#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1woi s PRO 4 N 0.00 3.93 0.02 1.61 0.04 -1.26 -5.05 135.00 134.29 1woi s PRO 4 Ca 0.00 1.58 0.03 0.00 0.04 0.00 0.00 61.00 62.65 1woi s PRO 4 Cb 0.00 -2.40 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 1woi s PRO 4 CO 0.00 -0.36 -0.04 0.00 0.04 0.00 0.00 177.00 176.64 1woi s ALA 5 N -1.68 3.11 0.66 8.56 0.00 -1.26 -5.10 121.76 126.05 1woi s ALA 5 Ca 0.62 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1woi s ALA 5 Cb -0.23 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.71 1woi s ALA 5 CO 0.29 0.63 1.17 -1.01 0.00 0.00 0.00 175.76 176.84 1woi s HIS 6 N -1.06 2.35 0.63 0.00 3.76 -1.26 -5.04 115.29 114.68 1woi s HIS 6 Ca 0.19 1.56 -0.04 0.00 -0.15 0.00 0.00 55.06 56.62 1woi s HIS 6 Cb -0.11 -3.36 0.04 0.00 1.11 0.00 0.00 32.58 30.26 1woi s HIS 6 CO 0.10 -2.15 0.91 -0.51 -0.85 0.00 0.00 174.74 172.24 1woi s LEU 7 N -4.71 3.05 0.31 0.89 2.01 -1.26 -4.95 118.68 114.02 1woi s LEU 7 Ca 0.73 0.33 0.04 0.00 0.01 0.00 0.00 54.13 55.23 1woi s LEU 7 Cb -0.26 -3.09 0.65 0.00 0.01 0.00 0.00 46.19 43.50 1woi s LEU 7 CO 0.40 -1.35 1.85 -0.65 1.01 0.00 0.00 176.35 177.61 1woi h PRO 8 N -0.29 0.87 -0.06 1.29 0.11 -1.96 -1.60 132.00 130.34 1woi h PRO 8 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1woi h PRO 8 Cb 1.30 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1woi h PRO 8 CO 0.58 0.57 0.00 2.48 -0.21 0.00 0.00 178.00 181.42 1woi n TYR 9 N -4.59 0.08 -4.27 0.65 4.11 -1.26 -4.88 117.16 107.00 1woi n TYR 9 Ca 0.18 -0.04 -0.26 0.00 -0.00 0.00 0.00 57.90 57.78 1woi n TYR 9 Cb 0.39 0.00 -0.08 0.00 -0.00 0.00 0.00 39.34 39.64 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 -1.38 1.72 0.00 -7.48 0.00 -0.61 -5.06 107.32 94.51 1woi s GLY 10 Ca 0.21 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1woi s GLY 10 CO 0.17 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.37 1woi n GLY 11 N -0.18 -1.16 3.71 0.20 0.00 -1.26 -4.69 105.19 101.80 1woi n GLY 11 Ca -0.10 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1woi n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1woi s ILE 12 N -1.98 4.70 -0.80 -0.61 -1.09 -1.26 -4.98 121.20 115.18 1woi s ILE 12 Ca 0.00 1.94 -0.26 0.00 -2.23 0.00 0.00 60.65 60.10 1woi s ILE 12 Cb 0.00 -4.24 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1woi s ILE 12 CO 0.00 0.15 1.31 -2.16 -1.23 0.00 0.00 174.94 173.02 1woi s PRO 13 N 1.02 3.27 0.21 2.79 0.04 -1.26 -4.92 135.00 136.15 1woi s PRO 13 Ca 0.53 -0.43 0.09 0.00 0.04 0.00 0.00 61.00 61.23 1woi s PRO 13 Cb -0.23 -4.43 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 1woi s PRO 13 CO 0.28 -2.16 -0.04 0.95 0.04 0.00 0.00 177.00 176.08 1woi s THR 14 N 5.57 3.44 0.06 1.26 -4.23 -1.26 -4.72 115.64 115.76 1woi s THR 14 Ca 0.37 -1.66 -0.32 0.00 -1.18 0.00 0.00 61.69 58.90 1woi s THR 14 Cb -0.06 -2.76 -0.11 0.00 1.34 0.00 0.00 72.50 70.91 1woi s THR 14 CO 0.10 -0.19 1.85 0.33 -0.54 0.00 0.00 174.62 176.17 1woi n PHE 15 N -0.31 2.50 -1.91 3.99 7.35 -1.26 -1.25 117.46 126.58 1woi n PHE 15 Ca -0.09 -0.13 -0.17 0.00 -0.76 0.00 0.00 57.45 56.30 1woi n PHE 15 Cb 0.56 -2.72 -0.04 0.00 0.35 0.00 0.00 39.48 37.64 1woi n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1woi n ALA 16 N 6.06 -0.46 -2.27 3.13 0.00 -1.26 -1.05 120.51 124.66 1woi n ALA 16 Ca 0.19 0.21 -0.19 0.00 0.00 0.00 0.00 53.44 53.65 1woi n ALA 16 Cb 0.36 -1.78 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 1woi n ALA 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1woi n ARG 17 N -2.48 -1.73 -1.71 0.00 1.74 -0.38 -4.68 116.66 107.42 1woi n ARG 17 Ca -0.18 0.97 -0.31 0.00 -0.77 0.00 0.00 57.85 57.55 1woi n ARG 17 Cb 0.60 -5.58 0.03 0.00 -1.02 0.00 0.00 32.46 26.49 1woi n ARG 17 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woi s ALA 18 N -2.91 2.82 0.51 7.54 0.00 -0.22 -4.96 121.76 124.54 1woi s ALA 18 Ca 0.00 0.06 -0.21 0.00 0.00 0.00 0.00 51.96 51.80 1woi s ALA 18 Cb 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 1woi s ALA 18 CO 0.00 -1.01 1.21 -1.25 0.00 0.00 0.00 175.76 174.71 1woi s PRO 19 N -4.99 3.44 -0.02 0.00 0.04 -1.26 -4.57 135.00 127.64 1woi s PRO 19 Ca 0.58 1.86 -0.24 0.00 0.04 0.00 0.00 61.00 63.23 1woi s PRO 19 Cb -0.13 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1woi s PRO 19 CO 0.53 -0.84 0.74 -1.17 0.04 0.00 0.00 177.00 176.30 1woi s LEU 20 N -3.42 4.37 0.27 -3.56 2.96 -1.26 -1.37 118.68 116.68 1woi s LEU 20 Ca 0.69 1.32 0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1woi s LEU 20 Cb -0.31 -3.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.16 1woi s LEU 20 CO 0.36 -0.08 0.09 0.68 -1.32 0.00 0.00 176.35 176.09 1woi s VAL 21 N 0.50 0.65 -0.00 1.68 -7.23 -0.10 -4.94 120.40 110.96 1woi s VAL 21 Ca 0.39 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.48 1woi s VAL 21 Cb -0.19 -2.65 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 1woi s VAL 21 CO 0.21 0.00 0.28 -1.10 -0.31 0.00 0.00 175.10 174.18 1woi s GLN 22 N -3.99 3.63 0.24 4.82 -1.52 -1.26 -4.11 119.66 117.46 1woi s GLN 22 Ca 0.37 0.02 -0.05 0.00 -1.95 0.00 0.00 55.36 53.75 1woi s GLN 22 Cb 0.08 -3.11 0.45 0.00 -0.22 0.00 0.00 33.01 30.21 1woi s GLN 22 CO 0.14 0.66 1.69 -1.35 -0.25 0.00 0.00 175.29 176.19 1woi h PRO 23 N 4.21 0.29 -0.77 2.91 0.11 -1.93 -0.08 132.00 136.74 1woi h PRO 23 Ca -0.51 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.33 1woi h PRO 23 Cb 1.21 -0.06 -0.15 0.00 0.11 0.00 0.00 31.00 32.10 1woi h PRO 23 CO 0.64 0.19 0.32 -0.40 -0.21 0.00 0.00 178.00 178.54 1woi n ASP 24 N -5.13 4.65 -4.15 -2.05 5.75 -1.26 -4.06 116.55 110.30 1woi n ASP 24 Ca 0.14 -3.29 -0.30 0.00 -0.01 0.00 0.00 54.79 51.33 1woi n ASP 24 Cb 0.44 -0.76 0.18 0.00 -1.03 0.00 0.00 41.12 39.96 1woi n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1woi s GLY 25 N -1.12 1.78 -1.23 6.12 0.00 -0.05 -4.97 107.32 107.87 1woi s GLY 25 Ca 0.55 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1woi s GLY 25 CO 0.13 -0.45 1.61 1.34 0.00 0.00 0.00 173.10 175.73 1woi n ASP 26 N -3.74 5.27 -4.06 1.64 2.03 -1.26 -4.94 116.55 111.48 1woi n ASP 26 Ca 0.15 -3.07 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 1woi n ASP 26 Cb 0.59 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.41 1woi n ASP 26 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 1woi s TRP 27 N 0.59 0.64 -0.18 -0.67 1.48 -1.26 -5.13 118.94 114.41 1woi s TRP 27 Ca 0.40 -1.02 -0.15 0.00 -1.06 0.00 0.00 56.10 54.27 1woi s TRP 27 Cb 0.03 -0.29 0.05 0.00 -1.16 0.00 0.00 33.47 32.09 1woi s TRP 27 CO 0.01 -0.60 0.48 -0.65 -4.06 0.00 0.00 176.95 172.13 1woi s GLN 28 N -4.01 0.54 0.16 3.25 -0.21 -1.26 -4.84 119.66 113.30 1woi s GLN 28 Ca 0.20 0.72 -0.18 0.00 0.02 0.00 0.00 55.36 56.12 1woi s GLN 28 Cb 0.06 0.21 0.04 0.00 1.00 0.00 0.00 33.01 34.32 1woi s GLN 28 CO 0.00 -0.09 0.50 0.00 -2.12 0.00 0.00 175.29 173.59 1woi s ALA 29 N 0.54 -1.10 0.15 6.09 0.00 -0.99 -5.02 121.76 121.43 1woi s ALA 29 Ca -0.02 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.83 1woi s ALA 29 Cb -0.04 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.91 1woi s ALA 29 CO -0.03 -0.75 1.60 -0.44 0.00 0.00 0.00 175.76 176.15 1woi h ASP 30 N 2.20 0.90 -4.20 0.00 3.32 -1.75 -3.16 116.42 113.74 1woi h ASP 30 Ca -0.32 -0.31 -0.50 0.00 0.02 0.00 0.00 57.03 55.92 1woi h ASP 30 Cb 1.27 -0.24 -0.29 0.00 0.22 0.00 0.00 39.33 40.29 1woi h ASP 30 CO 0.40 0.99 -0.82 -0.69 -1.72 0.00 0.00 179.24 177.41 1woi s VAL 31 N -4.98 1.19 -0.02 -1.35 1.01 -0.40 -1.02 120.40 114.81 1woi s VAL 31 Ca -0.12 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.23 1woi s VAL 31 Cb 0.12 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.52 1woi s VAL 31 CO 0.83 0.34 -0.02 0.00 0.00 0.00 0.00 175.10 176.25 1woi s ALA 32 N -0.30 0.41 0.01 5.51 0.00 -1.08 -1.20 121.76 125.11 1woi s ALA 32 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1woi s ALA 32 Cb -0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1woi s ALA 32 CO -0.00 -0.01 0.22 0.00 0.00 0.00 0.00 175.76 175.97 1woi s ALA 33 N 0.66 3.92 -0.08 0.00 0.00 -0.18 -0.23 121.76 125.84 1woi s ALA 33 Ca -0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 51.96 51.16 1woi s ALA 33 Cb -0.10 -1.95 0.04 0.00 0.00 0.00 0.00 23.12 21.11 1woi s ALA 33 CO -0.01 0.72 0.16 -1.17 0.00 0.00 0.00 175.76 175.46 1woi s LEU 34 N -1.94 0.17 0.11 0.00 2.96 -0.17 -0.55 118.68 119.26 1woi s LEU 34 Ca 0.28 0.33 -0.09 0.00 -0.22 0.00 0.00 54.13 54.43 1woi s LEU 34 Cb -0.13 0.31 -0.06 0.00 0.50 0.00 0.00 46.19 46.81 1woi s LEU 34 CO 0.18 -0.22 0.41 -0.83 -1.32 0.00 0.00 176.35 174.58 1woi s GLY 35 N 1.95 2.31 -0.50 7.98 0.00 0.07 -1.31 107.32 117.82 1woi s GLY 35 Ca -0.01 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 44.34 1woi s GLY 35 CO -0.06 -0.24 0.36 0.14 0.00 0.00 0.00 173.10 173.31 1woi s VAL 36 N -1.51 1.22 -1.15 1.40 1.01 0.70 -0.85 120.40 121.22 1woi s VAL 36 Ca 0.37 -3.05 -0.12 0.00 0.00 0.00 0.00 61.98 59.17 1woi s VAL 36 Cb -0.13 -1.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.35 1woi s VAL 36 CO 0.20 -1.10 2.28 -0.81 0.00 0.00 0.00 175.10 175.66 1woi n PRO 37 N 2.77 2.45 -4.10 2.72 -0.04 -1.26 -3.19 135.00 134.35 1woi n PRO 37 Ca 0.23 -1.95 -0.33 0.00 -0.04 0.00 0.00 63.50 61.40 1woi n PRO 37 Cb 0.41 -2.82 -0.16 0.00 -0.04 0.00 0.00 33.50 30.90 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 3.50 2.82 -0.00 0.54 5.36 -1.26 -4.71 117.98 124.22 1woi s PHE 38 Ca 0.52 -1.62 0.01 0.00 -0.96 0.00 0.00 56.93 54.88 1woi s PHE 38 Cb 0.14 -1.94 0.01 0.00 -0.34 0.00 0.00 43.02 40.89 1woi s PHE 38 CO -0.01 -0.79 0.88 -0.40 -1.46 0.00 0.00 175.22 173.43 1woi n ASP 39 N 4.63 0.11 -0.10 6.13 5.68 -1.26 0.25 116.55 131.99 1woi n ASP 39 Ca -0.20 -1.78 0.14 0.00 -0.50 0.00 0.00 54.79 52.45 1woi n ASP 39 Cb 0.50 -0.15 0.79 0.00 -1.14 0.00 0.00 41.12 41.11 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 -0.06 0.01 0.68 2.12 -5.35 -1.26 -3.44 119.36 112.06 1woi n ILE 40 Ca 0.01 -0.05 0.11 0.00 -0.27 0.00 0.00 62.75 62.55 1woi n ILE 40 Cb 0.64 -0.27 0.05 0.00 -1.74 0.00 0.00 39.64 38.32 1woi n ILE 40 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1woi n ALA 41 N -0.73 3.52 -1.73 -1.28 0.00 -1.26 -4.95 120.51 114.08 1woi n ALA 41 Ca 0.21 -0.40 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 1woi n ALA 41 Cb 0.15 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -3.71 3.60 0.00 0.00 0.05 -1.22 -3.04 118.68 114.36 1woi s LEU 42 Ca 0.05 1.78 0.22 0.00 0.05 0.00 0.00 54.13 56.24 1woi s LEU 42 Cb 0.15 -4.53 0.50 0.00 -2.05 0.00 0.00 46.19 40.26 1woi s LEU 42 CO 0.79 -0.95 1.44 0.61 -0.55 0.00 0.00 176.35 177.68 1woi n GLY 43 N -0.95 1.55 0.00 -3.48 0.00 -1.26 -4.91 105.19 96.13 1woi n GLY 43 Ca 0.08 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.29 0.00 -3.55 1.61 -0.00 -1.26 -5.10 117.46 110.45 1woi n PHE 44 Ca 0.19 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.24 1woi n PHE 44 Cb 0.55 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.93 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 0.75 3.41 0.90 -4.13 0.52 -1.26 -5.09 118.95 114.05 1woi s ARG 45 Ca 0.00 -0.70 -0.11 0.00 -0.52 0.00 0.00 55.73 54.40 1woi s ARG 45 Cb 0.00 -3.78 0.13 0.00 0.52 0.00 0.00 34.95 31.82 1woi s ARG 45 CO 0.00 -0.47 1.09 -2.14 0.02 0.00 0.00 175.30 173.80 1woi s PRO 46 N 1.70 1.21 0.00 3.54 0.02 -1.26 -4.45 135.00 135.76 1woi s PRO 46 Ca 0.06 0.89 0.00 0.00 0.02 0.00 0.00 61.00 61.96 1woi s PRO 46 Cb -0.17 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.55 1woi s PRO 46 CO 0.10 -2.29 0.00 0.41 -0.33 0.00 0.00 177.00 174.89 1woi n GLY 47 N -0.97 1.09 0.15 0.52 0.00 -1.26 -4.94 105.19 99.77 1woi n GLY 47 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1woi n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1woi n ALA 48 N 0.00 1.00 0.27 4.61 0.00 -1.24 -0.84 120.51 124.30 1woi n ALA 48 Ca 0.00 0.17 0.14 0.00 0.00 0.00 0.00 53.44 53.76 1woi n ALA 48 Cb 0.00 -1.23 0.74 0.00 0.00 0.00 0.00 19.45 18.96 1woi n ALA 48 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1woi h ARG 49 N 0.00 0.00 -0.01 0.00 0.11 -1.84 0.34 114.38 112.98 1woi h ARG 49 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1woi h ARG 49 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1woi h ARG 49 CO 0.00 0.10 -0.15 1.19 0.10 0.00 0.00 179.97 181.21 1woi n PHE 50 N -3.43 0.00 -0.06 4.08 3.72 -0.02 -4.44 117.46 117.31 1woi n PHE 50 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 1woi n PHE 50 Cb 0.26 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.72 1woi n PHE 50 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1woi h ALA 51 N 4.08 0.29 -0.56 4.37 0.00 -1.42 -1.82 119.26 124.20 1woi h ALA 51 Ca 0.00 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.93 1woi h ALA 51 Cb 0.59 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1woi h ALA 51 CO 0.00 -0.17 0.17 -1.35 0.00 0.00 0.00 179.25 177.90 1woi h PRO 52 N 0.24 0.32 -0.51 0.00 0.11 -1.76 0.32 132.00 130.72 1woi h PRO 52 Ca 0.08 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1woi h PRO 52 Cb 0.09 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 1woi h PRO 52 CO -0.01 0.21 0.13 -0.09 -0.21 0.00 0.00 178.00 178.03 1woi h ARG 53 N 0.33 0.81 -0.70 1.05 2.43 -1.84 -0.80 114.38 115.67 1woi h ARG 53 Ca 0.28 -0.19 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1woi h ARG 53 Cb 0.36 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 1woi h ARG 53 CO -0.31 0.77 0.20 0.00 -1.51 0.00 0.00 179.97 179.12 1woi h ALA 54 N 1.00 1.02 -0.41 2.80 0.00 -0.57 -1.53 119.26 121.58 1woi h ALA 54 Ca 0.16 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1woi h ALA 54 Cb 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1woi h ALA 54 CO 0.00 0.65 -0.18 -0.07 0.00 0.00 0.00 179.25 179.65 1woi h LEU 55 N 1.05 0.78 -0.37 0.00 3.38 -0.15 0.35 115.31 120.34 1woi h LEU 55 Ca 0.22 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1woi h LEU 55 Cb 0.33 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1woi h LEU 55 CO -0.00 0.95 0.05 0.03 0.09 0.00 0.00 178.44 179.56 1woi h ARG 56 N 0.68 0.61 -0.42 1.13 3.08 -0.81 0.74 114.38 119.39 1woi h ARG 56 Ca 0.10 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1woi h ARG 56 Cb 0.68 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1woi h ARG 56 CO 0.05 0.68 0.22 0.93 -1.07 0.00 0.00 179.97 180.78 1woi h GLU 57 N 0.45 0.60 -0.07 0.04 5.08 -1.09 -2.58 114.58 117.01 1woi h GLU 57 Ca 0.11 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.32 1woi h GLU 57 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1woi h GLU 57 CO 0.01 0.50 -0.27 0.00 -1.00 0.00 0.00 179.01 178.25 1woi h ALA 58 N 1.07 1.43 0.00 3.43 0.00 -0.74 -2.52 119.26 121.92 1woi h ALA 58 Ca 0.15 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1woi h ALA 58 Cb 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1woi h ALA 58 CO -0.02 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.51 1woi n SER 59 N -4.18 0.58 0.10 0.00 3.41 0.24 -1.88 113.62 111.89 1woi n SER 59 Ca -0.02 0.68 0.10 0.00 -0.26 0.00 0.00 58.87 59.37 1woi n SER 59 Cb 0.35 -0.79 0.44 0.00 -0.26 0.00 0.00 64.21 63.95 1woi n SER 59 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1woi n LEU 60 N -2.18 0.47 -0.54 1.04 4.77 -0.95 -0.57 117.00 119.05 1woi n LEU 60 Ca 0.01 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 1woi n LEU 60 Cb 0.17 -0.59 0.35 0.00 -2.33 0.00 0.00 43.42 41.01 1woi n LEU 60 CO 0.16 -0.54 0.72 0.54 -1.33 0.00 0.00 177.39 176.93 1woi n ARG 61 N -2.04 1.60 -2.82 3.23 1.74 -0.79 -4.31 116.66 113.27 1woi n ARG 61 Ca 0.02 -1.09 -0.15 0.00 -0.77 0.00 0.00 57.85 55.86 1woi n ARG 61 Cb 0.18 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 1woi n ARG 61 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1woi n SER 62 N 0.25 1.82 -4.69 0.55 7.64 0.27 -5.09 113.62 114.36 1woi n SER 62 Ca 0.15 -2.98 -0.42 0.00 1.01 0.00 0.00 58.87 56.64 1woi n SER 62 Cb 0.42 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 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 -3.27 4.86 0.80 0.44 1.01 -1.19 -4.85 120.40 118.20 1woi s VAL 63 Ca 0.35 1.89 -0.11 0.00 0.00 0.00 0.00 61.98 64.10 1woi s VAL 63 Cb 0.41 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1woi s VAL 63 CO -0.03 0.07 1.09 -2.16 0.00 0.00 0.00 175.10 174.07 1woi s PRO 64 N 1.67 2.07 0.95 2.72 0.04 -1.26 -4.71 135.00 136.48 1woi s PRO 64 Ca 0.46 0.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.12 1woi s PRO 64 Cb -0.18 -1.91 0.20 0.00 0.04 0.00 0.00 34.50 32.65 1woi s PRO 64 CO 0.19 -1.66 1.31 -1.25 0.04 0.00 0.00 177.00 175.63 1woi s PRO 65 N -5.07 0.68 -0.10 0.56 0.04 -1.26 -5.11 135.00 124.73 1woi s PRO 65 Ca 0.61 -0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.20 1woi s PRO 65 Cb -0.15 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1woi s PRO 65 CO 0.55 -2.37 -0.15 -0.06 0.04 0.00 0.00 177.00 175.01 1woi s PHE 66 N -3.85 1.89 -0.33 0.56 0.40 -0.54 -4.97 117.98 111.13 1woi s PHE 66 Ca 0.74 -0.86 -0.09 0.00 -0.60 0.00 0.00 56.93 56.12 1woi s PHE 66 Cb -0.04 -1.37 0.02 0.00 0.51 0.00 0.00 43.02 42.14 1woi s PHE 66 CO 0.53 -0.44 0.15 0.99 0.70 0.00 0.00 175.22 177.14 1woi s THR 67 N 0.93 4.33 0.68 0.64 2.01 -1.26 -0.41 115.64 122.56 1woi s THR 67 Ca -0.08 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.06 1woi s THR 67 Cb -0.15 -3.33 0.16 0.00 0.01 0.00 0.00 72.50 69.20 1woi s THR 67 CO -0.00 -0.08 0.79 0.61 -0.69 0.00 0.00 174.62 175.25 1woi n GLY 68 N 4.94 -1.84 0.32 4.40 0.00 -0.26 -4.86 105.19 107.88 1woi n GLY 68 Ca -0.13 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.34 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 0.45 0.00 0.99 5.85 -1.98 -0.78 115.31 119.84 1woi h LEU 69 Ca -0.27 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1woi h LEU 69 Cb 0.77 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1woi h LEU 69 CO 0.19 0.31 0.00 -0.90 -0.34 0.00 0.00 178.44 177.70 1woi n ASP 70 N -4.47 0.00 0.00 1.25 5.68 -1.26 -4.87 116.55 112.87 1woi n ASP 70 Ca 0.05 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.45 1woi n ASP 70 Cb 0.15 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 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 0.63 1.01 3.87 6.12 0.00 -0.30 -5.03 105.19 111.49 1woi n GLY 71 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 3.78 -0.08 1.61 1.02 -1.26 -4.81 119.74 119.87 1woi s LYS 72 Ca 0.00 0.20 -0.02 0.00 0.02 0.00 0.00 55.97 56.17 1woi s LYS 72 Cb 0.00 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1woi s LYS 72 CO 0.00 0.51 0.02 0.99 -0.92 0.00 0.00 175.35 175.95 1woi s THR 73 N -1.49 4.46 0.11 2.17 2.01 -1.26 -1.11 115.64 120.53 1woi s THR 73 Ca 0.37 -0.23 0.09 0.00 0.31 0.00 0.00 61.69 62.23 1woi s THR 73 Cb -0.14 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1woi s THR 73 CO 0.19 0.58 -0.24 -0.13 -0.69 0.00 0.00 174.62 174.33 1woi s ARG 74 N -0.99 1.32 -0.88 4.92 0.52 0.45 -4.68 118.95 119.61 1woi s ARG 74 Ca 0.14 -1.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1woi s ARG 74 Cb -0.11 -1.67 0.00 0.00 0.52 0.00 0.00 34.95 33.68 1woi s ARG 74 CO 0.04 0.40 0.00 1.28 0.02 0.00 0.00 175.30 177.04 1woi n LEU 75 N 1.11 -0.56 -4.69 2.53 4.77 -1.26 -1.47 117.00 117.43 1woi n LEU 75 Ca -0.18 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1woi n LEU 75 Cb 0.53 -1.54 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1woi n LEU 75 CO 0.23 -0.49 1.20 -1.58 -1.33 0.00 0.00 177.39 175.42 1woi s GLN 76 N -2.58 4.25 0.00 3.23 2.00 -1.26 -2.11 119.66 123.18 1woi s GLN 76 Ca 0.00 2.12 0.00 0.00 -2.00 0.00 0.00 55.36 55.48 1woi s GLN 76 Cb 0.00 -3.55 0.00 0.00 0.80 0.00 0.00 33.01 30.26 1woi s GLN 76 CO 0.00 -0.63 0.00 0.41 -0.50 0.00 0.00 175.29 174.57 1woi n GLY 77 N 3.77 1.54 3.66 2.59 0.00 -1.26 -5.00 105.19 110.50 1woi n GLY 77 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.67 4.71 0.27 1.61 1.01 -0.90 -5.02 120.40 118.42 1woi s VAL 78 Ca 0.00 1.94 -0.17 0.00 0.00 0.00 0.00 61.98 63.75 1woi s VAL 78 Cb 0.00 -4.27 -0.09 0.00 0.00 0.00 0.00 36.38 32.02 1woi s VAL 78 CO 0.00 -0.15 0.72 0.42 0.00 0.00 0.00 175.10 176.09 1woi s THR 79 N 3.10 4.64 0.16 3.92 -4.23 -1.26 -4.96 115.64 117.00 1woi s THR 79 Ca 0.42 1.07 0.08 0.00 -1.18 0.00 0.00 61.69 62.09 1woi s THR 79 Cb -0.15 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1woi s THR 79 CO 0.07 -0.01 -0.18 -0.36 -0.54 0.00 0.00 174.62 173.60 1woi s PHE 80 N -1.77 1.75 -0.02 3.99 0.40 -1.26 -1.28 117.98 119.78 1woi s PHE 80 Ca 0.49 -0.48 -0.10 0.00 -0.60 0.00 0.00 56.93 56.24 1woi s PHE 80 Cb -0.13 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.53 1woi s PHE 80 CO 0.19 0.29 0.21 0.00 0.70 0.00 0.00 175.22 176.62 1woi s ALA 81 N -2.04 -0.53 -0.28 5.36 0.00 -0.34 -4.27 121.76 119.66 1woi s ALA 81 Ca 0.14 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1woi s ALA 81 Cb -0.06 -0.00 0.06 0.00 0.00 0.00 0.00 23.12 23.12 1woi s ALA 81 CO 0.06 -0.21 -0.07 0.34 0.00 0.00 0.00 175.76 175.89 1woi s ASP 82 N -1.05 4.60 -0.03 0.00 -1.08 -0.47 -1.02 116.67 117.62 1woi s ASP 82 Ca -0.11 -1.41 0.04 0.00 -0.52 0.00 0.00 52.55 50.54 1woi s ASP 82 Cb -0.06 -1.60 0.16 0.00 -1.46 0.00 0.00 42.92 39.96 1woi s ASP 82 CO 0.02 -0.22 0.92 0.00 0.52 0.00 0.00 175.17 176.41 1woi n ALA 83 N 4.48 2.66 -0.40 3.66 0.00 0.29 -0.92 120.51 130.27 1woi n ALA 83 Ca -0.13 -0.36 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 18.86 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 0.41 -0.02 3.56 0.00 0.00 -1.26 -4.22 105.19 103.66 1woi n GLY 84 Ca 0.06 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.85 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 4.17 0.20 1.61 1.01 -1.26 -0.75 116.67 117.65 1woi s ASP 85 Ca 0.00 -0.64 -0.30 0.00 0.71 0.00 0.00 52.55 52.31 1woi s ASP 85 Cb 0.00 -0.67 -0.09 0.00 1.01 0.00 0.00 42.92 43.17 1woi s ASP 85 CO 0.00 0.09 1.36 -0.69 0.21 0.00 0.00 175.17 176.14 1woi s VAL 86 N -1.84 3.05 -0.64 -1.27 1.01 -0.03 -4.89 120.40 115.79 1woi s VAL 86 Ca 0.26 0.85 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 1woi s VAL 86 Cb -0.08 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.78 1woi s VAL 86 CO 0.15 0.12 1.30 -0.63 0.00 0.00 0.00 175.10 176.04 1woi s ILE 87 N 0.24 3.82 0.20 2.22 1.01 -1.26 -4.80 121.20 122.64 1woi s ILE 87 Ca 0.59 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.78 1woi s ILE 87 Cb -0.38 -4.71 -0.07 0.00 0.01 0.00 0.00 42.46 37.31 1woi s ILE 87 CO 0.38 -1.50 0.51 -0.76 0.00 0.00 0.00 174.94 173.58 1woi s LEU 88 N 5.66 4.20 0.79 2.97 1.43 -1.26 -5.00 118.68 127.48 1woi s LEU 88 Ca 0.43 0.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.34 1woi s LEU 88 Cb -0.09 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 42.73 1woi s LEU 88 CO 0.21 -0.03 1.09 -2.16 0.23 0.00 0.00 176.35 175.69 1woi s PRO 89 N -2.69 1.37 0.05 1.29 0.04 -1.26 -5.06 135.00 128.73 1woi s PRO 89 Ca 0.45 -0.91 -0.14 0.00 0.04 0.00 0.00 61.00 60.44 1woi s PRO 89 Cb -0.12 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.18 1woi s PRO 89 CO 0.21 -1.74 0.44 -1.12 0.04 0.00 0.00 177.00 174.84 1woi s SER 90 N -4.79 6.79 0.94 6.66 0.01 -1.26 -4.88 113.70 117.18 1woi s SER 90 Ca 0.69 0.96 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1woi s SER 90 Cb -0.05 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1woi s SER 90 CO 0.47 0.25 0.00 0.18 0.41 0.00 0.00 173.24 174.55 1woi n LEU 91 N 1.44 0.00 -4.05 2.44 4.77 -1.26 -4.87 117.00 115.47 1woi n LEU 91 Ca -0.11 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.43 1woi n LEU 91 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1woi n LEU 91 CO 0.40 0.00 -0.18 -0.62 -1.33 0.00 0.00 177.39 175.66 1woi n GLU 92 N 14.00 -0.42 -0.31 3.23 -0.58 -1.26 -4.75 120.64 130.55 1woi n GLU 92 Ca 0.00 0.11 0.09 0.00 -0.42 0.00 0.00 57.16 56.94 1woi n GLU 92 Cb 0.00 -2.77 0.25 0.00 -0.57 0.00 0.00 31.44 28.35 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 -2.52 0.65 -0.50 3.49 0.13 -1.96 -1.55 132.00 129.74 1woi h PRO 93 Ca -0.71 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.41 1woi h PRO 93 Cb 1.40 -0.15 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1woi h PRO 93 CO 0.53 0.43 0.29 0.37 -0.23 0.00 0.00 178.00 179.39 1woi h GLN 94 N 0.67 0.55 -0.55 0.86 4.15 -2.00 0.77 115.11 119.56 1woi h GLN 94 Ca 0.50 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.84 1woi h GLN 94 Cb 0.72 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.26 1woi h GLN 94 CO -0.37 0.36 0.16 1.25 -1.93 0.00 0.00 178.83 178.30 1woi h LEU 95 N 0.57 0.81 -0.58 -2.39 5.85 -1.73 -1.60 115.31 116.25 1woi h LEU 95 Ca 0.21 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1woi h LEU 95 Cb 0.05 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 1woi h LEU 95 CO -0.11 0.82 0.35 0.00 -0.34 0.00 0.00 178.44 179.16 1woi h ALA 96 N 1.03 0.74 -0.21 1.25 0.00 -0.74 -1.34 119.26 119.99 1woi h ALA 96 Ca 0.18 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1woi h ALA 96 Cb 0.30 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1woi h ALA 96 CO -0.00 0.09 0.03 0.45 0.00 0.00 0.00 179.25 179.82 1woi h HIS 97 N 0.70 0.05 -0.81 0.00 3.86 -0.47 -0.76 115.15 117.72 1woi h HIS 97 Ca 0.23 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1woi h HIS 97 Cb 0.00 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 1woi h HIS 97 CO -0.05 0.01 0.49 -0.44 0.86 0.00 0.00 177.93 178.80 1woi h ASP 98 N 0.11 0.97 -0.07 2.45 3.32 -0.89 -1.05 116.42 121.26 1woi h ASP 98 Ca 0.10 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1woi h ASP 98 Cb 0.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1woi h ASP 98 CO -0.14 0.74 -0.24 0.03 -1.72 0.00 0.00 179.24 177.92 1woi h ARG 99 N 1.11 0.49 -0.25 3.56 3.08 -0.88 -1.79 114.38 119.70 1woi h ARG 99 Ca 0.29 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1woi h ARG 99 Cb -0.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1woi h ARG 99 CO -0.06 0.70 -0.04 0.82 -1.07 0.00 0.00 179.97 180.32 1woi h ILE 100 N 0.43 1.28 -0.41 2.04 2.04 -0.64 -1.71 117.51 120.54 1woi h ILE 100 Ca 0.06 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.88 1woi h ILE 100 Cb 0.66 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1woi h ILE 100 CO 0.05 0.32 0.16 0.74 0.00 0.00 0.00 178.15 179.42 1woi h THR 101 N 0.22 1.20 -0.58 -0.27 2.02 -1.08 -0.64 112.91 113.78 1woi h THR 101 Ca 0.07 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 1woi h THR 101 Cb 0.49 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1woi h THR 101 CO 0.02 0.23 0.22 -0.08 0.37 0.00 0.00 175.52 176.27 1woi h GLU 102 N 0.52 0.89 -0.41 6.66 4.57 -1.29 -0.24 114.58 125.29 1woi h GLU 102 Ca 0.14 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1woi h GLU 102 Cb 0.20 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 1woi h GLU 102 CO -0.01 0.77 -0.03 0.00 -1.18 0.00 0.00 179.01 178.56 1woi h ALA 103 N 1.07 0.56 -0.81 2.92 0.00 -1.24 -2.55 119.26 119.22 1woi h ALA 103 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1woi h ALA 103 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1woi h ALA 103 CO -0.01 0.37 0.53 0.00 0.00 0.00 0.00 179.25 180.14 1woi h ALA 104 N 0.87 1.03 0.18 0.00 0.00 -0.84 -1.34 119.26 119.16 1woi h ALA 104 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1woi h ALA 104 Cb 0.53 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1woi h ALA 104 CO 0.03 0.42 -0.16 0.00 0.00 0.00 0.00 179.25 179.54 1woi h ARG 105 N 1.08 -0.35 -0.96 0.00 3.08 -0.89 -0.02 114.38 116.33 1woi h ARG 105 Ca 0.30 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.37 1woi h ARG 105 Cb -0.11 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1woi h ARG 105 CO -0.07 -0.23 0.58 1.96 -1.07 0.00 0.00 179.97 181.15 1woi h GLN 106 N -0.36 1.30 -0.37 0.04 4.20 -1.24 -1.50 115.11 117.18 1woi h GLN 106 Ca -0.00 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 1woi h GLN 106 Cb 0.33 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1woi h GLN 106 CO -0.03 0.90 -0.17 0.28 -0.67 0.00 0.00 178.83 179.14 1woi h VAL 107 N 1.32 1.28 -0.73 -0.54 2.07 -1.07 -3.09 116.25 115.48 1woi h VAL 107 Ca 0.34 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1woi h VAL 107 Cb -0.07 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 1woi h VAL 107 CO -0.07 0.43 0.46 -0.09 0.02 0.00 0.00 177.57 178.32 1woi h ARG 108 N 0.56 0.87 0.00 1.57 1.12 -0.62 -1.98 114.38 115.88 1woi h ARG 108 Ca 0.08 -0.05 0.00 0.00 -1.11 0.00 0.00 59.98 58.90 1woi h ARG 108 Cb 0.71 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.48 1woi h ARG 108 CO 0.05 0.57 0.00 0.41 -3.11 0.00 0.00 179.97 177.90 1woi n GLY 109 N -1.30 -1.21 0.59 2.80 0.00 -0.60 -3.01 105.19 102.46 1woi n GLY 109 Ca 0.08 0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.07 1.53 -4.26 1.61 1.74 -0.77 -5.02 116.66 109.43 1woi n ARG 110 Ca 0.02 -1.28 -0.16 0.00 -0.77 0.00 0.00 57.85 55.66 1woi n ARG 110 Cb 0.22 -1.32 -0.09 0.00 -1.02 0.00 0.00 32.46 30.24 1woi n ARG 110 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1woi h ARG 112 N 2.38 0.00 -4.33 0.00 2.43 -1.10 -3.46 114.38 110.30 1woi h ARG 112 Ca -0.32 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.26 1woi h ARG 112 Cb 1.24 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.42 1woi h ARG 112 CO 0.48 0.99 -0.79 0.08 -1.51 0.00 0.00 179.97 179.22 1woi s VAL 113 N -2.33 1.39 0.15 0.20 1.01 -0.19 -4.85 120.40 115.79 1woi s VAL 113 Ca -0.26 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.59 1woi s VAL 113 Cb 0.04 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 1woi s VAL 113 CO 0.61 0.05 0.64 -2.16 0.00 0.00 0.00 175.10 174.25 1woi s PRO 114 N 1.49 4.21 -0.20 2.72 0.04 -1.26 -2.63 135.00 139.37 1woi s PRO 114 Ca -0.02 0.78 0.01 0.00 0.04 0.00 0.00 61.00 61.81 1woi s PRO 114 Cb -0.17 -3.04 0.03 0.00 0.04 0.00 0.00 34.50 31.37 1woi s PRO 114 CO -0.07 0.51 -0.16 0.08 0.04 0.00 0.00 177.00 177.39 1woi s VAL 115 N -1.35 2.00 -0.21 -0.36 1.01 0.67 -1.99 120.40 120.17 1woi s VAL 115 Ca 0.37 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 61.15 1woi s VAL 115 Cb -0.18 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1woi s VAL 115 CO 0.21 0.33 0.09 -0.36 0.00 0.00 0.00 175.10 175.36 1woi s PHE 116 N 1.27 3.22 -0.36 5.22 0.40 0.49 -1.00 117.98 127.21 1woi s PHE 116 Ca 0.00 -0.01 -0.10 0.00 -0.60 0.00 0.00 56.93 56.22 1woi s PHE 116 Cb -0.15 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.24 1woi s PHE 116 CO -0.10 0.00 0.18 -0.51 0.70 0.00 0.00 175.22 175.50 1woi s LEU 117 N 0.85 4.60 0.95 -0.37 1.43 -0.42 -0.96 118.68 124.76 1woi s LEU 117 Ca 0.05 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 52.02 1woi s LEU 117 Cb -0.13 -2.00 0.21 0.00 0.03 0.00 0.00 46.19 44.30 1woi s LEU 117 CO 0.03 -0.36 1.30 -0.83 0.23 0.00 0.00 176.35 176.72 1woi s GLY 118 N 1.53 1.80 0.00 -3.19 0.00 0.36 -0.22 107.32 107.60 1woi s GLY 118 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1woi s GLY 118 CO 0.06 -0.57 0.00 0.61 0.00 0.00 0.00 173.10 173.20 1woi n GLY 119 N -3.71 0.12 3.84 0.20 0.00 0.02 -3.40 105.19 102.26 1woi n GLY 119 Ca 0.16 -1.58 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1woi n GLY 119 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1woi s ASP 120 N -1.32 3.33 0.49 1.61 1.47 0.14 -0.98 116.67 121.40 1woi s ASP 120 Ca 0.00 0.67 0.33 0.00 1.18 0.00 0.00 52.55 54.73 1woi s ASP 120 Cb 0.00 -1.02 1.60 0.00 -0.34 0.00 0.00 42.92 43.16 1woi s ASP 120 CO 0.00 -2.63 1.99 -0.74 0.68 0.00 0.00 175.17 174.47 1woi h HIS 121 N -1.56 0.00 -0.00 2.11 -0.00 -1.92 -2.86 115.15 110.92 1woi h HIS 121 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1woi h HIS 121 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.71 1woi h HIS 121 CO -0.43 0.00 0.01 0.66 -0.00 0.00 0.00 177.93 178.17 1woi h SER 122 N 0.00 0.00 0.36 3.26 4.64 -1.89 -1.42 113.55 118.50 1woi h SER 122 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1woi h SER 122 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1woi h SER 122 CO 0.00 0.00 -0.07 -0.37 -0.87 0.00 0.00 176.83 175.52 1woi h VAL 123 N 0.00 0.38 -0.02 0.95 -1.51 -1.86 -2.57 116.25 111.64 1woi h VAL 123 Ca 0.00 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1woi h VAL 123 Cb 0.01 1.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1woi h VAL 123 CO -0.00 0.07 0.01 0.28 -1.23 0.00 0.00 177.57 176.70 1woi h SER 124 N 0.00 0.00 0.68 4.19 0.02 -1.50 -1.86 113.55 115.08 1woi h SER 124 Ca -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1woi h SER 124 Cb 0.27 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.82 1woi h SER 124 CO 0.01 0.00 -0.33 0.22 -1.14 0.00 0.00 176.83 175.59 1woi h TYR 125 N 0.00 -0.85 0.00 3.45 3.20 -1.65 -0.31 116.97 120.81 1woi h TYR 125 Ca 0.01 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 1woi h TYR 125 Cb 0.03 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1woi h TYR 125 CO 0.00 -0.53 -0.07 -1.00 -1.64 0.00 0.00 178.16 174.92 1woi h PRO 126 N -1.18 0.00 -0.06 1.82 0.13 -1.70 -2.25 132.00 128.75 1woi h PRO 126 Ca -0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1woi h PRO 126 Cb 0.70 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 1woi h PRO 126 CO 0.15 0.07 -0.01 -0.07 -0.23 0.00 0.00 178.00 177.91 1woi h LEU 127 N 0.00 0.11 -1.65 1.56 4.07 -1.26 -3.17 115.31 114.98 1woi h LEU 127 Ca -0.00 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 1woi h LEU 127 Cb 0.17 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 1woi h LEU 127 CO 0.01 0.44 0.06 -0.07 -1.08 0.00 0.00 178.44 177.80 1woi h LEU 128 N -0.21 0.26 -2.26 1.67 3.38 -0.46 -2.04 115.31 115.64 1woi h LEU 128 Ca 0.02 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.01 1woi h LEU 128 Cb 0.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1woi h LEU 128 CO 0.01 0.26 0.23 0.03 0.09 0.00 0.00 178.44 179.05 1woi h ARG 129 N 0.29 0.00 0.00 1.13 3.08 -1.45 0.38 114.38 117.81 1woi h ARG 129 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1woi h ARG 129 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 1woi h ARG 129 CO -0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.89 1woi n ALA 130 N -2.20 2.49 -1.18 0.04 0.00 -0.77 -2.89 120.51 116.01 1woi n ALA 130 Ca 0.01 -0.16 0.08 0.00 0.00 0.00 0.00 53.44 53.37 1woi n ALA 130 Cb 0.34 -1.45 0.17 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.09 0.17 0.22 0.00 3.01 0.13 -4.75 117.46 115.15 1woi n PHE 131 Ca 0.19 -1.11 0.15 0.00 1.01 0.00 0.00 57.45 57.69 1woi n PHE 131 Cb 0.13 -0.21 0.79 0.00 -0.01 0.00 0.00 39.48 40.19 1woi n PHE 131 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1woi h ALA 132 N 0.45 1.01 0.00 4.37 0.00 -1.59 -1.84 119.26 121.66 1woi h ALA 132 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1woi h ALA 132 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1woi h ALA 132 CO 0.05 -0.01 -0.61 -0.40 0.00 0.00 0.00 179.25 178.28 1woi n ASP 133 N -2.52 0.57 -4.64 0.00 5.68 -1.26 -4.73 116.55 109.65 1woi n ASP 133 Ca -0.02 -0.22 -0.43 0.00 -0.50 0.00 0.00 54.79 53.63 1woi n ASP 133 Cb 0.05 0.33 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 1woi n ASP 133 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1woi s VAL 134 N -3.05 4.01 0.27 2.12 1.01 -0.70 -4.98 120.40 119.09 1woi s VAL 134 Ca 0.09 1.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1woi s VAL 134 Cb 0.16 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1woi s VAL 134 CO 0.72 -0.32 1.40 -2.16 0.00 0.00 0.00 175.10 174.75 1woi s PRO 135 N 4.14 4.29 -1.34 2.72 0.04 -1.26 -3.35 135.00 140.24 1woi s PRO 135 Ca 0.61 2.28 -0.12 0.00 0.04 0.00 0.00 61.00 63.82 1woi s PRO 135 Cb -0.21 -3.10 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1woi s PRO 135 CO 0.23 -0.36 0.46 -0.25 0.04 0.00 0.00 177.00 177.12 1woi n ASP 136 N 1.86 -1.86 -4.70 6.66 8.00 -1.23 -4.70 116.55 120.57 1woi n ASP 136 Ca 0.05 -1.14 -0.42 0.00 0.71 0.00 0.00 54.79 53.99 1woi n ASP 136 Cb 0.41 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.12 38.99 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 -7.07 4.35 -0.04 0.64 2.96 0.36 -4.29 118.68 115.59 1woi s LEU 137 Ca 0.20 2.25 0.03 0.00 -0.22 0.00 0.00 54.13 56.40 1woi s LEU 137 Cb -0.09 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.99 1woi s LEU 137 CO 0.93 -0.69 -0.11 -1.00 -1.32 0.00 0.00 176.35 174.16 1woi s HIS 138 N 1.68 2.79 -0.11 5.38 3.76 0.32 -1.86 115.29 127.24 1woi s HIS 138 Ca 0.65 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 55.47 1woi s HIS 138 Cb -0.35 -1.63 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 1woi s HIS 138 CO 0.29 0.27 -0.14 0.08 -0.85 0.00 0.00 174.74 174.39 1woi s VAL 139 N -0.82 3.00 -0.29 -0.90 1.01 -0.40 -0.83 120.40 121.17 1woi s VAL 139 Ca 0.13 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 1woi s VAL 139 Cb -0.11 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1woi s VAL 139 CO 0.03 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.03 1woi s VAL 140 N 0.08 3.66 -0.18 2.92 1.01 -0.47 -0.13 120.40 127.28 1woi s VAL 140 Ca -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 1woi s VAL 140 Cb -0.15 -2.92 -0.01 0.00 0.00 0.00 0.00 36.38 33.31 1woi s VAL 140 CO 0.05 0.07 -0.09 -1.58 0.00 0.00 0.00 175.10 173.54 1woi s GLN 141 N 1.44 3.36 -0.24 2.72 0.74 1.00 -1.35 119.66 127.32 1woi s GLN 141 Ca 0.01 -0.66 -0.12 0.00 0.05 0.00 0.00 55.36 54.64 1woi s GLN 141 Cb -0.17 -2.81 -0.05 0.00 1.10 0.00 0.00 33.01 31.07 1woi s GLN 141 CO 0.01 -0.02 0.23 -0.51 -0.55 0.00 0.00 175.29 174.45 1woi s LEU 142 N 0.97 4.09 -0.20 3.68 1.43 -0.48 -0.39 118.68 127.78 1woi s LEU 142 Ca -0.01 0.17 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 1woi s LEU 142 Cb -0.15 -2.21 0.14 0.00 0.03 0.00 0.00 46.19 44.00 1woi s LEU 142 CO -0.01 -0.01 1.07 -0.62 0.23 0.00 0.00 176.35 177.02 1woi s ASP 143 N 1.26 -0.32 0.22 2.29 -1.08 -0.70 -1.20 116.67 117.14 1woi s ASP 143 Ca 0.10 0.38 0.18 0.00 -0.52 0.00 0.00 52.55 52.70 1woi s ASP 143 Cb -0.14 0.31 0.03 0.00 -1.46 0.00 0.00 42.92 41.66 1woi s ASP 143 CO 0.07 -0.26 1.19 0.00 0.52 0.00 0.00 175.17 176.69 1woi h ALA 144 N 2.67 0.68 -3.16 3.66 0.00 -1.74 -2.57 119.26 118.80 1woi h ALA 144 Ca -0.18 -0.42 -0.63 0.00 0.00 0.00 0.00 54.91 53.68 1woi h ALA 144 Cb 1.17 0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.88 1woi h ALA 144 CO 0.27 0.50 -0.72 -1.01 0.00 0.00 0.00 179.25 178.28 1woi s HIS 145 N -3.07 2.68 0.09 0.00 3.76 -1.26 -1.69 115.29 115.81 1woi s HIS 145 Ca 0.01 -0.20 -0.13 0.00 -0.15 0.00 0.00 55.06 54.60 1woi s HIS 145 Cb 0.08 -1.33 -0.18 0.00 1.11 0.00 0.00 32.58 32.25 1woi s HIS 145 CO 0.76 0.49 1.26 1.25 -0.85 0.00 0.00 174.74 177.65 1woi h LEU 146 N 3.09 0.93 -1.62 0.89 5.85 -1.96 -3.48 115.31 119.01 1woi h LEU 146 Ca -0.47 -0.66 -0.41 0.00 0.84 0.00 0.00 57.88 57.17 1woi h LEU 146 Cb 1.19 -0.28 0.06 0.00 0.37 0.00 0.00 40.66 42.01 1woi h LEU 146 CO 0.54 1.46 -0.81 0.47 -0.34 0.00 0.00 178.44 179.77 1woi n ASP 147 N -3.90 -1.98 -0.29 1.25 8.00 -1.26 -4.89 116.55 113.48 1woi n ASP 147 Ca -0.09 -0.77 0.07 0.00 0.71 0.00 0.00 54.79 54.71 1woi n ASP 147 Cb 0.80 -4.24 0.12 0.00 -0.02 0.00 0.00 41.12 37.78 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 -4.34 0.00 -2.28 1.24 7.35 -1.09 -2.90 117.46 115.45 1woi n PHE 148 Ca -0.24 -0.86 -0.39 0.00 -0.76 0.00 0.00 57.45 55.20 1woi n PHE 148 Cb 0.65 -0.15 -0.02 0.00 0.35 0.00 0.00 39.48 40.31 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 -2.26 3.11 -0.07 -2.13 2.01 -0.27 -4.57 115.64 111.46 1woi s THR 149 Ca 0.27 0.99 -0.01 0.00 0.31 0.00 0.00 61.69 63.25 1woi s THR 149 Cb 0.24 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 69.16 1woi s THR 149 CO 0.00 0.15 0.07 -0.78 -0.69 0.00 0.00 174.62 173.36 1woi h ASP 150 N 2.96 -0.04 -4.20 3.53 3.58 -1.93 -3.37 116.42 116.95 1woi h ASP 150 Ca -0.48 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 56.48 1woi h ASP 150 Cb 1.23 0.01 -0.29 0.00 1.72 0.00 0.00 39.33 42.00 1woi h ASP 150 CO 0.64 0.32 -0.81 -0.89 -2.88 0.00 0.00 179.24 175.61 1woi s THR 151 N -1.57 1.14 -0.07 2.25 2.01 -1.26 -4.58 115.64 113.56 1woi s THR 151 Ca -0.01 -0.61 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 1woi s THR 151 Cb 0.00 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.59 1woi s THR 151 CO 0.02 0.32 0.16 -0.60 -0.69 0.00 0.00 174.62 173.84 1woi s ARG 152 N -0.31 0.15 -1.59 4.92 3.52 -0.87 -4.89 118.95 119.88 1woi s ARG 152 Ca 0.05 0.32 -0.08 0.00 -0.13 0.00 0.00 55.73 55.89 1woi s ARG 152 Cb -0.06 -0.04 0.07 0.00 -1.56 0.00 0.00 34.95 33.36 1woi s ARG 152 CO -0.00 -0.10 0.38 0.09 -0.81 0.00 0.00 175.30 174.86 1woi n ASN 153 N 3.63 -0.74 -1.78 -2.12 4.13 -1.26 -1.24 115.26 115.88 1woi n ASN 153 Ca -0.20 -1.14 -0.18 0.00 1.68 0.00 0.00 54.58 54.75 1woi n ASN 153 Cb 0.55 -2.29 -0.04 0.00 -1.54 0.00 0.00 39.78 36.47 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 -2.81 -5.23 -3.99 6.41 8.00 -1.26 -5.01 116.55 112.67 1woi n ASP 154 Ca -0.17 0.18 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 1woi n ASP 154 Cb 0.61 -4.31 -0.10 0.00 -0.02 0.00 0.00 41.12 37.30 1woi n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woi s THR 155 N -2.81 0.14 -1.00 -3.53 -1.32 -0.37 -5.02 115.64 101.73 1woi s THR 155 Ca 0.00 -1.12 0.22 0.00 -1.21 0.00 0.00 61.69 59.58 1woi s THR 155 Cb 0.00 -0.65 -0.17 0.00 -1.51 0.00 0.00 72.50 70.18 1woi s THR 155 CO 0.00 -0.62 1.03 0.29 -2.21 0.00 0.00 174.62 173.12 1woi n LYS 156 N 1.13 0.00 -0.55 7.08 4.76 -1.26 -2.04 118.16 127.28 1woi n LYS 156 Ca -0.21 -0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.31 1woi n LYS 156 Cb 0.57 -1.50 0.31 0.00 -1.84 0.00 0.00 35.03 32.57 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 -1.50 1.30 -1.25 2.13 7.02 -1.26 -4.79 117.44 119.08 1woi n TRP 157 Ca 0.04 -0.66 -0.30 0.00 -1.02 0.00 0.00 57.50 55.56 1woi n TRP 157 Cb 0.33 -0.26 0.13 0.00 -2.42 0.00 0.00 31.31 29.10 1woi n TRP 157 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1woi s SER 158 N -1.12 3.64 0.00 -0.99 1.04 -1.26 -4.85 113.70 110.17 1woi s SER 158 Ca 0.46 1.47 0.12 0.00 0.48 0.00 0.00 55.95 58.48 1woi s SER 158 Cb 0.31 -2.16 0.63 0.00 0.10 0.00 0.00 66.02 64.90 1woi s SER 158 CO 0.19 -2.53 1.24 -0.46 0.98 0.00 0.00 173.24 172.67 1woi n ASN 159 N -3.81 0.00 -0.58 7.02 6.94 -1.17 -2.34 115.26 121.32 1woi n ASN 159 Ca 0.07 -0.02 0.13 0.00 -0.02 0.00 0.00 54.58 54.75 1woi n ASN 159 Cb 0.55 -0.21 0.43 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 -1.21 1.81 0.00 0.53 7.64 -1.26 -1.61 113.62 119.52 1woi n SER 160 Ca 0.06 -1.61 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1woi n SER 160 Cb 0.08 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.41 0.95 -0.26 6.43 7.64 -0.99 -1.12 113.62 126.69 1woi n SER 161 Ca 0.18 -1.16 0.07 0.00 1.01 0.00 0.00 58.87 58.98 1woi n SER 161 Cb 0.40 0.00 0.21 0.00 -1.01 0.00 0.00 64.21 63.81 1woi n SER 161 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1woi h PRO 162 N 0.00 0.29 0.00 1.43 0.13 -1.70 -0.45 132.00 131.69 1woi h PRO 162 Ca 0.00 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 1woi h PRO 162 Cb 0.20 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 1woi h PRO 162 CO 0.00 0.19 -0.37 0.74 -0.23 0.00 0.00 178.00 178.33 1woi h PHE 163 N 0.29 0.00 -0.09 1.56 -1.00 -1.86 -1.00 116.94 114.83 1woi h PHE 163 Ca 0.45 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 61.15 1woi h PHE 163 Cb 0.79 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.35 1woi h PHE 163 CO -0.24 0.37 -0.26 -0.09 -1.61 0.00 0.00 178.31 176.47 1woi h ARG 164 N 0.00 0.34 -0.86 1.51 9.65 -1.44 -1.42 114.38 122.16 1woi h ARG 164 Ca -0.00 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.60 1woi h ARG 164 Cb 1.09 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.67 1woi h ARG 164 CO 0.05 0.86 0.42 0.00 2.80 0.00 0.00 179.97 184.10 1woi h ARG 165 N -0.12 1.24 -0.22 0.20 2.47 -1.06 -2.46 114.38 114.44 1woi h ARG 165 Ca -0.01 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 1woi h ARG 165 Cb 0.88 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 1woi h ARG 165 CO 0.06 0.94 0.05 0.00 0.56 0.00 0.00 179.97 181.58 1woi h ALA 166 N 1.23 0.29 -0.44 0.04 0.00 -1.13 -2.76 119.26 116.48 1woi h ALA 166 Ca 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1woi h ALA 166 Cb 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1woi h ALA 166 CO -0.04 -0.06 0.20 0.00 0.00 0.00 0.00 179.25 179.36 1woi n GLU 168 N -4.65 0.05 -0.00 0.00 0.28 -0.94 -2.67 120.64 112.71 1woi n GLU 168 Ca 0.01 0.26 0.07 0.00 -0.16 0.00 0.00 57.16 57.34 1woi n GLU 168 Cb 0.12 -1.59 -0.10 0.00 1.43 0.00 0.00 31.44 31.29 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 -1.57 3.13 -3.80 -1.84 0.00 -0.88 -4.85 120.51 110.69 1woi n ALA 169 Ca 0.04 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 1woi n ALA 169 Cb 0.22 -0.52 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 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 -3.47 3.17 0.63 0.00 1.43 0.65 -4.95 118.68 116.13 1woi s LEU 170 Ca -0.01 -2.46 0.42 0.00 -1.03 0.00 0.00 54.13 51.05 1woi s LEU 170 Cb 0.10 -1.19 2.15 0.00 0.03 0.00 0.00 46.19 47.29 1woi s LEU 170 CO 0.61 -0.30 2.26 1.55 0.23 0.00 0.00 176.35 180.70 1woi h PRO 171 N 7.05 0.00 0.00 1.29 0.13 -1.87 -0.81 132.00 137.78 1woi h PRO 171 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1woi h PRO 171 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1woi h PRO 171 CO 0.52 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.56 1woi n ASN 172 N -3.05 0.13 -4.49 1.44 6.94 -1.26 -4.41 115.26 110.56 1woi n ASN 172 Ca -0.02 0.52 -0.43 0.00 -0.02 0.00 0.00 54.58 54.63 1woi n ASN 172 Cb 0.12 -0.55 -0.03 0.00 -2.36 0.00 0.00 39.78 36.96 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 -3.25 4.32 0.05 -4.53 0.20 -0.31 -0.49 118.68 114.68 1woi s LEU 173 Ca 0.12 -1.55 0.25 0.00 0.69 0.00 0.00 54.13 53.63 1woi s LEU 173 Cb 0.16 -2.47 0.41 0.00 -0.43 0.00 0.00 46.19 43.87 1woi s LEU 173 CO 0.48 -1.33 1.35 1.33 -0.29 0.00 0.00 176.35 177.90 1woi n VAL 174 N 6.06 0.16 -3.59 1.68 0.24 -0.78 -4.94 118.33 117.16 1woi n VAL 174 Ca 0.20 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.22 1woi n VAL 174 Cb 0.49 0.07 -0.07 0.00 -1.47 0.00 0.00 33.84 32.87 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 -3.09 -0.68 -0.06 6.34 5.65 -1.21 -4.90 115.29 117.34 1woi s HIS 175 Ca 0.08 1.50 0.02 0.00 0.25 0.00 0.00 55.06 56.91 1woi s HIS 175 Cb 0.16 0.34 0.02 0.00 -1.18 0.00 0.00 32.58 31.91 1woi s HIS 175 CO 0.71 -0.43 -0.10 0.42 -0.65 0.00 0.00 174.74 174.70 1woi s ILE 176 N -0.22 0.95 -0.27 0.89 1.01 -1.26 -1.27 121.20 121.02 1woi s ILE 176 Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 1woi s ILE 176 Cb -0.03 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.58 1woi s ILE 176 CO 0.03 0.31 -0.02 -0.89 0.00 0.00 0.00 174.94 174.37 1woi s THR 177 N 0.74 3.09 -0.20 2.92 2.01 0.81 -0.92 115.64 124.09 1woi s THR 177 Ca -0.14 -1.08 -0.05 0.00 0.31 0.00 0.00 61.69 60.74 1woi s THR 177 Cb -0.15 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 1woi s THR 177 CO 0.03 0.08 -0.00 -0.89 -0.69 0.00 0.00 174.62 173.15 1woi s THR 178 N 1.33 3.93 -0.04 -0.82 2.01 -0.16 -0.00 115.64 121.89 1woi s THR 178 Ca -0.01 -0.32 0.06 0.00 0.31 0.00 0.00 61.69 61.73 1woi s THR 178 Cb -0.18 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.55 1woi s THR 178 CO -0.02 0.43 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.43 1woi s VAL 179 N 1.02 1.80 0.00 3.82 1.01 0.47 -0.29 120.40 128.23 1woi s VAL 179 Ca 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1woi s VAL 179 Cb -0.14 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1woi s VAL 179 CO 0.02 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1woi n GLY 180 N 2.91 0.68 3.65 4.51 0.00 -0.48 -1.72 105.19 114.75 1woi n GLY 180 Ca -0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1woi n GLY 180 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1woi n LEU 181 N 0.00 2.74 -3.63 0.99 4.77 -0.97 -4.10 117.00 116.79 1woi n LEU 181 Ca 0.00 1.19 -0.04 0.00 -0.03 0.00 0.00 56.01 57.13 1woi n LEU 181 Cb 0.00 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 39.69 1woi n LEU 181 CO 0.00 -0.86 0.83 0.00 -1.33 0.00 0.00 177.39 176.03 1woi s ARG 182 N -1.48 0.79 0.00 3.23 1.70 -0.68 -0.94 118.95 121.57 1woi s ARG 182 Ca 0.59 -0.39 0.00 0.00 -0.47 0.00 0.00 55.73 55.47 1woi s ARG 182 Cb -0.64 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.04 1woi s ARG 182 CO 0.59 -0.35 0.00 0.41 -1.08 0.00 0.00 175.30 174.87 1woi n GLY 183 N -0.36 2.93 0.12 3.88 0.00 -1.26 -4.71 105.19 105.80 1woi n GLY 183 Ca -0.06 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 43.80 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 0.45 -8.94 0.99 3.38 -2.02 -3.46 115.31 105.71 1woi h LEU 184 Ca 0.00 -0.65 -0.64 0.00 0.09 0.00 0.00 57.88 56.68 1woi h LEU 184 Cb 0.00 -0.15 -0.20 0.00 0.09 0.00 0.00 40.66 40.40 1woi h LEU 184 CO 0.00 1.54 -0.66 -0.60 0.09 0.00 0.00 178.44 178.81 1woi s ARG 185 N -2.60 3.53 -0.00 1.13 3.52 -1.26 -5.10 118.95 118.16 1woi s ARG 185 Ca -0.11 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 1woi s ARG 185 Cb 0.06 -2.89 -0.00 0.00 -1.56 0.00 0.00 34.95 30.56 1woi s ARG 185 CO 0.85 0.34 -0.04 -0.06 -0.81 0.00 0.00 175.30 175.58 1woi s PHE 186 N 0.11 0.35 -0.48 5.12 0.40 -1.26 -5.08 117.98 117.14 1woi s PHE 186 Ca -0.00 -0.07 -0.28 0.00 -0.60 0.00 0.00 56.93 55.98 1woi s PHE 186 Cb -0.13 -0.23 -0.01 0.00 0.51 0.00 0.00 43.02 43.16 1woi s PHE 186 CO 0.03 -0.01 1.69 0.34 0.70 0.00 0.00 175.22 177.97 1woi s ASP 187 N -0.10 5.79 0.33 1.36 -1.08 -1.26 -4.87 116.67 116.84 1woi s ASP 187 Ca 0.01 0.73 0.05 0.00 -0.52 0.00 0.00 52.55 52.82 1woi s ASP 187 Cb -0.02 -2.53 0.69 0.00 -1.46 0.00 0.00 42.92 39.60 1woi s ASP 187 CO -0.00 -1.89 1.89 1.55 0.52 0.00 0.00 175.17 177.24 1woi h PRO 188 N 12.92 0.81 -0.62 4.34 0.13 -1.83 -1.36 132.00 146.39 1woi h PRO 188 Ca -0.29 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1woi h PRO 188 Cb 1.14 -0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.06 1woi h PRO 188 CO 1.13 0.54 0.18 1.49 -0.23 0.00 0.00 178.00 181.10 1woi h GLU 189 N 0.84 0.97 -0.42 0.86 4.22 -1.64 -1.57 114.58 117.83 1woi h GLU 189 Ca 0.41 -0.22 -0.07 0.00 0.08 0.00 0.00 59.36 59.57 1woi h GLU 189 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1woi h GLU 189 CO -0.18 0.86 -0.01 0.00 -2.18 0.00 0.00 179.01 177.50 1woi h ALA 190 N 1.06 0.57 -0.18 2.92 0.00 -1.60 -0.65 119.26 121.38 1woi h ALA 190 Ca 0.20 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1woi h ALA 190 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1woi h ALA 190 CO -0.00 0.36 0.11 0.28 0.00 0.00 0.00 179.25 180.00 1woi h VAL 191 N 0.58 1.07 -0.41 0.00 2.07 -1.15 0.36 116.25 118.77 1woi h VAL 191 Ca 0.12 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1woi h VAL 191 Cb 0.50 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1woi h VAL 191 CO 0.02 0.07 0.19 0.00 0.02 0.00 0.00 177.57 177.87 1woi h ALA 192 N 1.03 0.53 -0.88 1.67 0.00 -1.21 -1.63 119.26 118.77 1woi h ALA 192 Ca 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1woi h ALA 192 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1woi h ALA 192 CO -0.01 0.09 0.50 0.00 0.00 0.00 0.00 179.25 179.83 1woi h ALA 193 N 1.04 1.23 -0.06 0.00 0.00 -0.87 -0.64 119.26 119.96 1woi h ALA 193 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1woi h ALA 193 Cb 0.12 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1woi h ALA 193 CO -0.02 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 1woi h ALA 194 N 1.33 0.08 -0.82 0.00 0.00 -0.67 -2.70 119.26 116.49 1woi h ALA 194 Ca 0.31 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1woi h ALA 194 Cb -0.01 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1woi h ALA 194 CO -0.05 -0.22 0.53 0.00 0.00 0.00 0.00 179.25 179.51 1woi h ARG 195 N -0.22 1.03 -0.32 0.00 3.08 -1.14 -1.83 114.38 114.97 1woi h ARG 195 Ca 0.01 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1woi h ARG 195 Cb 0.39 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1woi h ARG 195 CO 0.00 0.68 0.22 0.00 -1.07 0.00 0.00 179.97 179.80 1woi h ALA 196 N 1.32 1.99 -0.21 0.04 0.00 -1.03 -0.78 119.26 120.59 1woi h ALA 196 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1woi h ALA 196 Cb -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1woi h ALA 196 CO -0.09 -0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.65 1woi n ARG 197 N -4.48 1.59 -1.76 0.00 1.74 -0.73 -4.91 116.66 108.12 1woi n ARG 197 Ca 0.03 -0.91 -0.04 0.00 -0.77 0.00 0.00 57.85 56.16 1woi n ARG 197 Cb 0.22 -1.27 -0.01 0.00 -1.02 0.00 0.00 32.46 30.38 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 0.98 0.36 3.86 -0.13 0.00 -0.30 -4.88 105.19 105.07 1woi n GLY 198 Ca 0.12 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.18 3.49 -0.23 1.61 3.76 -0.97 -4.73 115.29 116.04 1woi s HIS 199 Ca 0.00 1.32 -0.08 0.00 -0.15 0.00 0.00 55.06 56.15 1woi s HIS 199 Cb 0.00 -2.69 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 1woi s HIS 199 CO 0.00 -0.37 0.08 0.99 -0.85 0.00 0.00 174.74 174.60 1woi s THR 200 N -2.67 4.55 -0.25 1.30 2.01 -0.10 -4.68 115.64 115.79 1woi s THR 200 Ca 0.56 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.42 1woi s THR 200 Cb -0.10 -3.11 0.01 0.00 0.01 0.00 0.00 72.50 69.30 1woi s THR 200 CO 0.36 0.36 -0.01 -0.63 -0.69 0.00 0.00 174.62 174.01 1woi s ILE 201 N 1.30 3.41 -0.36 1.82 1.01 -1.26 -0.99 121.20 126.14 1woi s ILE 201 Ca 0.05 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.00 1woi s ILE 201 Cb -0.15 -2.67 0.10 0.00 0.01 0.00 0.00 42.46 39.75 1woi s ILE 201 CO 0.04 0.26 0.10 -0.63 0.00 0.00 0.00 174.94 174.71 1woi s ILE 202 N 1.44 2.81 0.73 2.92 1.01 0.61 -4.99 121.20 125.72 1woi s ILE 202 Ca 0.03 -2.05 -0.15 0.00 0.00 0.00 0.00 60.65 58.48 1woi s ILE 202 Cb -0.16 -2.92 0.04 0.00 0.01 0.00 0.00 42.46 39.43 1woi s ILE 202 CO -0.02 -0.54 1.23 -2.84 0.00 0.00 0.00 174.94 172.77 1woi s PRO 203 N 1.07 2.12 0.38 2.79 0.02 -1.26 -1.38 135.00 138.73 1woi s PRO 203 Ca 0.06 1.83 0.06 0.00 0.02 0.00 0.00 61.00 62.98 1woi s PRO 203 Cb -0.21 -1.82 0.77 0.00 0.02 0.00 0.00 34.50 33.26 1woi s PRO 203 CO -0.05 -1.87 2.00 1.98 -0.33 0.00 0.00 177.00 178.73 1woi h MET 204 N -0.23 0.68 -1.00 5.54 1.85 -1.19 -1.28 114.93 119.29 1woi h MET 204 Ca -0.48 -0.04 0.19 0.00 -0.61 0.00 0.00 59.70 58.76 1woi h MET 204 Cb 1.31 -0.15 -0.10 0.00 0.43 0.00 0.00 31.60 33.08 1woi h MET 204 CO 0.50 0.45 0.61 -0.44 -0.40 0.00 0.00 176.91 177.63 1woi h ASP 205 N 0.70 0.78 0.06 1.39 3.32 -1.90 0.12 116.42 120.88 1woi h ASP 205 Ca 0.25 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.28 1woi h ASP 205 Cb 0.11 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1woi h ASP 205 CO -0.07 0.28 -0.36 0.44 -1.72 0.00 0.00 179.24 177.81 1woi h ASP 206 N 0.76 0.43 -0.41 6.45 3.32 -1.58 -0.48 116.42 124.91 1woi h ASP 206 Ca 0.57 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.32 1woi h ASP 206 Cb 0.90 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 1woi h ASP 206 CO -0.37 0.76 -0.23 0.58 -1.72 0.00 0.00 179.24 178.27 1woi h VAL 207 N 0.35 1.27 -0.37 -1.35 2.07 -0.76 -1.80 116.25 115.66 1woi h VAL 207 Ca 0.04 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.07 1woi h VAL 207 Cb 0.80 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1woi h VAL 207 CO 0.06 0.47 -0.19 0.74 0.02 0.00 0.00 177.57 178.68 1woi h THR 208 N 0.79 1.28 -0.43 2.57 2.02 -0.96 -2.91 112.91 115.28 1woi h THR 208 Ca 0.10 -1.31 -0.03 0.00 0.77 0.00 0.00 66.41 65.94 1woi h THR 208 Cb 0.78 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 68.52 1woi h THR 208 CO 0.06 0.43 0.15 0.00 0.37 0.00 0.00 175.52 176.54 1woi h ALA 209 N 0.79 0.56 -0.91 6.16 0.00 -0.99 -3.42 119.26 121.46 1woi h ALA 209 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1woi h ALA 209 Cb 0.73 -0.17 -0.20 0.00 0.00 0.00 0.00 17.79 18.16 1woi h ALA 209 CO 0.06 0.19 -0.38 0.34 0.00 0.00 0.00 179.25 179.46 1woi s ASP 210 N -5.94 -1.44 0.17 0.00 2.15 -0.69 -5.03 116.67 105.89 1woi s ASP 210 Ca -0.13 -0.37 -0.14 0.00 0.43 0.00 0.00 52.55 52.34 1woi s ASP 210 Cb 0.10 1.85 0.10 0.00 -0.30 0.00 0.00 42.92 44.68 1woi s ASP 210 CO 0.76 -0.20 1.80 0.25 -0.17 0.00 0.00 175.17 177.61 1woi h LEU 211 N 7.24 0.42 -1.19 -1.34 7.12 -1.71 -1.88 115.31 123.99 1woi h LEU 211 Ca 0.02 0.01 0.17 0.00 0.13 0.00 0.00 57.88 58.21 1woi h LEU 211 Cb 1.19 -0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 41.16 1woi h LEU 211 CO 0.10 0.30 0.60 0.00 -0.13 0.00 0.00 178.44 179.31 1woi h ALA 212 N 1.24 1.80 -0.54 1.25 0.00 -1.94 0.24 119.26 121.30 1woi h ALA 212 Ca 0.20 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1woi h ALA 212 Cb 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1woi h ALA 212 CO -0.11 -0.10 -0.12 0.78 0.00 0.00 0.00 179.25 179.70 1woi h GLY 213 N 0.72 1.13 1.09 0.00 0.00 -1.73 -2.88 103.07 101.40 1woi h GLY 213 Ca 0.51 -0.93 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1woi h GLY 213 CO -0.27 0.85 0.17 -2.08 0.00 0.00 0.00 176.54 175.21 1woi h VAL 214 N 0.92 1.26 -0.15 4.60 2.07 -0.64 -2.39 116.25 121.92 1woi h VAL 214 Ca 0.14 -0.97 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1woi h VAL 214 Cb 0.70 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1woi h VAL 214 CO 0.05 0.37 -0.05 -0.07 0.02 0.00 0.00 177.57 177.90 1woi h LEU 215 N 1.07 0.20 -0.41 2.57 3.38 -1.14 -0.84 115.31 120.14 1woi h LEU 215 Ca 0.22 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1woi h LEU 215 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1woi h LEU 215 CO 0.00 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1woi n ALA 216 N -2.50 1.87 1.29 1.53 0.00 -0.91 -2.31 120.51 119.48 1woi n ALA 216 Ca -0.01 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1woi n ALA 216 Cb 0.20 -1.40 0.37 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.14 1.27 -2.18 0.00 6.02 -0.33 -4.93 117.38 115.08 1woi n GLN 217 Ca 0.03 -0.81 -0.32 0.00 -0.01 0.00 0.00 57.00 55.89 1woi n GLN 217 Cb 0.29 -1.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 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 -2.29 3.51 0.76 1.08 1.43 -0.98 -5.02 118.68 117.18 1woi s LEU 218 Ca 0.29 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.87 1woi s LEU 218 Cb 0.20 -4.51 0.04 0.00 0.03 0.00 0.00 46.19 41.95 1woi s LEU 218 CO 0.45 -0.85 1.16 -0.81 0.23 0.00 0.00 176.35 176.53 1woi n PRO 219 N -1.93 0.46 -4.00 1.29 -0.04 -1.26 -5.03 135.00 124.48 1woi n PRO 219 Ca 0.07 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.53 1woi n PRO 219 Cb 0.54 -2.40 -0.17 0.00 -0.04 0.00 0.00 33.50 31.42 1woi n PRO 219 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1woi s ARG 220 N -3.77 0.92 -1.41 0.54 0.52 -1.26 -4.75 118.95 109.74 1woi s ARG 220 Ca 0.75 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 1woi s ARG 220 Cb -0.32 -1.05 0.00 0.00 0.52 0.00 0.00 34.95 34.10 1woi s ARG 220 CO 0.48 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.03 1woi n GLY 221 N 4.58 -0.14 3.76 -3.53 0.00 0.31 -4.99 105.19 105.19 1woi n GLY 221 Ca -0.16 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 1woi n GLY 221 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1woi s GLN 222 N -4.68 2.32 -0.34 1.61 -1.52 -1.26 -4.87 119.66 110.92 1woi s GLN 222 Ca 0.00 -1.71 -0.23 0.00 -1.95 0.00 0.00 55.36 51.47 1woi s GLN 222 Cb 0.00 -2.11 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 1woi s GLN 222 CO 0.00 -0.07 0.77 -0.80 -0.25 0.00 0.00 175.29 174.94 1woi s ASN 223 N -3.93 6.58 -0.07 5.90 0.01 -1.26 -0.95 114.94 121.22 1woi s ASN 223 Ca 0.42 0.46 0.04 0.00 -0.71 0.00 0.00 52.86 53.06 1woi s ASN 223 Cb 0.01 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1woi s ASN 223 CO 0.24 -0.67 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.29 1woi s VAL 224 N 3.00 2.69 -0.17 1.60 1.01 0.06 -0.52 120.40 128.07 1woi s VAL 224 Ca 0.31 -0.84 -0.02 0.00 0.00 0.00 0.00 61.98 61.43 1woi s VAL 224 Cb -0.14 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 1woi s VAL 224 CO 0.15 0.57 -0.09 -0.47 0.00 0.00 0.00 175.10 175.25 1woi s TYR 225 N -0.28 2.89 -0.08 5.22 5.04 -0.01 -0.65 117.35 129.48 1woi s TYR 225 Ca 0.01 -0.76 -0.17 0.00 -2.44 0.00 0.00 57.07 53.71 1woi s TYR 225 Cb -0.13 -1.95 -0.05 0.00 0.35 0.00 0.00 41.96 40.18 1woi s TYR 225 CO 0.03 -0.34 0.45 -0.06 -1.34 0.00 0.00 175.55 174.28 1woi s PHE 226 N 0.80 3.59 -0.21 4.97 2.99 -0.22 -1.37 117.98 128.52 1woi s PHE 226 Ca -0.03 0.91 -0.00 0.00 0.00 0.00 0.00 56.93 57.80 1woi s PHE 226 Cb -0.15 -2.46 0.06 0.00 0.00 0.00 0.00 43.02 40.47 1woi s PHE 226 CO 0.01 0.33 -0.03 0.45 -0.00 0.00 0.00 175.22 175.98 1woi s SER 227 N 0.04 3.42 -0.33 1.36 0.15 -0.46 -0.77 113.70 117.11 1woi s SER 227 Ca 0.25 -0.99 -0.06 0.00 0.70 0.00 0.00 55.95 55.84 1woi s SER 227 Cb -0.16 -0.98 0.03 0.00 -1.71 0.00 0.00 66.02 63.21 1woi s SER 227 CO 0.11 -0.24 0.10 -0.69 1.20 0.00 0.00 173.24 173.72 1woi s VAL 228 N 1.56 3.81 -0.29 4.45 1.01 0.64 -1.39 120.40 130.19 1woi s VAL 228 Ca -0.03 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1woi s VAL 228 Cb -0.18 -3.13 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1woi s VAL 228 CO -0.07 -0.14 0.50 -0.62 0.00 0.00 0.00 175.10 174.77 1woi s ASP 229 N 1.42 6.37 0.61 3.32 -1.08 -0.34 -0.71 116.67 126.25 1woi s ASP 229 Ca -0.01 0.32 0.30 0.00 -0.52 0.00 0.00 52.55 52.65 1woi s ASP 229 Cb -0.19 -2.27 1.71 0.00 -1.46 0.00 0.00 42.92 40.71 1woi s ASP 229 CO 0.03 -0.33 2.08 -0.37 0.52 0.00 0.00 175.17 177.10 1woi h VAL 230 N 5.47 0.36 0.00 1.11 -1.51 -1.67 -0.14 116.25 119.87 1woi h VAL 230 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1woi h VAL 230 Cb 1.14 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1woi h VAL 230 CO 0.72 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.16 1woi n ASP 231 N -3.61 0.00 0.18 4.19 5.68 -1.26 -1.40 116.55 120.33 1woi n ASP 231 Ca 0.01 -0.62 0.04 0.00 -0.50 0.00 0.00 54.79 53.73 1woi n ASP 231 Cb 0.34 -0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.62 1woi n ASP 231 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1woi h GLY 232 N 3.09 0.00 -2.01 6.12 0.00 -1.27 -3.36 103.07 105.63 1woi h GLY 232 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 1woi h GLY 232 CO 0.00 0.00 0.31 -1.36 0.00 0.00 0.00 176.54 175.49 1woi s PHE 233 N -3.60 3.42 0.32 5.60 0.40 -0.49 -1.88 117.98 121.75 1woi s PHE 233 Ca -0.00 1.42 -0.29 0.00 -0.60 0.00 0.00 56.93 57.45 1woi s PHE 233 Cb 0.11 -2.73 -0.11 0.00 0.51 0.00 0.00 43.02 40.79 1woi s PHE 233 CO 0.70 -0.24 1.56 -3.47 0.70 0.00 0.00 175.22 174.48 1woi n ASP 234 N -1.23 3.86 0.17 1.36 -0.08 0.62 -4.57 116.55 116.67 1woi n ASP 234 Ca 0.06 1.18 0.16 0.00 -1.51 0.00 0.00 54.79 54.68 1woi n ASP 234 Cb 0.54 -1.61 0.76 0.00 2.34 0.00 0.00 41.12 43.15 1woi n ASP 234 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1woi h PRO 235 N 4.17 0.00 -0.22 -0.67 0.11 -1.77 0.12 132.00 133.73 1woi h PRO 235 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.51 1woi h PRO 235 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1woi h PRO 235 CO 0.74 0.00 -0.35 0.00 -0.21 0.00 0.00 178.00 178.18 1woi h ALA 236 N 1.81 0.99 0.00 -0.75 0.00 -1.95 -1.71 119.26 117.64 1woi h ALA 236 Ca 0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1woi h ALA 236 Cb 0.52 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1woi h ALA 236 CO -0.00 0.61 -0.19 0.28 0.00 0.00 0.00 179.25 179.94 1woi h VAL 237 N 0.40 1.53 -2.93 0.00 2.07 -1.24 -3.42 116.25 112.66 1woi h VAL 237 Ca 0.04 -2.22 -0.61 0.00 0.82 0.00 0.00 66.70 64.73 1woi h VAL 237 Cb 0.80 2.96 -0.41 0.00 -1.52 0.00 0.00 31.29 33.12 1woi h VAL 237 CO 0.07 0.52 -0.67 -0.63 0.02 0.00 0.00 177.57 176.87 1woi s ILE 238 N -2.20 2.27 -0.56 4.57 -1.09 0.10 -4.61 121.20 119.69 1woi s ILE 238 Ca -0.19 -3.84 0.26 0.00 -2.23 0.00 0.00 60.65 54.65 1woi s ILE 238 Cb -0.01 -2.51 0.29 0.00 -1.58 0.00 0.00 42.46 38.65 1woi s ILE 238 CO 0.62 -1.05 1.75 1.55 -1.23 0.00 0.00 174.94 176.59 1woi h PRO 239 N 5.53 0.00 -5.34 2.79 0.13 -1.55 -3.40 132.00 130.16 1woi h PRO 239 Ca 0.16 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.71 1woi h PRO 239 Cb 0.80 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 1woi h PRO 239 CO 0.63 0.00 2.02 0.41 -0.23 0.00 0.00 178.00 180.83 1woi n GLY 240 N 0.83 2.38 3.51 1.56 0.00 -1.26 -4.77 105.19 107.45 1woi n GLY 240 Ca 0.04 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 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 6.17 0.00 0.11 2.61 -1.32 -1.26 -0.65 115.64 121.30 1woi s THR 241 Ca 0.58 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.81 1woi s THR 241 Cb 0.05 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.96 1woi s THR 241 CO 0.08 0.00 1.66 -1.28 -2.21 0.00 0.00 174.62 172.87 1woi h SER 242 N 2.83 -0.52 -3.00 8.08 0.87 -1.78 -3.38 113.55 116.65 1woi h SER 242 Ca -0.27 0.07 -0.61 0.00 -1.23 0.00 0.00 61.79 59.75 1woi h SER 242 Cb 1.16 0.21 -0.41 0.00 -0.44 0.00 0.00 62.40 62.92 1woi h SER 242 CO 0.38 -0.25 -0.68 -0.44 -0.53 0.00 0.00 176.83 175.31 1woi s SER 243 N -4.93 3.94 0.51 6.23 0.01 -1.26 -4.51 113.70 113.69 1woi s SER 243 Ca -0.15 -3.57 -0.20 0.00 1.31 0.00 0.00 55.95 53.34 1woi s SER 243 Cb 0.08 -1.32 -0.07 0.00 0.21 0.00 0.00 66.02 64.92 1woi s SER 243 CO 0.66 -0.12 1.06 -2.16 0.41 0.00 0.00 173.24 173.09 1woi s PRO 244 N -0.96 3.66 -0.06 12.44 0.04 -1.26 -4.98 135.00 143.88 1woi s PRO 244 Ca 0.26 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.72 1woi s PRO 244 Cb -0.04 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.44 1woi s PRO 244 CO -0.16 -0.56 -0.09 -2.00 0.04 0.00 0.00 177.00 174.24 1woi s GLU 245 N -3.31 1.34 0.99 4.56 2.56 -1.26 -5.08 118.70 118.50 1woi s GLU 245 Ca 0.68 -0.27 -0.11 0.00 0.00 0.00 0.00 54.97 55.27 1woi s GLU 245 Cb -0.18 -1.21 0.18 0.00 2.00 0.00 0.00 34.13 34.92 1woi s GLU 245 CO 0.23 -0.06 1.06 -0.35 -0.56 0.00 0.00 175.26 175.58 1woi n PRO 246 N 4.07 -1.01 -3.40 4.30 -0.04 -1.26 -4.30 135.00 133.35 1woi n PRO 246 Ca -0.22 -0.24 -0.18 0.00 -0.04 0.00 0.00 63.50 62.82 1woi n PRO 246 Cb 0.51 -2.29 0.04 0.00 -0.04 0.00 0.00 33.50 31.73 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 -4.26 -6.32 -0.89 3.54 8.00 -1.26 -4.93 116.55 110.43 1woi n ASP 247 Ca 0.09 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.90 1woi n ASP 247 Cb 0.53 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.32 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 -1.55 3.66 3.77 0.44 0.00 -1.26 -4.95 105.19 105.31 1woi n GLY 248 Ca -0.08 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.46 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 4.22 0.71 0.99 1.43 -0.79 -4.18 118.68 121.05 1woi s LEU 249 Ca 0.00 2.42 -0.09 0.00 -1.03 0.00 0.00 54.13 55.44 1woi s LEU 249 Cb 0.00 -3.97 0.05 0.00 0.03 0.00 0.00 46.19 42.29 1woi s LEU 249 CO 0.00 -0.69 1.05 0.42 0.23 0.00 0.00 176.35 177.35 1woi s THR 250 N -1.36 2.74 0.20 5.49 -4.23 -1.26 -0.28 115.64 116.94 1woi s THR 250 Ca 0.56 -0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.97 1woi s THR 250 Cb -0.33 -3.19 0.14 0.00 1.34 0.00 0.00 72.50 70.46 1woi s THR 250 CO 0.41 -0.22 1.85 0.22 -0.54 0.00 0.00 174.62 176.34 1woi h TYR 251 N -0.63 0.81 -0.61 3.99 3.20 -1.97 -2.61 116.97 119.15 1woi h TYR 251 Ca -0.45 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.46 1woi h TYR 251 Cb 1.29 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.26 1woi h TYR 251 CO 0.39 0.47 0.38 0.00 -1.64 0.00 0.00 178.16 177.76 1woi h ALA 252 N 1.29 0.78 -0.29 1.82 0.00 -1.99 -1.40 119.26 119.47 1woi h ALA 252 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1woi h ALA 252 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1woi h ALA 252 CO -0.10 0.14 0.08 1.96 0.00 0.00 0.00 179.25 181.33 1woi h GLN 253 N 0.76 0.46 -0.51 0.00 4.20 -1.87 -0.04 115.11 118.11 1woi h GLN 253 Ca 0.24 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1woi h GLN 253 Cb -0.02 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1woi h GLN 253 CO -0.08 0.52 0.31 0.78 -0.67 0.00 0.00 178.83 179.69 1woi h GLY 254 N 0.31 0.74 1.42 3.46 0.00 -1.33 -1.97 103.07 105.70 1woi h GLY 254 Ca 0.09 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 47.06 1woi h GLY 254 CO -0.00 0.30 0.05 1.98 0.00 0.00 0.00 176.54 178.87 1woi h MET 255 N 0.69 0.72 -0.76 4.80 1.85 -1.10 -1.83 114.93 119.29 1woi h MET 255 Ca 0.18 -0.16 -0.05 0.00 -0.61 0.00 0.00 59.70 59.07 1woi h MET 255 Cb -0.01 -0.10 -0.03 0.00 0.43 0.00 0.00 31.60 31.88 1woi h MET 255 CO -0.03 0.70 0.29 0.87 -0.40 0.00 0.00 176.91 178.34 1woi h LYS 256 N 0.69 1.14 -0.25 0.39 1.57 -0.53 0.16 116.57 119.73 1woi h LYS 256 Ca 0.15 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1woi h LYS 256 Cb 0.35 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1woi h LYS 256 CO 0.01 0.93 -0.01 0.82 -0.57 0.00 0.00 179.45 180.62 1woi h ILE 257 N 1.11 1.26 -0.51 1.86 2.04 -0.90 -0.57 117.51 121.80 1woi h ILE 257 Ca 0.25 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 65.12 1woi h ILE 257 Cb 0.22 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1woi h ILE 257 CO -0.02 0.30 0.14 -0.07 0.00 0.00 0.00 178.15 178.50 1woi h LEU 258 N 0.22 0.76 -0.45 1.44 3.38 -1.13 -1.70 115.31 117.83 1woi h LEU 258 Ca 0.07 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1woi h LEU 258 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1woi h LEU 258 CO 0.02 0.78 0.27 0.00 0.09 0.00 0.00 178.44 179.59 1woi h ALA 259 N 1.01 0.58 -0.15 1.53 0.00 -0.59 0.13 119.26 121.76 1woi h ALA 259 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1woi h ALA 259 Cb 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1woi h ALA 259 CO -0.00 0.08 0.09 0.00 0.00 0.00 0.00 179.25 179.42 1woi h ALA 260 N 1.12 0.19 -0.84 0.00 0.00 -0.90 -1.48 119.26 117.34 1woi h ALA 260 Ca 0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1woi h ALA 260 Cb 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1woi h ALA 260 CO -0.03 -0.30 0.39 0.00 0.00 0.00 0.00 179.25 179.30 1woi h ALA 261 N 1.02 1.09 0.00 0.00 0.00 -1.15 -2.04 119.26 118.18 1woi h ALA 261 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1woi h ALA 261 Cb 0.02 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1woi h ALA 261 CO -0.01 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.86 1woi h ALA 262 N 1.21 1.03 0.00 0.00 0.00 -0.68 -2.24 119.26 118.58 1woi h ALA 262 Ca 0.29 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1woi h ALA 262 Cb 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1woi h ALA 262 CO -0.03 0.06 -0.65 0.00 0.00 0.00 0.00 179.25 178.63 1woi h ALA 263 N 1.95 0.71 -0.06 0.00 0.00 -0.54 -3.37 119.26 117.94 1woi h ALA 263 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1woi h ALA 263 Cb 0.47 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1woi h ALA 263 CO 0.01 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.55 1woi n ASN 264 N -2.92 1.87 -3.96 0.00 3.02 -1.07 -5.00 115.26 107.20 1woi n ASN 264 Ca 0.00 -1.48 -0.14 0.00 -0.03 0.00 0.00 54.58 52.94 1woi n ASN 264 Cb 0.61 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.65 1woi n ASN 264 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1woi s ASN 265 N -0.72 0.57 -0.45 6.41 0.01 -0.87 0.11 114.94 120.01 1woi s ASN 265 Ca 0.10 -1.48 -0.17 0.00 -0.71 0.00 0.00 52.86 50.60 1woi s ASN 265 Cb 0.07 0.43 0.04 0.00 0.41 0.00 0.00 41.25 42.21 1woi s ASN 265 CO 0.10 -0.91 0.43 -0.89 -1.51 0.00 0.00 177.10 174.31 1woi s THR 266 N -3.95 5.14 -0.18 1.60 2.01 -0.12 -4.82 115.64 115.31 1woi s THR 266 Ca 0.39 -0.67 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 1woi s THR 266 Cb 0.06 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.48 1woi s THR 266 CO 0.16 -0.52 1.02 -0.69 -0.69 0.00 0.00 174.62 173.91 1woi s VAL 267 N 1.96 4.72 -0.99 3.82 1.01 -1.26 -0.76 120.40 128.91 1woi s VAL 267 Ca 0.08 2.03 0.19 0.00 0.00 0.00 0.00 61.98 64.28 1woi s VAL 267 Cb -0.20 -4.31 -0.19 0.00 0.00 0.00 0.00 36.38 31.68 1woi s VAL 267 CO 0.10 -0.11 0.83 1.33 0.00 0.00 0.00 175.10 177.26 1woi n VAL 268 N 5.03 0.00 0.00 2.92 0.24 0.17 -4.88 118.33 121.81 1woi n VAL 268 Ca 0.11 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 1woi n VAL 268 Cb 0.47 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.86 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 1.44 0.88 3.40 7.63 0.00 -1.25 -4.29 105.19 113.01 1woi n GLY 269 Ca 0.04 -0.93 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 0.07 0.08 0.99 0.20 -0.84 -1.06 118.68 118.12 1woi s LEU 270 Ca 0.00 0.97 0.07 0.00 0.69 0.00 0.00 54.13 55.85 1woi s LEU 270 Cb 0.00 1.75 -0.03 0.00 -0.43 0.00 0.00 46.19 47.48 1woi s LEU 270 CO 0.00 -0.21 -0.18 1.51 -0.29 0.00 0.00 176.35 177.19 1woi s ASP 271 N 0.14 2.11 -0.22 3.68 1.47 0.05 -0.38 116.67 123.53 1woi s ASP 271 Ca -0.01 -0.62 0.01 0.00 1.18 0.00 0.00 52.55 53.10 1woi s ASP 271 Cb -0.03 -0.11 0.05 0.00 -0.34 0.00 0.00 42.92 42.49 1woi s ASP 271 CO 0.01 0.01 -0.06 -0.22 0.68 0.00 0.00 175.17 175.59 1woi s LEU 272 N -1.70 2.38 0.31 2.11 1.98 -0.14 -0.26 118.68 123.36 1woi s LEU 272 Ca 0.03 -1.05 0.06 0.00 -2.89 0.00 0.00 54.13 50.28 1woi s LEU 272 Cb -0.10 -1.15 -0.06 0.00 0.66 0.00 0.00 46.19 45.54 1woi s LEU 272 CO 0.03 -0.21 -0.03 0.68 -1.89 0.00 0.00 176.35 174.93 1woi s VAL 273 N 1.43 1.65 -0.19 1.68 -7.23 0.11 -0.49 120.40 117.36 1woi s VAL 273 Ca -0.04 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.04 1woi s VAL 273 Cb -0.18 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.14 1woi s VAL 273 CO -0.07 -0.18 0.00 -0.62 -0.31 0.00 0.00 175.10 173.92 1woi n GLU 274 N -0.68 -0.91 -2.41 4.82 -0.58 -0.15 -1.88 120.64 118.85 1woi n GLU 274 Ca -0.05 0.35 -0.41 0.00 -0.42 0.00 0.00 57.16 56.63 1woi n GLU 274 Cb 0.65 -4.11 -0.04 0.00 -0.57 0.00 0.00 31.44 27.37 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 -0.41 4.45 -0.48 -4.62 0.20 -1.26 -4.26 118.68 112.29 1woi s LEU 275 Ca 0.00 2.19 0.03 0.00 0.69 0.00 0.00 54.13 57.04 1woi s LEU 275 Cb 0.00 -3.60 0.14 0.00 -0.43 0.00 0.00 46.19 42.30 1woi s LEU 275 CO 0.00 -0.34 0.29 0.00 -0.29 0.00 0.00 176.35 176.01 1woi s ALA 276 N -0.04 2.43 0.32 5.97 0.00 0.17 -3.68 121.76 126.93 1woi s ALA 276 Ca 0.52 -2.83 0.07 0.00 0.00 0.00 0.00 51.96 49.72 1woi s ALA 276 Cb -0.32 -1.92 0.75 0.00 0.00 0.00 0.00 23.12 21.63 1woi s ALA 276 CO 0.36 -2.05 1.82 -1.35 0.00 0.00 0.00 175.76 174.53 1woi h PRO 277 N 6.39 0.75 0.00 0.00 0.11 -1.81 -0.36 132.00 137.08 1woi h PRO 277 Ca 0.04 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1woi h PRO 277 Cb 0.90 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1woi h PRO 277 CO 0.52 0.49 0.00 -2.95 -0.21 0.00 0.00 178.00 175.86 1woi h ASN 278 N 0.77 0.00 -0.44 -2.05 -1.07 -1.93 -2.35 115.58 108.51 1woi h ASN 278 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.89 1woi h ASN 278 Cb 0.80 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.05 1woi h ASN 278 CO -0.30 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.38 1woi n LEU 279 N -2.85 3.11 -3.49 6.14 4.77 -0.14 -4.64 117.00 119.90 1woi n LEU 279 Ca -0.01 -1.42 -0.29 0.00 -0.03 0.00 0.00 56.01 54.25 1woi n LEU 279 Cb 0.14 -0.29 -0.12 0.00 -2.33 0.00 0.00 43.42 40.82 1woi n LEU 279 CO 0.20 0.71 -0.31 -0.62 -1.33 0.00 0.00 177.39 176.04 1woi s ASP 280 N -1.31 2.91 0.00 -1.43 3.68 -0.88 -4.31 116.67 115.33 1woi s ASP 280 Ca 0.39 -2.32 0.11 0.00 2.13 0.00 0.00 52.55 52.85 1woi s ASP 280 Cb 0.21 -0.48 0.50 0.00 -1.45 0.00 0.00 42.92 41.70 1woi s ASP 280 CO 0.29 -0.29 1.32 -0.81 0.13 0.00 0.00 175.17 175.81 1woi n PRO 281 N 3.87 0.05 0.12 4.34 -0.04 -1.26 -1.78 135.00 140.29 1woi n PRO 281 Ca 0.13 0.27 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1woi n PRO 281 Cb 0.38 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.58 1woi n PRO 281 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1woi h THR 282 N 0.00 0.00 0.00 0.52 1.35 -1.94 -3.47 112.91 109.37 1woi h THR 282 Ca 0.00 -0.65 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1woi h THR 282 Cb 0.16 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 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 1.26 0.68 0.19 5.82 0.00 -0.74 -4.89 105.19 107.51 1woi n GLY 283 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 1woi n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woi h ARG 284 N 1.99 0.07 0.23 1.61 0.11 -1.92 -2.88 114.38 113.59 1woi h ARG 284 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1woi h ARG 284 Cb 0.04 -0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 1woi h ARG 284 CO 0.00 0.45 -0.21 0.77 0.10 0.00 0.00 179.97 181.08 1woi h SER 285 N 0.06 -0.55 0.11 0.08 0.02 -1.89 -0.18 113.55 111.20 1woi h SER 285 Ca 0.00 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 1woi h SER 285 Cb 0.71 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1woi h SER 285 CO 0.05 -0.31 -0.42 1.05 -1.14 0.00 0.00 176.83 176.06 1woi h GLU 286 N -0.46 0.40 -0.23 3.45 9.09 -1.93 -1.62 114.58 123.28 1woi h GLU 286 Ca -0.01 -0.20 -0.01 0.00 0.05 0.00 0.00 59.36 59.19 1woi h GLU 286 Cb 0.42 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1woi h GLU 286 CO -0.03 0.75 0.09 -0.07 0.05 0.00 0.00 179.01 179.80 1woi h LEU 287 N 0.33 0.31 -0.69 3.06 3.38 -1.30 -0.96 115.31 119.45 1woi h LEU 287 Ca 0.03 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1woi h LEU 287 Cb 0.88 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1woi h LEU 287 CO 0.07 0.39 -0.32 -0.07 0.09 0.00 0.00 178.44 178.60 1woi h LEU 288 N 0.22 0.68 -0.50 1.67 4.07 -0.96 -2.60 115.31 117.88 1woi h LEU 288 Ca 0.08 -0.27 -0.13 0.00 0.08 0.00 0.00 57.88 57.63 1woi h LEU 288 Cb 0.18 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.71 1woi h LEU 288 CO -0.01 0.95 -0.63 0.24 -1.08 0.00 0.00 178.44 177.92 1woi h MET 289 N 0.55 0.00 -0.42 1.13 2.86 -1.21 -0.27 114.93 117.58 1woi h MET 289 Ca 0.06 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.57 1woi h MET 289 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 1woi h MET 289 CO 0.07 0.63 -0.27 0.00 1.06 0.00 0.00 176.91 178.40 1woi h ALA 290 N 1.37 0.60 -0.63 6.32 0.00 -1.10 -2.35 119.26 123.47 1woi h ALA 290 Ca -0.01 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1woi h ALA 290 Cb 1.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1woi h ALA 290 CO 0.08 0.62 0.16 -0.09 0.00 0.00 0.00 179.25 180.02 1woi h ARG 291 N 0.75 1.00 -0.90 0.00 2.43 -1.28 -2.19 114.38 114.18 1woi h ARG 291 Ca 0.08 -0.24 0.06 0.00 -0.81 0.00 0.00 59.98 59.08 1woi h ARG 291 Cb 0.85 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 1woi h ARG 291 CO 0.07 0.91 0.57 1.25 -1.51 0.00 0.00 179.97 181.26 1woi h LEU 292 N 0.92 0.90 -0.24 3.80 5.85 -0.81 0.46 115.31 126.20 1woi h LEU 292 Ca 0.20 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1woi h LEU 292 Cb 0.35 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1woi h LEU 292 CO 0.00 0.58 0.05 0.58 -0.34 0.00 0.00 178.44 179.31 1woi h VAL 293 N 1.04 1.22 -0.61 1.05 2.07 -1.14 0.36 116.25 120.24 1woi h VAL 293 Ca 0.39 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1woi h VAL 293 Cb 0.15 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1woi h VAL 293 CO -0.17 0.23 0.12 0.24 0.02 0.00 0.00 177.57 178.01 1woi h MET 294 N 0.20 0.99 -0.45 1.57 2.86 -0.74 -1.27 114.93 118.10 1woi h MET 294 Ca 0.07 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.35 1woi h MET 294 Cb 0.30 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1woi h MET 294 CO 0.00 0.92 -0.14 1.49 1.06 0.00 0.00 176.91 180.24 1woi h GLU 295 N 0.90 0.85 -0.65 1.72 4.81 0.01 -1.31 114.58 120.91 1woi h GLU 295 Ca 0.19 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 1woi h GLU 295 Cb 0.39 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1woi h GLU 295 CO 0.01 0.94 0.34 1.15 -0.73 0.00 0.00 179.01 180.72 1woi h THR 296 N 0.76 1.21 -0.56 0.32 2.02 -0.68 -1.52 112.91 114.45 1woi h THR 296 Ca 0.12 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.74 1woi h THR 296 Cb 0.66 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 1woi h THR 296 CO 0.05 0.23 0.29 -0.07 0.37 0.00 0.00 175.52 176.38 1woi h LEU 297 N 0.89 0.70 -0.43 2.58 3.38 -0.78 -0.20 115.31 121.44 1woi h LEU 297 Ca 0.23 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1woi h LEU 297 Cb 0.06 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1woi h LEU 297 CO -0.03 0.58 0.27 0.00 0.09 0.00 0.00 178.44 179.35 1woi h GLU 299 N 0.55 0.83 -0.25 0.00 4.39 -0.60 -2.31 114.58 117.18 1woi h GLU 299 Ca 0.17 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1woi h GLU 299 Cb -0.02 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1woi h GLU 299 CO -0.06 0.84 0.15 0.28 -1.16 0.00 0.00 179.01 179.05 1woi h VAL 300 N 0.70 1.11 0.00 3.13 2.07 -0.71 -2.52 116.25 120.04 1woi h VAL 300 Ca 0.15 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1woi h VAL 300 Cb 0.42 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1woi h VAL 300 CO 0.01 0.11 0.00 0.49 0.02 0.00 0.00 177.57 178.20 1woi n PHE 301 N -4.86 0.00 0.14 1.57 3.01 -0.54 -2.56 117.46 114.22 1woi n PHE 301 Ca -0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.48 1woi n PHE 301 Cb 0.06 -0.30 0.04 0.00 -0.01 0.00 0.00 39.48 39.27 1woi n PHE 301 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1woi h ASP 302 N 0.00 0.00 -1.76 4.37 3.45 -0.96 -3.35 116.42 118.17 1woi h ASP 302 Ca 0.00 0.00 -0.54 0.00 0.43 0.00 0.00 57.03 56.92 1woi h ASP 302 Cb 0.25 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.61 1woi h ASP 302 CO 0.00 0.40 -0.84 1.41 -1.57 0.00 0.00 179.24 178.64 1woi n HIS 303 N -3.15 2.81 -3.35 4.55 8.25 -1.06 -5.06 115.22 118.20 1woi n HIS 303 Ca 0.01 -3.46 -0.38 0.00 -0.26 0.00 0.00 57.72 53.63 1woi n HIS 303 Cb 0.70 -0.31 -0.06 0.00 1.12 0.00 0.00 29.99 31.43 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 -4.35 5.20 -2.57 1.59 1.01 -1.23 -4.93 120.40 115.11 1woi s VAL 304 Ca 0.44 0.86 0.21 0.00 0.00 0.00 0.00 61.98 63.48 1woi s VAL 304 Cb 0.36 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 33.13 1woi s VAL 304 CO -0.12 0.32 1.15 0.18 0.00 0.00 0.00 175.10 176.63