1woi n LEU 91 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 1woi n LEU 91 CO 0.43 0.00 -0.26 -0.62 -1.33 0.00 0.00 177.39 175.61 1woi n GLU 92 N 14.00 -0.72 -0.33 3.23 -0.58 -1.26 -4.74 120.64 130.24 1woi n GLU 92 Ca 0.00 0.13 0.13 0.00 -0.42 0.00 0.00 57.16 57.00 1woi n GLU 92 Cb 0.00 -3.09 0.32 0.00 -0.57 0.00 0.00 31.44 28.10 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 -2.29 0.61 -0.74 3.49 0.13 -1.95 -1.42 132.00 129.82 1woi h PRO 93 Ca -0.69 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.37 1woi h PRO 93 Cb 1.40 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1woi h PRO 93 CO 0.58 0.40 0.35 0.37 -0.23 0.00 0.00 178.00 179.47 1woi h GLN 94 N 0.63 1.07 -0.49 0.86 4.15 -1.99 0.78 115.11 120.12 1woi h GLN 94 Ca 0.57 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.71 1woi h GLN 94 Cb 0.96 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 1woi h GLN 94 CO -0.43 0.84 -0.15 1.25 -1.93 0.00 0.00 178.83 178.42 1woi h LEU 95 N 1.04 0.97 -0.42 -2.39 5.85 -1.68 -2.22 115.31 116.46 1woi h LEU 95 Ca 0.25 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1woi h LEU 95 Cb 0.13 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1woi h LEU 95 CO -0.03 1.12 0.24 0.00 -0.34 0.00 0.00 178.44 179.43 1woi h ALA 96 N 0.88 0.53 -0.52 1.25 0.00 -0.82 0.12 119.26 120.69 1woi h ALA 96 Ca 0.12 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1woi h ALA 96 Cb 0.71 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.33 1woi h ALA 96 CO 0.05 -0.10 0.16 0.45 0.00 0.00 0.00 179.25 179.82 1woi h HIS 97 N 0.48 0.27 -0.46 0.00 3.86 -0.63 0.13 115.15 118.81 1woi h HIS 97 Ca 0.17 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 1woi h HIS 97 Cb 0.03 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 1woi h HIS 97 CO -0.08 0.06 0.12 -0.44 0.86 0.00 0.00 177.93 178.45 1woi h ASP 98 N 0.32 0.69 -0.42 2.45 3.32 -0.79 -0.69 116.42 121.30 1woi h ASP 98 Ca 0.26 -0.22 0.05 0.00 0.02 0.00 0.00 57.03 57.13 1woi h ASP 98 Cb 0.32 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1woi h ASP 98 CO -0.29 0.73 0.17 0.03 -1.72 0.00 0.00 179.24 178.17 1woi h ARG 99 N 0.61 0.35 -0.07 3.56 2.47 -0.21 -2.03 114.38 119.06 1woi h ARG 99 Ca 0.15 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1woi h ARG 99 Cb 0.31 -0.08 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1woi h ARG 99 CO -0.00 0.23 0.04 0.82 0.56 0.00 0.00 179.97 181.62 1woi h ILE 100 N 0.36 1.08 -0.48 2.04 2.04 -0.48 -2.06 117.51 119.99 1woi h ILE 100 Ca 0.19 -0.21 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1woi h ILE 100 Cb 0.15 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1woi h ILE 100 CO -0.17 0.06 0.32 0.74 0.00 0.00 0.00 178.15 179.10 1woi h THR 101 N 0.04 1.12 -0.38 -0.27 2.02 -0.92 -0.69 112.91 113.83 1woi h THR 101 Ca 0.03 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1woi h THR 101 Cb 0.07 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1woi h THR 101 CO -0.00 0.12 0.10 -0.08 0.37 0.00 0.00 175.52 176.02 1woi h GLU 102 N 0.65 0.60 -0.71 6.66 4.57 -1.31 -1.24 114.58 123.80 1woi h GLU 102 Ca 0.18 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1woi h GLU 102 Cb -0.07 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1woi h GLU 102 CO -0.04 0.63 0.39 0.00 -1.18 0.00 0.00 179.01 178.80 1woi h ALA 103 N 0.95 0.90 -0.47 2.92 0.00 -1.22 -1.57 119.26 120.77 1woi h ALA 103 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1woi h ALA 103 Cb 0.29 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1woi h ALA 103 CO -0.00 0.42 0.28 0.00 0.00 0.00 0.00 179.25 179.94 1woi h ALA 104 N 1.20 0.60 -0.44 0.00 0.00 -0.86 -1.19 119.26 118.57 1woi h ALA 104 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1woi h ALA 104 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1woi h ALA 104 CO -0.04 -0.03 0.22 0.00 0.00 0.00 0.00 179.25 179.40 1woi h ARG 105 N 0.56 0.63 -0.54 0.00 3.08 -0.87 0.21 114.38 117.45 1woi h ARG 105 Ca 0.19 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1woi h ARG 105 Cb 0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 1woi h ARG 105 CO -0.09 0.53 0.34 1.96 -1.07 0.00 0.00 179.97 181.64 1woi h GLN 106 N 0.57 0.65 -0.49 0.04 4.20 -0.96 -1.38 115.11 117.75 1woi h GLN 106 Ca 0.15 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1woi h GLN 106 Cb 0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1woi h GLN 106 CO -0.02 0.43 -0.00 0.28 -0.67 0.00 0.00 178.83 178.85 1woi h VAL 107 N 0.67 1.26 -0.96 -0.54 2.07 -1.01 -2.90 116.25 114.85 1woi h VAL 107 Ca 0.21 -1.08 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1woi h VAL 107 Cb -0.01 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1woi h VAL 107 CO -0.08 0.38 0.62 0.03 0.02 0.00 0.00 177.57 178.54 1woi h ARG 108 N 0.73 1.09 0.00 1.57 2.47 -0.51 -1.58 114.38 118.14 1woi h ARG 108 Ca 0.14 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 1woi h ARG 108 Cb 0.52 -0.25 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1woi h ARG 108 CO 0.03 0.72 0.00 0.41 0.56 0.00 0.00 179.97 181.68 1woi n GLY 109 N -1.38 -0.85 0.00 0.04 0.00 -0.56 -3.26 105.19 99.18 1woi n GLY 109 Ca 0.15 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1woi n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1woi n ARG 110 N -1.06 -0.05 -4.18 1.61 1.74 -0.61 -5.06 116.66 109.05 1woi n ARG 110 Ca 0.18 -0.73 -0.15 0.00 -0.77 0.00 0.00 57.85 56.37 1woi n ARG 110 Cb 0.11 -1.00 -0.07 0.00 -1.02 0.00 0.00 32.46 30.48 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 -0.49 0.65 -3.90 0.00 0.63 -0.16 -4.87 116.66 108.52 1woi n ARG 112 Ca 0.03 0.31 -0.30 0.00 -0.92 0.00 0.00 57.85 56.98 1woi n ARG 112 Cb 0.63 -1.63 -0.16 0.00 0.45 0.00 0.00 32.46 31.76 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 -2.49 1.31 0.11 5.15 1.01 -0.06 -4.86 120.40 120.57 1woi s VAL 113 Ca -0.31 -1.02 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 1woi s VAL 113 Cb 0.09 -1.59 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 1woi s VAL 113 CO 0.62 -0.08 0.63 -2.16 0.00 0.00 0.00 175.10 174.11 1woi s PRO 114 N 1.51 4.27 -0.20 2.72 0.04 -1.26 -2.64 135.00 139.43 1woi s PRO 114 Ca -0.04 0.82 -0.00 0.00 0.04 0.00 0.00 61.00 61.82 1woi s PRO 114 Cb -0.18 -3.18 0.02 0.00 0.04 0.00 0.00 34.50 31.19 1woi s PRO 114 CO -0.07 0.59 -0.15 0.08 0.04 0.00 0.00 177.00 177.49 1woi s VAL 115 N -1.19 2.44 -0.21 -0.36 1.01 0.23 -2.10 120.40 120.22 1woi s VAL 115 Ca 0.32 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 1woi s VAL 115 Cb -0.20 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 1woi s VAL 115 CO 0.21 0.45 0.08 -0.36 0.00 0.00 0.00 175.10 175.48 1woi s PHE 116 N 1.33 3.20 -0.37 5.22 0.40 0.84 -1.19 117.98 127.41 1woi s PHE 116 Ca 0.04 -0.04 -0.10 0.00 -0.60 0.00 0.00 56.93 56.23 1woi s PHE 116 Cb -0.14 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.27 1woi s PHE 116 CO -0.10 -0.01 0.19 -0.51 0.70 0.00 0.00 175.22 175.49 1woi s LEU 117 N 0.85 4.66 0.91 -0.37 1.43 -0.05 -1.05 118.68 125.06 1woi s LEU 117 Ca 0.04 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 51.97 1woi s LEU 117 Cb -0.13 -1.99 0.20 0.00 0.03 0.00 0.00 46.19 44.30 1woi s LEU 117 CO 0.02 -0.38 1.25 -0.83 0.23 0.00 0.00 176.35 176.64 1woi s GLY 118 N 1.54 1.80 0.00 -3.19 0.00 -0.01 -0.09 107.32 107.36 1woi s GLY 118 Ca 0.01 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1woi s GLY 118 CO 0.06 -0.73 0.00 0.61 0.00 0.00 0.00 173.10 173.03 1woi n GLY 119 N -3.55 0.71 3.73 0.20 0.00 -0.60 -3.43 105.19 102.24 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 -0.74 2.73 0.20 1.61 1.47 0.80 -1.28 116.67 121.45 1woi s ASP 120 Ca 0.00 0.93 0.18 0.00 1.18 0.00 0.00 52.55 54.84 1woi s ASP 120 Cb 0.00 -1.45 0.83 0.00 -0.34 0.00 0.00 42.92 41.96 1woi s ASP 120 CO 0.00 -3.03 1.54 1.57 0.68 0.00 0.00 175.17 175.93 1woi n HIS 121 N -4.08 0.53 0.26 2.11 -0.00 -1.26 -2.66 115.22 110.11 1woi n HIS 121 Ca 0.08 0.24 0.11 0.00 -0.00 0.00 0.00 57.72 58.14 1woi n HIS 121 Cb 0.59 -0.88 0.70 0.00 -0.00 0.00 0.00 29.99 30.39 1woi n HIS 121 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1woi h SER 122 N 0.00 0.00 0.06 0.26 4.64 -1.80 -2.28 113.55 114.43 1woi h SER 122 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1woi h SER 122 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1woi h SER 122 CO 0.00 0.11 -0.02 -0.37 -0.87 0.00 0.00 176.83 175.68 1woi h VAL 123 N 0.00 0.52 -0.22 0.95 -1.51 -1.86 -2.24 116.25 111.89 1woi h VAL 123 Ca -0.00 -0.09 0.06 0.00 -1.23 0.00 0.00 66.70 65.44 1woi h VAL 123 Cb 0.26 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.47 1woi h VAL 123 CO 0.01 0.02 0.18 0.28 -1.23 0.00 0.00 177.57 176.83 1woi h SER 124 N 0.00 0.00 0.47 4.19 0.02 -1.65 -1.97 113.55 114.61 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 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1woi h SER 124 CO 0.00 0.00 -0.22 0.22 -1.14 0.00 0.00 176.83 175.69 1woi h TYR 125 N 0.00 -0.58 0.00 3.45 3.20 -1.60 -0.79 116.97 120.66 1woi h TYR 125 Ca 0.10 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1woi h TYR 125 Cb 0.46 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 1woi h TYR 125 CO 0.00 -0.36 -0.01 -1.00 -1.64 0.00 0.00 178.16 175.15 1woi h PRO 126 N -0.77 0.00 -0.19 1.82 0.13 -1.70 -1.43 132.00 129.85 1woi h PRO 126 Ca -0.06 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.00 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 0.11 0.01 -0.15 -0.07 -0.23 0.00 0.00 178.00 177.67 1woi h LEU 127 N 0.00 0.46 -1.53 1.56 4.07 -1.31 -3.08 115.31 115.49 1woi h LEU 127 Ca -0.00 -0.45 -0.05 0.00 0.08 0.00 0.00 57.88 57.46 1woi h LEU 127 Cb 0.03 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1woi h LEU 127 CO 0.00 0.81 -0.24 -0.07 -1.08 0.00 0.00 178.44 177.87 1woi h LEU 128 N 0.10 0.00 -2.59 1.67 3.38 -0.09 -1.88 115.31 115.91 1woi h LEU 128 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1woi h LEU 128 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1woi h LEU 128 CO 0.04 0.24 0.00 0.03 0.09 0.00 0.00 178.44 178.84 1woi h ARG 129 N 0.00 0.00 0.00 1.13 3.08 -1.30 0.13 114.38 117.41 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1woi h ARG 129 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 1woi n ALA 130 N -2.05 2.37 -1.23 0.04 0.00 -0.71 -3.05 120.51 115.87 1woi n ALA 130 Ca -0.02 -0.13 0.03 0.00 0.00 0.00 0.00 53.44 53.32 1woi n ALA 130 Cb 0.11 -1.44 0.21 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.25 0.79 0.28 0.00 3.01 0.44 -4.68 117.46 116.05 1woi n PHE 131 Ca 0.14 -1.23 0.15 0.00 1.01 0.00 0.00 57.45 57.52 1woi n PHE 131 Cb 0.20 -0.36 0.72 0.00 -0.01 0.00 0.00 39.48 40.03 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 1.14 1.00 -0.65 4.37 0.00 -1.64 -2.15 119.26 121.32 1woi h ALA 132 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1woi h ALA 132 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1woi h ALA 132 CO 0.24 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.09 1woi n ASP 133 N -2.56 3.57 -4.59 0.00 3.85 -1.26 -4.87 116.55 110.69 1woi n ASP 133 Ca -0.01 -2.04 -0.38 0.00 -0.71 0.00 0.00 54.79 51.65 1woi n ASP 133 Cb 0.13 -0.45 -0.11 0.00 -1.35 0.00 0.00 41.12 39.35 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 -1.20 5.30 0.30 2.12 1.01 -0.81 -5.07 120.40 122.06 1woi s VAL 134 Ca 0.44 0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.30 1woi s VAL 134 Cb 0.23 -3.55 -0.10 0.00 0.00 0.00 0.00 36.38 32.96 1woi s VAL 134 CO 0.29 0.23 1.22 -2.16 0.00 0.00 0.00 175.10 174.68 1woi s PRO 135 N 1.78 4.47 -1.34 2.72 0.04 -1.26 -3.70 135.00 137.71 1woi s PRO 135 Ca 0.08 2.05 -0.10 0.00 0.04 0.00 0.00 61.00 63.06 1woi s PRO 135 Cb -0.16 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.26 1woi s PRO 135 CO 0.11 -0.03 0.47 -0.25 0.04 0.00 0.00 177.00 177.34 1woi n ASP 136 N 1.06 -1.79 -4.69 6.66 8.00 -1.23 -4.72 116.55 119.84 1woi n ASP 136 Ca -0.00 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 53.98 1woi n ASP 136 Cb 0.43 -2.69 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 1woi n ASP 136 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1woi s LEU 137 N -7.00 4.35 -0.00 0.64 2.96 0.55 -4.34 118.68 115.84 1woi s LEU 137 Ca 0.18 2.34 0.03 0.00 -0.22 0.00 0.00 54.13 56.46 1woi s LEU 137 Cb -0.08 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 1woi s LEU 137 CO 0.91 -0.82 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.06 1woi s HIS 138 N 2.53 2.89 -0.13 5.38 3.76 -0.10 -2.01 115.29 127.61 1woi s HIS 138 Ca 0.70 -0.03 0.02 0.00 -0.15 0.00 0.00 55.06 55.60 1woi s HIS 138 Cb -0.36 -1.62 0.01 0.00 1.11 0.00 0.00 32.58 31.72 1woi s HIS 138 CO 0.30 0.37 -0.21 0.08 -0.85 0.00 0.00 174.74 174.43 1woi s VAL 139 N -0.98 1.99 -0.39 -0.90 1.01 -0.28 -1.09 120.40 119.76 1woi s VAL 139 Ca 0.17 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.11 1woi s VAL 139 Cb -0.11 -1.76 0.04 0.00 0.00 0.00 0.00 36.38 34.55 1woi s VAL 139 CO 0.07 0.54 0.22 -0.69 0.00 0.00 0.00 175.10 175.23 1woi s VAL 140 N 0.83 4.46 -0.21 2.92 1.01 -0.65 -0.47 120.40 128.27 1woi s VAL 140 Ca -0.07 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1woi s VAL 140 Cb -0.15 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1woi s VAL 140 CO -0.02 -0.31 -0.02 -1.58 0.00 0.00 0.00 175.10 173.17 1woi s GLN 141 N 1.52 3.48 -0.23 2.72 0.74 0.04 -1.49 119.66 126.43 1woi s GLN 141 Ca 0.02 -0.58 -0.14 0.00 0.05 0.00 0.00 55.36 54.71 1woi s GLN 141 Cb -0.20 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.83 1woi s GLN 141 CO 0.05 -0.10 0.32 -0.51 -0.55 0.00 0.00 175.29 174.50 1woi s LEU 142 N 1.27 4.10 -0.15 3.68 1.43 -0.31 -0.69 118.68 128.01 1woi s LEU 142 Ca 0.03 0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 1woi s LEU 142 Cb -0.14 -2.37 0.13 0.00 0.03 0.00 0.00 46.19 43.84 1woi s LEU 142 CO -0.00 -0.07 1.01 -0.62 0.23 0.00 0.00 176.35 176.90 1woi s ASP 143 N 1.25 -0.34 0.31 2.29 -1.08 -0.87 -1.34 116.67 116.89 1woi s ASP 143 Ca 0.14 0.33 0.23 0.00 -0.52 0.00 0.00 52.55 52.73 1woi s ASP 143 Cb -0.15 0.29 0.19 0.00 -1.46 0.00 0.00 42.92 41.79 1woi s ASP 143 CO 0.08 -0.35 1.34 0.00 0.52 0.00 0.00 175.17 176.76 1woi h ALA 144 N 2.46 0.75 -3.20 3.66 0.00 -1.73 -2.77 119.26 118.42 1woi h ALA 144 Ca -0.18 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.08 1woi h ALA 144 Cb 1.17 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 1woi h ALA 144 CO 0.30 0.00 -0.82 -1.01 0.00 0.00 0.00 179.25 177.72 1woi s HIS 145 N -3.28 2.32 0.11 0.00 3.76 -1.26 -2.00 115.29 114.94 1woi s HIS 145 Ca 0.04 -0.35 -0.09 0.00 -0.15 0.00 0.00 55.06 54.50 1woi s HIS 145 Cb 0.08 -1.15 -0.13 0.00 1.11 0.00 0.00 32.58 32.49 1woi s HIS 145 CO 0.73 0.50 1.29 1.25 -0.85 0.00 0.00 174.74 177.65 1woi h LEU 146 N 3.20 0.77 -1.80 0.89 5.85 -1.96 -3.48 115.31 118.78 1woi h LEU 146 Ca -0.46 -0.56 -0.44 0.00 0.84 0.00 0.00 57.88 57.25 1woi h LEU 146 Cb 1.21 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 42.03 1woi h LEU 146 CO 0.48 1.35 -0.84 0.47 -0.34 0.00 0.00 178.44 179.56 1woi n ASP 147 N -3.85 -0.96 -0.46 1.25 8.00 -1.26 -4.88 116.55 114.39 1woi n ASP 147 Ca -0.08 -0.87 0.07 0.00 0.71 0.00 0.00 54.79 54.62 1woi n ASP 147 Cb 0.80 -3.79 0.13 0.00 -0.02 0.00 0.00 41.12 38.24 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 -4.31 0.00 -2.47 1.24 7.35 -1.07 -3.09 117.46 115.11 1woi n PHE 148 Ca -0.30 -0.94 -0.39 0.00 -0.76 0.00 0.00 57.45 55.06 1woi n PHE 148 Cb 0.68 -0.17 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 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 -2.22 3.50 -0.05 -2.13 2.01 -0.57 -4.56 115.64 111.62 1woi s THR 149 Ca 0.29 1.37 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 1woi s THR 149 Cb 0.28 -3.82 -0.00 0.00 0.01 0.00 0.00 72.50 68.96 1woi s THR 149 CO -0.03 0.22 0.05 -0.78 -0.69 0.00 0.00 174.62 173.40 1woi h ASP 150 N 3.28 -0.03 -4.25 3.53 3.58 -1.93 -3.36 116.42 117.25 1woi h ASP 150 Ca -0.47 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.42 1woi h ASP 150 Cb 1.22 0.01 -0.30 0.00 1.72 0.00 0.00 39.33 41.97 1woi h ASP 150 CO 0.65 0.25 -0.84 -0.89 -2.88 0.00 0.00 179.24 175.53 1woi s THR 151 N -1.44 1.42 -0.07 2.25 2.01 -1.26 -4.59 115.64 113.95 1woi s THR 151 Ca -0.00 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.20 1woi s THR 151 Cb 0.00 -1.19 0.03 0.00 0.01 0.00 0.00 72.50 71.36 1woi s THR 151 CO 0.01 0.40 0.17 -0.60 -0.69 0.00 0.00 174.62 173.91 1woi s ARG 152 N -0.33 0.13 -1.49 4.92 3.52 -0.93 -4.89 118.95 119.88 1woi s ARG 152 Ca 0.05 0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.99 1woi s ARG 152 Cb -0.08 -0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.23 1woi s ARG 152 CO -0.00 -0.13 0.33 0.09 -0.81 0.00 0.00 175.30 174.78 1woi n ASN 153 N 3.94 -0.26 -3.62 -2.12 4.13 -1.26 -1.83 115.26 114.24 1woi n ASN 153 Ca -0.23 -1.09 -0.27 0.00 1.68 0.00 0.00 54.58 54.67 1woi n ASN 153 Cb 0.54 -2.55 0.04 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 -2.91 -5.29 -3.72 6.41 8.00 -1.26 -4.99 116.55 112.79 1woi n ASP 154 Ca -0.27 -0.59 -0.12 0.00 0.71 0.00 0.00 54.79 54.52 1woi n ASP 154 Cb 0.67 -4.23 -0.07 0.00 -0.02 0.00 0.00 41.12 37.47 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 -3.24 0.07 -0.80 -3.53 -1.32 -0.76 -5.03 115.64 101.04 1woi s THR 155 Ca 0.56 -0.62 0.18 0.00 -1.21 0.00 0.00 61.69 60.60 1woi s THR 155 Cb -0.27 -0.98 -0.20 0.00 -1.51 0.00 0.00 72.50 69.54 1woi s THR 155 CO 0.69 -0.34 0.74 0.29 -2.21 0.00 0.00 174.62 173.79 1woi n LYS 156 N 0.46 1.00 -0.79 7.08 4.76 -1.26 -2.18 118.16 127.23 1woi n LYS 156 Ca -0.18 -0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.32 1woi n LYS 156 Cb 0.60 -1.36 0.38 0.00 -1.84 0.00 0.00 35.03 32.81 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 -1.47 1.82 -1.50 2.13 5.03 -1.26 -4.77 117.44 117.42 1woi n TRP 157 Ca 0.03 -0.74 -0.30 0.00 3.03 0.00 0.00 57.50 59.52 1woi n TRP 157 Cb 0.29 -0.45 0.10 0.00 -1.03 0.00 0.00 31.31 30.23 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 -0.99 4.27 0.00 -0.99 1.04 -1.26 -4.85 113.70 110.92 1woi s SER 158 Ca 0.52 1.32 0.12 0.00 0.48 0.00 0.00 55.95 58.39 1woi s SER 158 Cb 0.39 -2.03 0.69 0.00 0.10 0.00 0.00 66.02 65.17 1woi s SER 158 CO 0.16 -2.11 1.23 -0.46 0.98 0.00 0.00 173.24 173.04 1woi n ASN 159 N -3.52 0.00 -0.23 7.02 6.94 -1.08 -1.99 115.26 122.40 1woi n ASN 159 Ca 0.07 -0.17 0.13 0.00 -0.02 0.00 0.00 54.58 54.59 1woi n ASN 159 Cb 0.56 -0.13 0.34 0.00 -2.36 0.00 0.00 39.78 38.20 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 -1.13 1.01 -0.07 0.53 7.64 -1.26 -4.38 113.62 115.96 1woi n SER 160 Ca 0.08 -0.85 0.01 0.00 1.01 0.00 0.00 58.87 59.12 1woi n SER 160 Cb 0.07 0.17 0.01 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 -0.72 1.34 -0.23 6.43 7.64 -0.84 -1.52 113.62 125.72 1woi n SER 161 Ca 0.11 -1.25 -0.03 0.00 1.01 0.00 0.00 58.87 58.71 1woi n SER 161 Cb 0.35 -0.01 0.03 0.00 -1.01 0.00 0.00 64.21 63.58 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 0.32 -0.10 0.00 1.43 0.13 -1.70 0.49 132.00 132.58 1woi h PRO 162 Ca 0.00 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 65.06 1woi h PRO 162 Cb 0.16 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1woi h PRO 162 CO 0.00 -0.06 -0.37 0.74 -0.23 0.00 0.00 178.00 178.08 1woi h PHE 163 N -0.10 0.00 0.00 1.56 -1.00 -1.88 0.00 116.94 115.53 1woi h PHE 163 Ca 0.28 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 61.06 1woi h PHE 163 Cb 0.54 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1woi h PHE 163 CO -0.63 0.37 -0.00 -0.09 -1.61 0.00 0.00 178.31 176.35 1woi h ARG 164 N 0.00 -0.00 -0.98 1.51 9.65 -1.39 -1.06 114.38 122.12 1woi h ARG 164 Ca -0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 1woi h ARG 164 Cb 0.87 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.40 1woi h ARG 164 CO 0.05 0.44 0.65 0.00 2.80 0.00 0.00 179.97 183.91 1woi h ARG 165 N -0.45 1.27 -0.36 0.20 2.47 -0.76 -2.70 114.38 114.06 1woi h ARG 165 Ca -0.00 -0.08 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1woi h ARG 165 Cb 0.45 -0.29 -0.01 0.00 -1.65 0.00 0.00 29.97 28.47 1woi h ARG 165 CO 0.00 0.84 -0.08 0.00 0.56 0.00 0.00 179.97 181.29 1woi h ALA 166 N 1.40 0.49 -0.64 0.04 0.00 -0.91 -2.81 119.26 116.84 1woi h ALA 166 Ca 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1woi h ALA 166 Cb -0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1woi h ALA 166 CO -0.09 0.34 0.23 0.00 0.00 0.00 0.00 179.25 179.73 1woi n GLU 168 N -4.40 0.11 -0.00 0.00 0.28 -1.04 -2.67 120.64 112.91 1woi n GLU 168 Ca 0.04 0.24 0.08 0.00 -0.16 0.00 0.00 57.16 57.36 1woi n GLU 168 Cb 0.19 -1.66 -0.11 0.00 1.43 0.00 0.00 31.44 31.28 1woi n GLU 168 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1woi n ALA 169 N -1.63 3.18 -3.66 -1.84 0.00 -0.91 -4.79 120.51 110.86 1woi n ALA 169 Ca 0.04 -0.42 -0.28 0.00 0.00 0.00 0.00 53.44 52.78 1woi n ALA 169 Cb 0.27 -0.57 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.62 2.81 0.44 0.00 1.43 0.93 -4.95 118.68 115.73 1woi s LEU 170 Ca -0.01 -3.05 0.30 0.00 -1.03 0.00 0.00 54.13 50.34 1woi s LEU 170 Cb 0.11 -0.99 1.59 0.00 0.03 0.00 0.00 46.19 46.93 1woi s LEU 170 CO 0.68 -0.19 1.92 1.55 0.23 0.00 0.00 176.35 180.54 1woi h PRO 171 N 6.09 0.00 0.00 1.29 0.13 -1.85 0.42 132.00 138.08 1woi h PRO 171 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1woi h PRO 171 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 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 -2.58 0.09 -4.48 1.44 6.94 -1.26 -4.22 115.26 111.18 1woi n ASN 172 Ca -0.02 0.51 -0.43 0.00 -0.02 0.00 0.00 54.58 54.63 1woi n ASN 172 Cb 0.08 -0.54 -0.03 0.00 -2.36 0.00 0.00 39.78 36.94 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 -3.18 4.61 0.00 -4.53 0.20 0.14 -0.33 118.68 115.59 1woi s LEU 173 Ca 0.10 -1.90 0.28 0.00 0.69 0.00 0.00 54.13 53.30 1woi s LEU 173 Cb 0.14 -2.45 1.02 0.00 -0.43 0.00 0.00 46.19 44.47 1woi s LEU 173 CO 0.40 -1.18 1.77 1.33 -0.29 0.00 0.00 176.35 178.37 1woi n VAL 174 N 5.88 0.00 -3.62 1.68 0.24 -0.85 -4.93 118.33 116.73 1woi n VAL 174 Ca 0.27 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.47 1woi n VAL 174 Cb 0.49 -0.21 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 1woi n VAL 174 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 1woi s HIS 175 N -2.90 -0.42 -0.04 6.34 5.65 -1.23 -4.93 115.29 117.75 1woi s HIS 175 Ca 0.16 0.93 0.03 0.00 0.25 0.00 0.00 55.06 56.43 1woi s HIS 175 Cb 0.19 0.40 0.01 0.00 -1.18 0.00 0.00 32.58 31.99 1woi s HIS 175 CO 0.57 -0.26 -0.11 0.42 -0.65 0.00 0.00 174.74 174.71 1woi s ILE 176 N -0.25 0.97 -0.28 0.89 1.01 -1.26 -1.13 121.20 121.16 1woi s ILE 176 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1woi s ILE 176 Cb -0.03 -0.88 0.05 0.00 0.01 0.00 0.00 42.46 41.61 1woi s ILE 176 CO -0.04 0.30 -0.04 -0.89 0.00 0.00 0.00 174.94 174.27 1woi s THR 177 N 0.38 2.71 -0.20 2.92 2.01 0.38 -1.11 115.64 122.73 1woi s THR 177 Ca -0.08 -1.41 -0.07 0.00 0.31 0.00 0.00 61.69 60.44 1woi s THR 177 Cb -0.12 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1woi s THR 177 CO 0.02 -0.04 0.06 -0.89 -0.69 0.00 0.00 174.62 173.08 1woi s THR 178 N 1.22 4.68 -0.05 -0.82 2.01 -0.46 -0.78 115.64 121.43 1woi s THR 178 Ca -0.06 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1woi s THR 178 Cb -0.19 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1woi s THR 178 CO -0.03 0.43 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.48 1woi s VAL 179 N 0.63 1.43 0.00 3.82 1.01 0.13 -0.66 120.40 126.77 1woi s VAL 179 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1woi s VAL 179 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.00 1woi s VAL 179 CO 0.02 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1woi n GLY 180 N 3.33 0.93 3.70 4.51 0.00 -0.40 -2.05 105.19 115.21 1woi n GLY 180 Ca -0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.39 1woi n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woi n LEU 181 N 0.00 3.57 -3.71 0.99 4.77 -1.05 -4.08 117.00 117.49 1woi n LEU 181 Ca 0.00 1.14 -0.05 0.00 -0.03 0.00 0.00 56.01 57.07 1woi n LEU 181 Cb 0.00 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.58 1woi n LEU 181 CO 0.00 -0.24 0.68 0.00 -1.33 0.00 0.00 177.39 176.50 1woi s ARG 182 N -0.35 1.20 0.00 3.23 1.70 -0.85 -0.45 118.95 123.43 1woi s ARG 182 Ca 0.67 -0.63 0.00 0.00 -0.47 0.00 0.00 55.73 55.31 1woi s ARG 182 Cb -0.59 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.22 1woi s ARG 182 CO 0.48 -0.54 0.00 0.41 -1.08 0.00 0.00 175.30 174.57 1woi n GLY 183 N -0.43 2.98 0.13 3.88 0.00 -1.26 -4.71 105.19 105.78 1woi n GLY 183 Ca -0.07 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 44.08 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 -8.42 0.99 3.38 -2.02 -3.46 115.31 105.78 1woi h LEU 184 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 1woi h LEU 184 Cb 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.44 1woi h LEU 184 CO 0.00 0.24 -0.87 -0.60 0.09 0.00 0.00 178.44 177.30 1woi s ARG 185 N -3.16 2.20 0.00 1.13 3.52 -1.26 -5.12 118.95 116.26 1woi s ARG 185 Ca 0.00 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.81 1woi s ARG 185 Cb 0.08 -1.92 -0.00 0.00 -1.56 0.00 0.00 34.95 31.55 1woi s ARG 185 CO 0.77 0.37 -0.03 -0.06 -0.81 0.00 0.00 175.30 175.54 1woi s PHE 186 N -0.19 0.29 -0.54 5.12 0.40 -1.26 -5.08 117.98 116.73 1woi s PHE 186 Ca -0.01 -0.11 -0.28 0.00 -0.60 0.00 0.00 56.93 55.93 1woi s PHE 186 Cb -0.12 -0.19 0.02 0.00 0.51 0.00 0.00 43.02 43.24 1woi s PHE 186 CO 0.02 -0.02 1.34 0.34 0.70 0.00 0.00 175.22 177.60 1woi s ASP 187 N -0.27 6.27 0.31 1.36 -1.08 -1.26 -4.89 116.67 117.12 1woi s ASP 187 Ca -0.01 0.33 0.05 0.00 -0.52 0.00 0.00 52.55 52.40 1woi s ASP 187 Cb -0.02 -2.55 0.68 0.00 -1.46 0.00 0.00 42.92 39.57 1woi s ASP 187 CO -0.00 -1.59 1.84 1.55 0.52 0.00 0.00 175.17 177.50 1woi h PRO 188 N 10.51 0.82 0.19 4.34 0.13 -1.99 0.16 132.00 146.16 1woi h PRO 188 Ca -0.26 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1woi h PRO 188 Cb 1.08 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1woi h PRO 188 CO 1.16 0.54 -0.09 1.49 -0.23 0.00 0.00 178.00 180.88 1woi h GLU 189 N 0.85 -0.24 -0.39 0.86 4.22 -1.99 -0.89 114.58 117.00 1woi h GLU 189 Ca 0.49 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.98 1woi h GLU 189 Cb 0.63 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1woi h GLU 189 CO -0.25 -0.03 0.17 0.00 -2.18 0.00 0.00 179.01 176.72 1woi h ALA 190 N 0.36 0.47 -0.87 2.92 0.00 -1.59 -0.23 119.26 120.32 1woi h ALA 190 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1woi h ALA 190 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1woi h ALA 190 CO 0.04 -0.20 0.55 0.28 0.00 0.00 0.00 179.25 179.92 1woi h VAL 191 N 0.35 1.11 -0.11 0.00 2.07 -0.60 -1.14 116.25 117.93 1woi h VAL 191 Ca 0.17 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1woi h VAL 191 Cb 0.11 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1woi h VAL 191 CO -0.14 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.63 1woi h ALA 192 N 1.37 0.15 -0.63 1.67 0.00 -0.58 -1.88 119.26 119.37 1woi h ALA 192 Ca 0.36 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1woi h ALA 192 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1woi h ALA 192 CO -0.13 -0.14 0.41 0.00 0.00 0.00 0.00 179.25 179.39 1woi h ALA 193 N 0.72 1.76 -0.08 0.00 0.00 -0.76 0.06 119.26 120.95 1woi h ALA 193 Ca 0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1woi h ALA 193 Cb 0.40 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1woi h ALA 193 CO 0.01 0.14 -0.15 0.00 0.00 0.00 0.00 179.25 179.25 1woi h ALA 194 N 1.65 0.13 -0.42 0.00 0.00 -1.07 -2.97 119.26 116.59 1woi h ALA 194 Ca 0.27 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1woi h ALA 194 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1woi h ALA 194 CO -0.08 0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.25 1woi h ARG 195 N -0.21 0.65 -0.60 0.00 3.08 -0.87 -1.80 114.38 114.64 1woi h ARG 195 Ca 0.01 -0.14 0.02 0.00 0.07 0.00 0.00 59.98 59.94 1woi h ARG 195 Cb 0.72 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1woi h ARG 195 CO 0.03 0.63 0.38 0.00 -1.07 0.00 0.00 179.97 179.95 1woi h ALA 196 N 1.43 0.76 0.00 0.04 0.00 -1.01 -0.47 119.26 120.02 1woi h ALA 196 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1woi h ALA 196 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1woi h ALA 196 CO 0.01 0.15 0.00 0.54 0.00 0.00 0.00 179.25 179.94 1woi n ARG 197 N -4.70 0.61 -0.87 0.00 1.74 -1.02 -4.87 116.66 107.55 1woi n ARG 197 Ca 0.05 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1woi n ARG 197 Cb 0.05 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 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 0.55 0.51 3.76 -0.13 0.00 -0.18 -4.92 105.19 104.77 1woi n GLY 198 Ca 0.16 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 2.64 -0.22 1.61 3.76 -0.71 -4.86 115.29 115.51 1woi s HIS 199 Ca 0.00 1.50 -0.15 0.00 -0.15 0.00 0.00 55.06 56.25 1woi s HIS 199 Cb 0.00 -3.48 -0.04 0.00 1.11 0.00 0.00 32.58 30.17 1woi s HIS 199 CO 0.00 -1.94 0.38 0.99 -0.85 0.00 0.00 174.74 173.32 1woi s THR 200 N -1.52 5.20 -0.25 1.30 2.01 -0.27 -4.59 115.64 117.52 1woi s THR 200 Ca 0.69 0.65 -0.06 0.00 0.31 0.00 0.00 61.69 63.28 1woi s THR 200 Cb -0.31 -3.71 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 1woi s THR 200 CO 0.36 0.23 0.03 -0.63 -0.69 0.00 0.00 174.62 173.92 1woi s ILE 201 N 1.52 3.82 -0.32 1.82 1.01 -1.26 -1.35 121.20 126.43 1woi s ILE 201 Ca 0.17 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1woi s ILE 201 Cb -0.15 -2.82 0.09 0.00 0.01 0.00 0.00 42.46 39.59 1woi s ILE 201 CO 0.08 0.30 0.03 -0.63 0.00 0.00 0.00 174.94 174.73 1woi s ILE 202 N 1.52 2.04 0.73 2.92 1.01 0.17 -4.99 121.20 124.60 1woi s ILE 202 Ca 0.05 -2.09 -0.14 0.00 0.00 0.00 0.00 60.65 58.48 1woi s ILE 202 Cb -0.15 -2.46 0.04 0.00 0.01 0.00 0.00 42.46 39.89 1woi s ILE 202 CO 0.00 -0.52 1.14 -2.84 0.00 0.00 0.00 174.94 172.72 1woi s PRO 203 N 1.04 2.28 0.49 2.79 0.02 -1.26 -1.27 135.00 139.09 1woi s PRO 203 Ca 0.08 1.48 0.19 0.00 0.02 0.00 0.00 61.00 62.77 1woi s PRO 203 Cb -0.19 -1.88 1.23 0.00 0.02 0.00 0.00 34.50 33.68 1woi s PRO 203 CO -0.10 -1.67 2.02 1.98 -0.33 0.00 0.00 177.00 178.90 1woi h MET 204 N -0.52 0.15 -0.84 5.54 1.85 -0.91 -0.74 114.93 119.47 1woi h MET 204 Ca -0.46 -0.01 0.12 0.00 -0.61 0.00 0.00 59.70 58.74 1woi h MET 204 Cb 1.26 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 33.19 1woi h MET 204 CO 0.51 0.10 0.55 -0.44 -0.40 0.00 0.00 176.91 177.23 1woi h ASP 205 N 0.16 0.67 -0.48 1.39 3.32 -1.91 -0.80 116.42 118.78 1woi h ASP 205 Ca 0.22 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1woi h ASP 205 Cb 0.64 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1woi h ASP 205 CO -0.03 0.38 -0.09 0.44 -1.72 0.00 0.00 179.24 178.22 1woi h ASP 206 N 0.73 0.94 -0.35 6.45 5.19 -1.48 0.15 116.42 128.05 1woi h ASP 206 Ca 0.40 -0.29 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1woi h ASP 206 Cb 0.55 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 1woi h ASP 206 CO -0.17 1.04 0.05 0.58 -3.12 0.00 0.00 179.24 177.62 1woi h VAL 207 N 0.85 1.24 0.02 -1.35 2.07 -1.21 0.12 116.25 117.98 1woi h VAL 207 Ca 0.14 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1woi h VAL 207 Cb 0.62 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1woi h VAL 207 CO 0.04 0.29 -0.01 0.74 0.02 0.00 0.00 177.57 178.65 1woi h THR 208 N 0.42 1.15 -0.14 2.57 2.02 -1.06 -2.62 112.91 115.24 1woi h THR 208 Ca 0.11 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1woi h THR 208 Cb 0.38 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1woi h THR 208 CO 0.01 0.13 0.07 0.00 0.37 0.00 0.00 175.52 176.09 1woi h ALA 209 N 0.75 0.18 -1.23 6.16 0.00 -0.64 -3.42 119.26 121.06 1woi h ALA 209 Ca -0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1woi h ALA 209 Cb 0.22 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.74 1woi h ALA 209 CO 0.00 -0.25 -0.52 0.34 0.00 0.00 0.00 179.25 178.83 1woi s ASP 210 N -5.49 -0.88 0.16 0.00 2.15 0.41 -5.01 116.67 108.00 1woi s ASP 210 Ca -0.14 -1.10 -0.15 0.00 0.43 0.00 0.00 52.55 51.59 1woi s ASP 210 Cb 0.07 1.61 0.04 0.00 -0.30 0.00 0.00 42.92 44.34 1woi s ASP 210 CO 0.69 -0.18 1.81 0.25 -0.17 0.00 0.00 175.17 177.57 1woi h LEU 211 N 6.79 0.43 -1.34 -1.34 7.12 -1.58 -2.04 115.31 123.35 1woi h LEU 211 Ca 0.06 -0.00 0.21 0.00 0.13 0.00 0.00 57.88 58.27 1woi h LEU 211 Cb 1.14 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 41.10 1woi h LEU 211 CO 0.12 0.31 0.62 0.00 -0.13 0.00 0.00 178.44 179.35 1woi h ALA 212 N 1.18 2.05 -0.23 1.25 0.00 -1.92 0.28 119.26 121.87 1woi h ALA 212 Ca 0.17 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 1woi h ALA 212 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1woi h ALA 212 CO -0.06 -0.37 -0.42 0.78 0.00 0.00 0.00 179.25 179.17 1woi h GLY 213 N 0.52 0.61 0.96 0.00 0.00 -1.74 -2.73 103.07 100.68 1woi h GLY 213 Ca 0.52 -0.62 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1woi h GLY 213 CO -0.25 0.56 0.05 -2.08 0.00 0.00 0.00 176.54 174.82 1woi h VAL 214 N 0.45 1.25 -0.00 4.60 2.07 -0.22 -2.78 116.25 121.63 1woi h VAL 214 Ca 0.04 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.58 1woi h VAL 214 Cb 0.93 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1woi h VAL 214 CO 0.08 0.33 -0.17 -0.07 0.02 0.00 0.00 177.57 177.75 1woi h LEU 215 N 0.60 0.01 -0.57 2.57 3.38 -1.13 -0.71 115.31 119.47 1woi h LEU 215 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1woi h LEU 215 Cb 0.42 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1woi h LEU 215 CO 0.01 0.18 0.00 0.00 0.09 0.00 0.00 178.44 178.72 1woi n ALA 216 N -2.51 1.77 1.25 1.53 0.00 -1.04 -2.27 120.51 119.24 1woi n ALA 216 Ca -0.02 0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1woi n ALA 216 Cb 0.24 -1.40 0.34 0.00 0.00 0.00 0.00 19.45 18.63 1woi n ALA 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1woi n GLN 217 N -2.23 1.15 -2.27 0.00 6.02 -0.27 -4.93 117.38 114.84 1woi n GLN 217 Ca 0.03 -0.74 -0.32 0.00 -0.01 0.00 0.00 57.00 55.95 1woi n GLN 217 Cb 0.27 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 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 -2.37 3.59 0.87 1.08 1.43 -0.96 -5.03 118.68 117.29 1woi s LEU 218 Ca 0.27 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.95 1woi s LEU 218 Cb 0.19 -4.52 0.12 0.00 0.03 0.00 0.00 46.19 42.01 1woi s LEU 218 CO 0.48 -0.82 1.13 -2.16 0.23 0.00 0.00 176.35 175.20 1woi s PRO 219 N -4.03 1.42 -0.04 1.29 0.04 -1.26 -5.06 135.00 127.36 1woi s PRO 219 Ca 0.61 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 63.06 1woi s PRO 219 Cb -0.13 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.66 1woi s PRO 219 CO 0.33 -2.31 0.00 1.03 0.04 0.00 0.00 177.00 176.09 1woi s ARG 220 N -4.74 0.38 -1.28 4.56 0.52 -1.26 -4.83 118.95 112.30 1woi s ARG 220 Ca 0.65 0.10 -0.03 0.00 -0.52 0.00 0.00 55.73 55.93 1woi s ARG 220 Cb -0.21 -0.63 0.00 0.00 0.52 0.00 0.00 34.95 34.64 1woi s ARG 220 CO 0.57 -0.19 0.41 0.41 0.02 0.00 0.00 175.30 176.52 1woi n GLY 221 N 4.48 -0.28 3.66 -3.53 0.00 0.77 -5.01 105.19 105.28 1woi n GLY 221 Ca -0.19 -0.08 -0.25 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 -5.36 2.10 -0.38 1.61 -1.52 -1.26 -4.89 119.66 109.96 1woi s GLN 222 Ca 0.20 -1.84 -0.24 0.00 -1.95 0.00 0.00 55.36 51.53 1woi s GLN 222 Cb -0.09 -1.89 0.01 0.00 -0.22 0.00 0.00 33.01 30.82 1woi s GLN 222 CO 0.25 0.02 0.81 -0.80 -0.25 0.00 0.00 175.29 175.33 1woi s ASN 223 N -3.77 6.55 -0.04 5.90 0.01 -1.26 -0.79 114.94 121.54 1woi s ASN 223 Ca 0.37 0.32 0.06 0.00 -0.71 0.00 0.00 52.86 52.90 1woi s ASN 223 Cb 0.03 -2.41 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1woi s ASN 223 CO 0.20 -0.79 -0.21 -0.69 -1.51 0.00 0.00 177.10 174.10 1woi s VAL 224 N 3.21 2.46 -0.18 1.60 1.01 0.82 -0.92 120.40 128.40 1woi s VAL 224 Ca 0.32 -0.94 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1woi s VAL 224 Cb -0.13 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.34 1woi s VAL 224 CO 0.18 0.58 -0.12 -0.47 0.00 0.00 0.00 175.10 175.27 1woi s TYR 225 N -0.52 2.84 -0.08 5.22 5.04 -0.25 -0.28 117.35 129.33 1woi s TYR 225 Ca 0.07 -1.07 -0.19 0.00 -2.44 0.00 0.00 57.07 53.44 1woi s TYR 225 Cb -0.11 -1.96 -0.05 0.00 0.35 0.00 0.00 41.96 40.20 1woi s TYR 225 CO 0.01 -0.53 0.50 -0.06 -1.34 0.00 0.00 175.55 174.14 1woi s PHE 226 N 1.05 3.57 -0.26 4.97 2.99 -0.34 -1.64 117.98 128.33 1woi s PHE 226 Ca -0.01 0.98 0.01 0.00 0.00 0.00 0.00 56.93 57.92 1woi s PHE 226 Cb -0.15 -2.55 0.07 0.00 0.00 0.00 0.00 43.02 40.39 1woi s PHE 226 CO -0.03 0.25 -0.04 0.45 -0.00 0.00 0.00 175.22 175.85 1woi s SER 227 N 0.30 4.04 -0.35 1.36 0.15 -0.56 -1.10 113.70 117.55 1woi s SER 227 Ca 0.27 -1.35 -0.08 0.00 0.70 0.00 0.00 55.95 55.49 1woi s SER 227 Cb -0.16 -1.25 0.03 0.00 -1.71 0.00 0.00 66.02 62.93 1woi s SER 227 CO 0.12 -0.26 0.15 -0.69 1.20 0.00 0.00 173.24 173.76 1woi s VAL 228 N 1.32 4.12 -0.24 4.45 1.01 0.02 -1.17 120.40 129.92 1woi s VAL 228 Ca -0.03 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 1woi s VAL 228 Cb -0.19 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1woi s VAL 228 CO -0.08 -0.18 0.43 -0.62 0.00 0.00 0.00 175.10 174.65 1woi s ASP 229 N 1.47 6.38 0.58 3.32 -1.08 -0.45 -1.23 116.67 125.66 1woi s ASP 229 Ca 0.00 0.45 0.28 0.00 -0.52 0.00 0.00 52.55 52.76 1woi s ASP 229 Cb -0.19 -2.24 1.67 0.00 -1.46 0.00 0.00 42.92 40.70 1woi s ASP 229 CO 0.04 -0.17 2.15 -0.37 0.52 0.00 0.00 175.17 177.35 1woi h VAL 230 N 5.25 0.55 0.00 1.11 -1.51 -1.66 -1.04 116.25 118.94 1woi h VAL 230 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1woi h VAL 230 Cb 1.16 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1woi h VAL 230 CO 0.69 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.13 1woi n ASP 231 N -3.91 0.00 0.21 4.19 5.68 -1.26 -1.33 116.55 120.13 1woi n ASP 231 Ca -0.00 -0.26 0.08 0.00 -0.50 0.00 0.00 54.79 54.11 1woi n ASP 231 Cb 0.23 -0.15 0.41 0.00 -1.14 0.00 0.00 41.12 40.48 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 2.93 0.00 -1.81 6.12 0.00 -1.45 -3.37 103.07 105.48 1woi h GLY 232 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 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 -3.66 3.54 0.26 5.60 0.40 -0.44 -1.85 117.98 121.84 1woi s PHE 233 Ca 0.00 1.18 -0.30 0.00 -0.60 0.00 0.00 56.93 57.21 1woi s PHE 233 Cb 0.11 -2.59 -0.10 0.00 0.51 0.00 0.00 43.02 40.94 1woi s PHE 233 CO 0.66 -0.41 1.47 0.34 0.70 0.00 0.00 175.22 177.97 1woi s ASP 234 N -3.71 6.61 0.58 1.36 -1.08 0.51 -4.56 116.67 116.38 1woi s ASP 234 Ca 0.53 2.71 0.28 0.00 -0.52 0.00 0.00 52.55 55.55 1woi s ASP 234 Cb -0.10 -2.63 1.59 0.00 -1.46 0.00 0.00 42.92 40.32 1woi s ASP 234 CO 0.42 -0.74 2.07 -0.65 0.52 0.00 0.00 175.17 176.80 1woi h PRO 235 N 5.00 0.00 -0.10 4.34 0.11 -1.76 0.19 132.00 139.78 1woi h PRO 235 Ca -0.46 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.55 1woi h PRO 235 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1woi h PRO 235 CO 0.78 0.00 -0.41 0.00 -0.21 0.00 0.00 178.00 178.16 1woi h ALA 236 N 1.75 1.14 0.03 -0.75 0.00 -1.95 -1.99 119.26 117.50 1woi h ALA 236 Ca 0.11 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1woi h ALA 236 Cb 0.58 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1woi h ALA 236 CO -0.00 0.58 -1.11 0.28 0.00 0.00 0.00 179.25 179.00 1woi h VAL 237 N 0.18 1.08 -2.95 0.00 2.07 -1.11 -3.42 116.25 112.09 1woi h VAL 237 Ca 0.02 -2.27 -0.61 0.00 0.82 0.00 0.00 66.70 64.65 1woi h VAL 237 Cb 0.80 2.56 -0.41 0.00 -1.52 0.00 0.00 31.29 32.71 1woi h VAL 237 CO 0.06 0.48 -0.66 -0.63 0.02 0.00 0.00 177.57 176.84 1woi s ILE 238 N -2.37 2.31 -0.19 4.57 -1.09 0.15 -4.60 121.20 119.97 1woi s ILE 238 Ca -0.25 -3.84 0.28 0.00 -2.23 0.00 0.00 60.65 54.62 1woi s ILE 238 Cb 0.04 -2.53 0.36 0.00 -1.58 0.00 0.00 42.46 38.75 1woi s ILE 238 CO 0.66 -1.04 1.79 1.55 -1.23 0.00 0.00 174.94 176.67 1woi h PRO 239 N 5.56 0.00 -4.92 2.79 0.13 -1.60 -3.40 132.00 130.55 1woi h PRO 239 Ca 0.15 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.68 1woi h PRO 239 Cb 0.80 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1woi h PRO 239 CO 0.64 0.00 2.20 0.41 -0.23 0.00 0.00 178.00 181.01 1woi n GLY 240 N 0.59 2.66 3.46 1.56 0.00 -1.26 -4.76 105.19 107.44 1woi n GLY 240 Ca 0.02 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 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 5.80 0.01 0.13 2.61 -1.32 -1.26 -0.34 115.64 121.28 1woi s THR 241 Ca 0.57 -0.10 -0.24 0.00 -1.21 0.00 0.00 61.69 60.71 1woi s THR 241 Cb 0.08 -0.90 -0.02 0.00 -1.51 0.00 0.00 72.50 70.15 1woi s THR 241 CO 0.06 -0.05 1.64 -1.28 -2.21 0.00 0.00 174.62 172.78 1woi h SER 242 N 3.56 -0.72 -3.01 8.08 0.87 -1.78 -3.37 113.55 117.18 1woi h SER 242 Ca -0.28 0.11 -0.61 0.00 -1.23 0.00 0.00 61.79 59.78 1woi h SER 242 Cb 1.15 0.32 -0.41 0.00 -0.44 0.00 0.00 62.40 63.02 1woi h SER 242 CO 0.34 -0.29 -0.71 -0.44 -0.53 0.00 0.00 176.83 175.20 1woi s SER 243 N -4.96 3.72 0.64 6.23 0.01 -1.26 -4.49 113.70 113.59 1woi s SER 243 Ca -0.15 -3.45 -0.16 0.00 1.31 0.00 0.00 55.95 53.50 1woi s SER 243 Cb 0.10 -1.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1woi s SER 243 CO 0.67 -0.14 1.13 -2.16 0.41 0.00 0.00 173.24 173.15 1woi s PRO 244 N -0.76 2.84 -0.05 12.44 0.04 -1.26 -4.98 135.00 143.27 1woi s PRO 244 Ca 0.26 1.50 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1woi s PRO 244 Cb -0.06 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1woi s PRO 244 CO -0.15 -1.23 -0.03 -2.00 0.04 0.00 0.00 177.00 173.63 1woi s GLU 245 N -3.87 0.73 0.95 4.56 2.56 -1.26 -5.08 118.70 117.29 1woi s GLU 245 Ca 0.69 -0.03 -0.11 0.00 0.00 0.00 0.00 54.97 55.53 1woi s GLU 245 Cb -0.23 -0.87 0.13 0.00 2.00 0.00 0.00 34.13 35.17 1woi s GLU 245 CO 0.39 -0.16 0.92 -0.35 -0.56 0.00 0.00 175.26 175.49 1woi n PRO 246 N 4.43 -0.63 -3.42 4.30 -0.04 -1.26 -4.26 135.00 134.13 1woi n PRO 246 Ca -0.19 -0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 62.99 1woi n PRO 246 Cb 0.50 -2.21 0.02 0.00 -0.04 0.00 0.00 33.50 31.77 1woi n PRO 246 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1woi n ASP 247 N -3.52 -6.36 -0.46 3.54 8.00 -1.26 -4.93 116.55 111.56 1woi n ASP 247 Ca 0.10 -0.58 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1woi n ASP 247 Cb 0.53 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.74 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 -1.67 4.85 3.77 0.44 0.00 -1.26 -4.96 105.19 106.35 1woi n GLY 248 Ca -0.11 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.45 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 4.38 0.74 0.99 1.43 -0.77 -4.28 118.68 121.16 1woi s LEU 249 Ca 0.00 2.37 -0.10 0.00 -1.03 0.00 0.00 54.13 55.37 1woi s LEU 249 Cb 0.00 -3.80 0.05 0.00 0.03 0.00 0.00 46.19 42.47 1woi s LEU 249 CO 0.00 -0.42 1.09 0.42 0.23 0.00 0.00 176.35 177.67 1woi s THR 250 N -1.27 2.67 0.17 5.49 -4.23 -1.26 -0.36 115.64 116.85 1woi s THR 250 Ca 0.50 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.97 1woi s THR 250 Cb -0.32 -3.19 0.07 0.00 1.34 0.00 0.00 72.50 70.39 1woi s THR 250 CO 0.42 -0.24 1.83 0.22 -0.54 0.00 0.00 174.62 176.31 1woi h TYR 251 N -0.76 0.70 -0.58 3.99 3.20 -1.97 -1.96 116.97 119.59 1woi h TYR 251 Ca -0.45 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.47 1woi h TYR 251 Cb 1.30 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.29 1woi h TYR 251 CO 0.39 0.46 0.32 0.00 -1.64 0.00 0.00 178.16 177.68 1woi h ALA 252 N 1.19 0.76 -0.01 1.82 0.00 -1.98 -0.59 119.26 120.44 1woi h ALA 252 Ca 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1woi h ALA 252 Cb -0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1woi h ALA 252 CO -0.04 -0.00 0.00 1.96 0.00 0.00 0.00 179.25 181.17 1woi h GLN 253 N 0.61 0.01 -0.50 0.00 4.20 -1.85 0.68 115.11 118.26 1woi h GLN 253 Ca 0.25 -0.00 0.04 0.00 0.06 0.00 0.00 58.65 59.00 1woi h GLN 253 Cb 0.13 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 1woi h GLN 253 CO -0.15 0.19 0.25 0.78 -0.67 0.00 0.00 178.83 179.22 1woi h GLY 254 N -0.16 0.69 1.45 3.46 0.00 -1.14 -2.06 103.07 105.31 1woi h GLY 254 Ca 0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1woi h GLY 254 CO -0.00 0.11 0.01 1.98 0.00 0.00 0.00 176.54 178.64 1woi h MET 255 N 0.49 0.68 -0.89 4.80 1.85 -0.97 -2.07 114.93 118.82 1woi h MET 255 Ca 0.22 -0.16 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 1woi h MET 255 Cb 0.13 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 32.03 1woi h MET 255 CO -0.15 0.69 0.49 0.87 -0.40 0.00 0.00 176.91 178.41 1woi h LYS 256 N 0.64 1.23 -0.17 0.39 1.57 -0.19 0.14 116.57 120.18 1woi h LYS 256 Ca 0.13 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1woi h LYS 256 Cb 0.39 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1woi h LYS 256 CO 0.01 0.90 0.01 0.82 -0.57 0.00 0.00 179.45 180.62 1woi h ILE 257 N 1.24 1.25 -0.48 1.86 2.04 -1.03 -1.74 117.51 120.65 1woi h ILE 257 Ca 0.31 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1woi h ILE 257 Cb 0.02 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1woi h ILE 257 CO -0.05 0.25 0.14 -0.07 0.00 0.00 0.00 178.15 178.41 1woi h LEU 258 N 0.05 0.71 -0.87 1.44 3.38 -1.07 -2.50 115.31 116.44 1woi h LEU 258 Ca 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1woi h LEU 258 Cb 0.37 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1woi h LEU 258 CO 0.01 0.74 0.31 0.00 0.09 0.00 0.00 178.44 179.59 1woi h ALA 259 N 1.00 1.11 -0.29 1.53 0.00 -0.70 -1.22 119.26 120.68 1woi h ALA 259 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1woi h ALA 259 Cb 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1woi h ALA 259 CO -0.00 0.64 0.11 0.00 0.00 0.00 0.00 179.25 180.00 1woi h ALA 260 N 1.23 0.38 -0.28 0.00 0.00 -1.16 -1.97 119.26 117.45 1woi h ALA 260 Ca 0.26 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1woi h ALA 260 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1woi h ALA 260 CO -0.02 -0.02 -0.22 0.00 0.00 0.00 0.00 179.25 178.99 1woi h ALA 261 N 0.96 1.10 0.00 0.00 0.00 -1.26 -2.88 119.26 117.17 1woi h ALA 261 Ca 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1woi h ALA 261 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1woi h ALA 261 CO -0.01 0.56 -0.29 0.00 0.00 0.00 0.00 179.25 179.51 1woi h ALA 262 N 1.30 1.01 0.00 0.00 0.00 -1.04 -3.01 119.26 117.52 1woi h ALA 262 Ca 0.07 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1woi h ALA 262 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1woi h ALA 262 CO 0.05 0.36 -0.47 0.00 0.00 0.00 0.00 179.25 179.19 1woi h ALA 263 N 1.71 1.18 -0.25 0.00 0.00 -1.12 -3.35 119.26 117.43 1woi h ALA 263 Ca -0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 54.91 54.26 1woi h ALA 263 Cb 0.81 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 18.18 1woi h ALA 263 CO 0.04 0.58 -0.97 0.27 0.00 0.00 0.00 179.25 179.17 1woi n ASN 264 N -3.91 1.79 -3.91 0.00 0.23 -1.22 -4.87 115.26 103.37 1woi n ASN 264 Ca -0.01 -2.47 -0.09 0.00 -0.53 0.00 0.00 54.58 51.47 1woi n ASN 264 Cb 0.50 -0.40 -0.08 0.00 -2.08 0.00 0.00 39.78 37.71 1woi n ASN 264 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1woi s ASN 265 N -3.03 0.18 -0.47 0.53 0.01 -1.14 -0.16 114.94 110.86 1woi s ASN 265 Ca 0.34 -0.63 -0.22 0.00 -0.71 0.00 0.00 52.86 51.64 1woi s ASN 265 Cb 0.36 0.28 0.03 0.00 0.41 0.00 0.00 41.25 42.33 1woi s ASN 265 CO -0.08 -0.62 0.76 -0.89 -1.51 0.00 0.00 177.10 174.75 1woi s THR 266 N -3.31 4.68 -0.30 1.60 2.01 0.03 -4.83 115.64 115.53 1woi s THR 266 Ca 0.01 0.24 -0.25 0.00 0.31 0.00 0.00 61.69 62.00 1woi s THR 266 Cb 0.03 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.22 1woi s THR 266 CO -0.08 -0.75 0.88 -0.69 -0.69 0.00 0.00 174.62 173.29 1woi s VAL 267 N 3.20 4.73 -1.27 3.82 1.01 -1.26 -0.13 120.40 130.49 1woi s VAL 267 Ca 0.27 1.42 0.23 0.00 0.00 0.00 0.00 61.98 63.90 1woi s VAL 267 Cb -0.13 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 1woi s VAL 267 CO 0.20 -0.27 1.12 1.33 0.00 0.00 0.00 175.10 177.48 1woi n VAL 268 N 5.56 0.00 0.00 2.92 0.24 0.62 -4.84 118.33 122.83 1woi n VAL 268 Ca 0.06 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1woi n VAL 268 Cb 0.48 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.67 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 1.47 0.12 3.64 7.63 0.00 -1.25 -4.26 105.19 112.54 1woi n GLY 269 Ca 0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.68 0.11 0.99 0.20 -0.89 -1.19 118.68 117.22 1woi s LEU 270 Ca 0.00 1.24 0.10 0.00 0.69 0.00 0.00 54.13 56.15 1woi s LEU 270 Cb 0.00 2.22 -0.04 0.00 -0.43 0.00 0.00 46.19 47.94 1woi s LEU 270 CO 0.00 -0.21 -0.24 1.51 -0.29 0.00 0.00 176.35 177.12 1woi s ASP 271 N 0.68 2.93 -0.24 3.68 1.47 -0.26 -0.11 116.67 124.83 1woi s ASP 271 Ca -0.02 -0.72 0.01 0.00 1.18 0.00 0.00 52.55 53.01 1woi s ASP 271 Cb -0.05 -0.18 0.06 0.00 -0.34 0.00 0.00 42.92 42.41 1woi s ASP 271 CO -0.07 0.12 -0.06 -0.22 0.68 0.00 0.00 175.17 175.62 1woi s LEU 272 N -1.97 2.69 0.32 2.11 1.98 -0.22 -0.80 118.68 122.79 1woi s LEU 272 Ca 0.10 -1.20 0.07 0.00 -2.89 0.00 0.00 54.13 50.21 1woi s LEU 272 Cb -0.10 -1.23 -0.06 0.00 0.66 0.00 0.00 46.19 45.45 1woi s LEU 272 CO 0.05 -0.23 -0.03 0.68 -1.89 0.00 0.00 176.35 174.93 1woi s VAL 273 N 1.35 1.72 -0.32 1.68 -7.23 -0.37 -0.83 120.40 116.41 1woi s VAL 273 Ca -0.06 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1woi s VAL 273 Cb -0.19 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.10 1woi s VAL 273 CO -0.06 -0.17 0.00 -0.62 -0.31 0.00 0.00 175.10 173.94 1woi n GLU 274 N -0.71 -0.93 -2.37 4.82 -0.58 -0.40 -1.83 120.64 118.63 1woi n GLU 274 Ca -0.05 0.43 -0.41 0.00 -0.42 0.00 0.00 57.16 56.71 1woi n GLU 274 Cb 0.65 -4.24 -0.03 0.00 -0.57 0.00 0.00 31.44 27.24 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 -0.68 4.46 -0.42 -4.62 0.20 -1.26 -4.19 118.68 112.17 1woi s LEU 275 Ca 0.00 2.26 0.02 0.00 0.69 0.00 0.00 54.13 57.09 1woi s LEU 275 Cb 0.00 -3.61 0.13 0.00 -0.43 0.00 0.00 46.19 42.28 1woi s LEU 275 CO 0.00 -0.36 0.22 0.00 -0.29 0.00 0.00 176.35 175.92 1woi s ALA 276 N -0.20 1.97 0.28 5.97 0.00 0.54 -3.67 121.76 126.65 1woi s ALA 276 Ca 0.52 -2.44 0.01 0.00 0.00 0.00 0.00 51.96 50.06 1woi s ALA 276 Cb -0.33 -1.84 0.56 0.00 0.00 0.00 0.00 23.12 21.51 1woi s ALA 276 CO 0.38 -2.04 1.82 -1.35 0.00 0.00 0.00 175.76 174.57 1woi h PRO 277 N 6.88 0.91 0.00 0.00 0.11 -1.80 -1.19 132.00 136.91 1woi h PRO 277 Ca -0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1woi h PRO 277 Cb 0.94 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1woi h PRO 277 CO 0.46 0.60 0.00 -2.95 -0.21 0.00 0.00 178.00 175.90 1woi h ASN 278 N 0.93 0.00 0.05 -2.05 -1.07 -1.93 -1.90 115.58 109.61 1woi h ASN 278 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.87 1woi h ASN 278 Cb 0.54 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.79 1woi h ASN 278 CO -0.28 0.00 -0.29 0.18 0.07 0.00 0.00 177.43 177.11 1woi n LEU 279 N -2.62 1.88 -3.65 6.14 4.77 -0.45 -4.67 117.00 118.40 1woi n LEU 279 Ca -0.01 -0.64 -0.29 0.00 -0.03 0.00 0.00 56.01 55.03 1woi n LEU 279 Cb 0.10 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1woi n LEU 279 CO 0.16 0.34 -0.27 -0.62 -1.33 0.00 0.00 177.39 175.67 1woi s ASP 280 N -2.35 3.49 0.04 -1.43 3.68 -0.71 -4.46 116.67 114.92 1woi s ASP 280 Ca 0.24 -2.48 0.13 0.00 2.13 0.00 0.00 52.55 52.57 1woi s ASP 280 Cb 0.19 -0.87 0.58 0.00 -1.45 0.00 0.00 42.92 41.37 1woi s ASP 280 CO 0.49 -0.28 1.42 -0.81 0.13 0.00 0.00 175.17 176.12 1woi n PRO 281 N 3.71 0.03 0.17 4.34 -0.04 -1.26 -1.93 135.00 140.01 1woi n PRO 281 Ca 0.09 0.32 0.12 0.00 -0.04 0.00 0.00 63.50 64.00 1woi n PRO 281 Cb 0.35 -1.56 0.28 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 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1woi h THR 282 Cb 0.22 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 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 1.18 1.26 0.22 5.82 0.00 -0.81 -4.90 105.19 107.96 1woi n GLY 283 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 2.28 0.09 -0.07 1.61 0.11 -1.92 -2.93 114.38 113.55 1woi h ARG 284 Ca 0.00 -0.02 0.02 0.00 0.10 0.00 0.00 59.98 60.08 1woi h ARG 284 Cb 0.00 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 1woi h ARG 284 CO 0.00 0.32 -0.04 0.77 0.10 0.00 0.00 179.97 181.11 1woi h SER 285 N 0.08 -0.14 0.17 0.08 0.02 -1.88 -0.15 113.55 111.73 1woi h SER 285 Ca 0.01 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 1woi h SER 285 Cb 0.45 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1woi h SER 285 CO 0.03 -0.06 -0.58 1.05 -1.14 0.00 0.00 176.83 176.13 1woi h GLU 286 N -0.04 0.42 -0.29 3.45 9.09 -1.92 -1.87 114.58 123.40 1woi h GLU 286 Ca 0.04 -0.27 -0.02 0.00 0.05 0.00 0.00 59.36 59.16 1woi h GLU 286 Cb 0.11 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.23 1woi h GLU 286 CO -0.10 0.88 0.12 -0.07 0.05 0.00 0.00 179.01 179.89 1woi h LEU 287 N 0.32 0.40 -0.43 3.06 3.38 -1.32 -1.08 115.31 119.64 1woi h LEU 287 Ca -0.00 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.65 1woi h LEU 287 Cb 1.11 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 1woi h LEU 287 CO 0.10 0.45 -0.37 -0.07 0.09 0.00 0.00 178.44 178.65 1woi h LEU 288 N 0.32 0.98 -0.86 1.67 4.07 -1.01 -2.39 115.31 118.08 1woi h LEU 288 Ca 0.10 -0.44 -0.12 0.00 0.08 0.00 0.00 57.88 57.50 1woi h LEU 288 Cb 0.18 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 1woi h LEU 288 CO -0.01 1.23 -0.55 0.24 -1.08 0.00 0.00 178.44 178.27 1woi h MET 289 N 0.76 0.00 -0.34 1.13 2.86 -1.27 -0.14 114.93 117.92 1woi h MET 289 Ca 0.07 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.55 1woi h MET 289 Cb 0.96 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 1woi h MET 289 CO 0.09 0.55 -0.41 0.00 1.06 0.00 0.00 176.91 178.20 1woi h ALA 290 N 1.45 0.63 -0.51 6.32 0.00 -1.15 -2.18 119.26 123.82 1woi h ALA 290 Ca -0.01 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1woi h ALA 290 Cb 1.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1woi h ALA 290 CO 0.07 0.67 -0.01 -0.09 0.00 0.00 0.00 179.25 179.90 1woi h ARG 291 N 0.69 0.87 -0.54 0.00 2.43 -1.09 -2.29 114.38 114.45 1woi h ARG 291 Ca 0.05 -0.25 0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1woi h ARG 291 Cb 0.99 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 1woi h ARG 291 CO 0.09 0.87 0.34 1.25 -1.51 0.00 0.00 179.97 181.01 1woi h LEU 292 N 0.80 0.56 -0.16 3.80 5.85 -0.72 0.21 115.31 125.65 1woi h LEU 292 Ca 0.15 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1woi h LEU 292 Cb 0.49 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1woi h LEU 292 CO 0.02 0.40 0.10 0.58 -0.34 0.00 0.00 178.44 179.20 1woi h VAL 293 N 0.68 1.08 -0.65 1.05 2.07 -1.16 -0.87 116.25 118.45 1woi h VAL 293 Ca 0.21 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1woi h VAL 293 Cb -0.02 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1woi h VAL 293 CO -0.07 0.08 0.30 0.24 0.02 0.00 0.00 177.57 178.13 1woi h MET 294 N 0.18 0.94 -0.40 1.57 2.86 -0.92 -1.97 114.93 117.19 1woi h MET 294 Ca 0.06 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.47 1woi h MET 294 Cb 0.04 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1woi h MET 294 CO -0.01 0.76 -0.10 1.49 1.06 0.00 0.00 176.91 180.11 1woi h GLU 295 N 0.90 0.70 -0.77 1.72 4.81 -0.46 -1.72 114.58 119.76 1woi h GLU 295 Ca 0.22 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1woi h GLU 295 Cb 0.14 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1woi h GLU 295 CO -0.03 0.79 0.28 1.15 -0.73 0.00 0.00 179.01 180.47 1woi h THR 296 N 0.64 1.26 -0.28 0.32 2.02 -0.87 -1.73 112.91 114.27 1woi h THR 296 Ca 0.11 -0.85 -0.09 0.00 0.77 0.00 0.00 66.41 66.35 1woi h THR 296 Cb 0.55 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1woi h THR 296 CO 0.03 0.34 -0.21 -0.07 0.37 0.00 0.00 175.52 175.98 1woi h LEU 297 N 1.13 0.51 -0.34 2.58 3.38 -0.87 0.29 115.31 121.98 1woi h LEU 297 Ca 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1woi h LEU 297 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1woi h LEU 297 CO -0.02 0.73 0.22 0.00 0.09 0.00 0.00 178.44 179.46 1woi h GLU 299 N 0.45 0.40 0.35 0.00 4.39 -0.91 -2.25 114.58 117.01 1woi h GLU 299 Ca 0.12 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1woi h GLU 299 Cb -0.02 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1woi h GLU 299 CO -0.02 0.35 -0.32 0.28 -1.16 0.00 0.00 179.01 178.14 1woi h VAL 300 N 0.35 0.34 0.00 3.13 2.07 -0.64 -2.33 116.25 119.18 1woi h VAL 300 Ca 0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1woi h VAL 300 Cb 0.07 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1woi h VAL 300 CO -0.02 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.06 1woi n PHE 301 N -5.43 0.00 0.99 1.57 3.01 -0.28 -1.91 117.46 115.41 1woi n PHE 301 Ca -0.10 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.48 1woi n PHE 301 Cb 0.34 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.91 1woi n PHE 301 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1woi n ASP 302 N -0.86 0.69 -2.32 4.37 10.43 -0.85 -4.35 116.55 123.66 1woi n ASP 302 Ca 0.12 -0.53 -0.05 0.00 2.57 0.00 0.00 54.79 56.90 1woi n ASP 302 Cb 0.05 0.54 0.05 0.00 1.84 0.00 0.00 41.12 43.60 1woi n ASP 302 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 1woi n HIS 303 N -1.51 1.41 -2.77 1.24 8.25 -0.80 -5.09 115.22 115.95 1woi n HIS 303 Ca 0.05 -1.91 -0.40 0.00 -0.26 0.00 0.00 57.72 55.20 1woi n HIS 303 Cb 0.34 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.14 1woi n HIS 303 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1woi s VAL 304 N -3.49 4.15 -2.37 1.59 1.01 -1.23 -4.89 120.40 115.17 1woi s VAL 304 Ca 0.35 2.05 0.29 0.00 0.00 0.00 0.00 61.98 64.67 1woi s VAL 304 Cb 0.36 -4.31 0.64 0.00 0.00 0.00 0.00 36.38 33.07 1woi s VAL 304 CO -0.04 0.48 1.87 0.18 0.00 0.00 0.00 175.10 177.59