#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 1.97 -5.17 1.61 -0.04 -1.26 -5.02 135.00 127.10 1woi n PRO 4 Ca 0.00 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 63.85 1woi n PRO 4 Cb 0.00 -2.40 -0.15 0.00 -0.04 0.00 0.00 33.50 30.91 1woi n PRO 4 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1woi s ALA 5 N -1.19 2.24 0.82 0.55 0.00 -1.26 -5.12 121.76 117.79 1woi s ALA 5 Ca 0.61 -1.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.29 1woi s ALA 5 Cb -0.51 -0.57 0.09 0.00 0.00 0.00 0.00 23.12 22.13 1woi s ALA 5 CO 0.58 0.53 1.18 0.72 0.00 0.00 0.00 175.76 178.77 1woi n HIS 6 N 2.25 1.17 -2.57 0.00 8.25 -1.26 -5.03 115.22 118.03 1woi n HIS 6 Ca -0.16 0.40 -0.23 0.00 -0.26 0.00 0.00 57.72 57.47 1woi n HIS 6 Cb 0.51 -2.09 0.04 0.00 1.12 0.00 0.00 29.99 29.57 1woi n HIS 6 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1woi s LEU 7 N -5.60 3.22 0.51 2.41 2.01 -1.26 -4.93 118.68 115.03 1woi s LEU 7 Ca 0.72 0.20 0.25 0.00 0.01 0.00 0.00 54.13 55.31 1woi s LEU 7 Cb -0.29 -3.02 1.35 0.00 0.01 0.00 0.00 46.19 44.25 1woi s LEU 7 CO 0.52 -1.18 1.95 -0.65 1.01 0.00 0.00 176.35 177.99 1woi h PRO 8 N -0.06 0.08 -0.14 1.29 0.11 -1.96 -0.54 132.00 130.78 1woi h PRO 8 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1woi h PRO 8 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1woi h PRO 8 CO 0.55 0.06 0.00 2.48 -0.21 0.00 0.00 178.00 180.88 1woi n TYR 9 N -4.37 0.18 -4.33 0.65 4.11 -1.26 -4.89 117.16 107.26 1woi n TYR 9 Ca 0.13 -0.09 -0.28 0.00 -0.00 0.00 0.00 57.90 57.67 1woi n TYR 9 Cb 0.70 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.93 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 -1.45 1.71 0.00 -7.48 0.00 -0.21 -5.07 107.32 94.82 1woi s GLY 10 Ca 0.28 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1woi s GLY 10 CO 0.22 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1woi n GLY 11 N 0.31 -0.80 3.71 0.20 0.00 -1.26 -4.65 105.19 102.69 1woi n GLY 11 Ca -0.13 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.27 4.30 -0.60 -0.61 -1.09 -1.26 -4.97 121.20 114.71 1woi s ILE 12 Ca 0.00 1.65 -0.27 0.00 -2.23 0.00 0.00 60.65 59.80 1woi s ILE 12 Cb 0.00 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 1woi s ILE 12 CO 0.00 0.11 1.52 -2.16 -1.23 0.00 0.00 174.94 173.18 1woi s PRO 13 N 1.20 3.11 0.14 2.79 0.04 -1.26 -4.94 135.00 136.07 1woi s PRO 13 Ca 0.56 0.40 0.11 0.00 0.04 0.00 0.00 61.00 62.12 1woi s PRO 13 Cb -0.26 -4.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1woi s PRO 13 CO 0.28 -2.18 -0.26 0.95 0.04 0.00 0.00 177.00 175.82 1woi s THR 14 N 6.81 2.28 0.09 1.26 -4.23 -1.26 -4.77 115.64 115.82 1woi s THR 14 Ca 0.54 -1.80 -0.32 0.00 -1.18 0.00 0.00 61.69 58.93 1woi s THR 14 Cb -0.11 -2.02 -0.11 0.00 1.34 0.00 0.00 72.50 71.59 1woi s THR 14 CO 0.22 0.06 1.80 0.33 -0.54 0.00 0.00 174.62 176.49 1woi n PHE 15 N 0.81 2.51 -1.84 3.99 7.35 -1.26 -0.82 117.46 128.19 1woi n PHE 15 Ca -0.17 -0.06 -0.20 0.00 -0.76 0.00 0.00 57.45 56.26 1woi n PHE 15 Cb 0.53 -2.69 -0.06 0.00 0.35 0.00 0.00 39.48 37.61 1woi n PHE 15 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1woi n ALA 16 N 5.45 -0.41 -2.42 3.13 0.00 -1.26 -1.28 120.51 123.71 1woi n ALA 16 Ca 0.19 0.28 -0.17 0.00 0.00 0.00 0.00 53.44 53.73 1woi n ALA 16 Cb 0.35 -2.05 -0.01 0.00 0.00 0.00 0.00 19.45 17.73 1woi n ALA 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1woi n ARG 17 N -2.55 -1.95 -1.79 0.00 0.63 -0.00 -4.67 116.66 106.33 1woi n ARG 17 Ca -0.21 0.83 -0.31 0.00 -0.92 0.00 0.00 57.85 57.23 1woi n ARG 17 Cb 0.67 -5.47 0.03 0.00 0.45 0.00 0.00 32.46 28.14 1woi n ARG 17 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1woi s ALA 18 N -2.86 2.83 0.49 5.13 0.00 -0.41 -4.96 121.76 121.99 1woi s ALA 18 Ca 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 1woi s ALA 18 Cb -0.00 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.90 1woi s ALA 18 CO 0.00 -0.94 1.24 -1.25 0.00 0.00 0.00 175.76 174.81 1woi s PRO 19 N -4.84 3.54 0.14 0.00 0.04 -1.26 -4.53 135.00 128.09 1woi s PRO 19 Ca 0.58 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 63.28 1woi s PRO 19 Cb -0.13 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 1woi s PRO 19 CO 0.50 -0.78 0.90 -1.17 0.04 0.00 0.00 177.00 176.48 1woi s LEU 20 N -3.20 4.54 0.17 -3.56 2.96 -1.26 -1.32 118.68 117.01 1woi s LEU 20 Ca 0.66 1.75 -0.01 0.00 -0.22 0.00 0.00 54.13 56.32 1woi s LEU 20 Cb -0.33 -3.49 -0.04 0.00 0.50 0.00 0.00 46.19 42.83 1woi s LEU 20 CO 0.40 0.04 0.08 0.68 -1.32 0.00 0.00 176.35 176.23 1woi s VAL 21 N -0.46 0.12 -0.12 1.68 -7.23 -0.08 -4.91 120.40 109.39 1woi s VAL 21 Ca 0.42 -1.95 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1woi s VAL 21 Cb -0.23 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1woi s VAL 21 CO 0.29 -0.26 0.14 -1.10 -0.31 0.00 0.00 175.10 173.86 1woi s GLN 22 N -4.08 3.48 0.31 4.82 -1.52 -1.26 -4.12 119.66 117.28 1woi s GLN 22 Ca 0.31 -0.13 0.06 0.00 -1.95 0.00 0.00 55.36 53.65 1woi s GLN 22 Cb 0.07 -3.20 0.84 0.00 -0.22 0.00 0.00 33.01 30.50 1woi s GLN 22 CO 0.07 0.75 1.66 -1.35 -0.25 0.00 0.00 175.29 176.17 1woi h PRO 23 N 5.07 0.26 -0.57 2.91 0.11 -1.94 0.02 132.00 137.86 1woi h PRO 23 Ca -0.54 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.35 1woi h PRO 23 Cb 1.23 -0.06 -0.12 0.00 0.11 0.00 0.00 31.00 32.15 1woi h PRO 23 CO 0.59 0.17 0.17 -0.40 -0.21 0.00 0.00 178.00 178.33 1woi n ASP 24 N -5.15 3.84 -4.51 -2.05 5.75 -1.26 -4.00 116.55 109.17 1woi n ASP 24 Ca 0.25 -3.39 -0.27 0.00 -0.01 0.00 0.00 54.79 51.37 1woi n ASP 24 Cb 0.78 -0.69 0.13 0.00 -1.03 0.00 0.00 41.12 40.31 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 -1.68 1.75 -1.10 6.12 0.00 -0.01 -4.99 107.32 107.41 1woi s GLY 25 Ca 0.50 -1.33 -0.16 0.00 0.00 0.00 0.00 44.72 43.72 1woi s GLY 25 CO 0.08 -0.72 1.34 -0.35 0.00 0.00 0.00 173.10 173.46 1woi s ASP 26 N -4.75 6.86 0.17 1.64 2.15 -1.26 -4.94 116.67 116.53 1woi s ASP 26 Ca 0.68 -2.52 -0.11 0.00 0.43 0.00 0.00 52.55 51.03 1woi s ASP 26 Cb -0.06 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.14 1woi s ASP 26 CO 0.48 -0.94 0.34 -1.66 -0.17 0.00 0.00 175.17 173.23 1woi s TRP 27 N 2.36 0.24 -0.12 -5.34 1.48 -1.26 -5.12 118.94 111.18 1woi s TRP 27 Ca 0.40 -0.60 -0.11 0.00 -1.06 0.00 0.00 56.10 54.73 1woi s TRP 27 Cb -0.03 0.06 0.03 0.00 -1.16 0.00 0.00 33.47 32.38 1woi s TRP 27 CO -0.04 -0.76 0.32 -0.65 -4.06 0.00 0.00 176.95 171.77 1woi s GLN 28 N -3.94 0.36 0.07 3.25 -0.21 -1.26 -4.81 119.66 113.13 1woi s GLN 28 Ca 0.14 0.47 -0.23 0.00 0.02 0.00 0.00 55.36 55.76 1woi s GLN 28 Cb 0.02 0.15 0.06 0.00 1.00 0.00 0.00 33.01 34.24 1woi s GLN 28 CO -0.01 -0.06 0.56 0.00 -2.12 0.00 0.00 175.29 173.65 1woi s ALA 29 N 0.32 -1.44 0.14 6.09 0.00 -0.84 -5.01 121.76 121.01 1woi s ALA 29 Ca -0.01 0.62 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 1woi s ALA 29 Cb -0.03 0.50 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 1woi s ALA 29 CO -0.01 -0.58 1.55 -0.44 0.00 0.00 0.00 175.76 176.28 1woi h ASP 30 N 2.55 0.83 -3.94 0.00 3.32 -1.74 -3.05 116.42 114.39 1woi h ASP 30 Ca -0.31 -0.36 -0.55 0.00 0.02 0.00 0.00 57.03 55.83 1woi h ASP 30 Cb 1.23 -0.23 -0.31 0.00 0.22 0.00 0.00 39.33 40.25 1woi h ASP 30 CO 0.40 1.00 -0.83 -0.69 -1.72 0.00 0.00 179.24 177.40 1woi s VAL 31 N -4.81 1.37 -0.03 -1.35 1.01 -0.36 -0.78 120.40 115.45 1woi s VAL 31 Ca -0.12 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1woi s VAL 31 Cb 0.11 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1woi s VAL 31 CO 0.83 0.40 -0.02 0.00 0.00 0.00 0.00 175.10 176.30 1woi s ALA 32 N -0.00 0.42 -0.04 5.51 0.00 -1.09 -1.29 121.76 125.26 1woi s ALA 32 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 1woi s ALA 32 Cb -0.11 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 1woi s ALA 32 CO 0.02 -0.02 0.15 0.00 0.00 0.00 0.00 175.76 175.90 1woi s ALA 33 N 0.75 3.84 -0.04 0.00 0.00 -0.37 -0.25 121.76 125.70 1woi s ALA 33 Ca -0.08 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.11 1woi s ALA 33 Cb -0.12 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.20 1woi s ALA 33 CO -0.01 0.70 0.07 -1.17 0.00 0.00 0.00 175.76 175.35 1woi s LEU 34 N -1.63 0.99 0.07 0.00 2.96 -0.26 -0.14 118.68 120.68 1woi s LEU 34 Ca 0.23 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1woi s LEU 34 Cb -0.12 0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.63 1woi s LEU 34 CO 0.13 -0.13 0.23 -0.83 -1.32 0.00 0.00 176.35 174.43 1woi s GLY 35 N 1.04 2.20 -0.45 7.98 0.00 0.04 -1.46 107.32 116.67 1woi s GLY 35 Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1woi s GLY 35 CO -0.04 -0.77 0.32 0.14 0.00 0.00 0.00 173.10 172.75 1woi s VAL 36 N -1.52 0.86 -1.14 1.40 1.01 0.16 -0.89 120.40 120.28 1woi s VAL 36 Ca 0.35 -2.69 -0.07 0.00 0.00 0.00 0.00 61.98 59.57 1woi s VAL 36 Cb -0.13 -1.60 -0.08 0.00 0.00 0.00 0.00 36.38 34.58 1woi s VAL 36 CO 0.27 -1.10 2.49 -0.81 0.00 0.00 0.00 175.10 175.96 1woi n PRO 37 N 3.06 2.68 -4.04 2.72 -0.04 -1.26 -3.02 135.00 135.10 1woi n PRO 37 Ca 0.21 -1.70 -0.34 0.00 -0.04 0.00 0.00 63.50 61.64 1woi n PRO 37 Cb 0.42 -2.55 -0.15 0.00 -0.04 0.00 0.00 33.50 31.17 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 2.80 2.88 -0.02 0.54 5.36 -1.26 -4.69 117.98 123.59 1woi s PHE 38 Ca 0.52 -1.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.05 1woi s PHE 38 Cb 0.14 -1.99 0.04 0.00 -0.34 0.00 0.00 43.02 40.87 1woi s PHE 38 CO -0.04 -0.73 0.89 -0.40 -1.46 0.00 0.00 175.22 173.48 1woi n ASP 39 N 4.67 0.40 -0.02 6.13 5.68 -1.26 0.03 116.55 132.17 1woi n ASP 39 Ca -0.19 -1.87 0.16 0.00 -0.50 0.00 0.00 54.79 52.38 1woi n ASP 39 Cb 0.50 -0.16 0.92 0.00 -1.14 0.00 0.00 41.12 41.24 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 -0.20 0.00 1.02 2.12 -5.35 -1.26 -3.49 119.36 112.20 1woi n ILE 40 Ca 0.02 -0.01 0.11 0.00 -0.27 0.00 0.00 62.75 62.60 1woi n ILE 40 Cb 0.62 -0.45 0.01 0.00 -1.74 0.00 0.00 39.64 38.08 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 -0.95 4.08 -1.71 -1.28 0.00 -1.26 -4.96 120.51 114.43 1woi n ALA 41 Ca 0.24 -0.56 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 1woi n ALA 41 Cb 0.13 -0.86 0.01 0.00 0.00 0.00 0.00 19.45 18.73 1woi n ALA 41 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1woi s LEU 42 N -2.80 3.39 0.00 0.00 0.05 -1.23 -2.58 118.68 115.52 1woi s LEU 42 Ca 0.13 1.65 0.23 0.00 0.05 0.00 0.00 54.13 56.18 1woi s LEU 42 Cb 0.17 -4.51 0.33 0.00 -2.05 0.00 0.00 46.19 40.14 1woi s LEU 42 CO 0.72 -1.05 1.33 0.61 -0.55 0.00 0.00 176.35 177.41 1woi n GLY 43 N -1.65 1.44 0.00 -3.48 0.00 -1.26 -4.93 105.19 95.31 1woi n GLY 43 Ca 0.07 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 1.41 0.00 -3.55 1.61 -0.00 -1.26 -5.09 117.46 110.58 1woi n PHE 44 Ca 0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.22 1woi n PHE 44 Cb 0.59 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.97 1woi n PHE 44 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1woi s ARG 45 N 1.01 3.62 0.93 -4.13 0.52 -1.26 -5.08 118.95 114.56 1woi s ARG 45 Ca 0.00 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.54 1woi s ARG 45 Cb 0.00 -3.77 0.15 0.00 0.52 0.00 0.00 34.95 31.85 1woi s ARG 45 CO 0.00 -0.37 1.09 -2.14 0.02 0.00 0.00 175.30 173.90 1woi s PRO 46 N 1.73 1.01 0.00 3.54 0.02 -1.26 -4.47 135.00 135.58 1woi s PRO 46 Ca 0.06 0.85 0.00 0.00 0.02 0.00 0.00 61.00 61.93 1woi s PRO 46 Cb -0.17 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.57 1woi s PRO 46 CO 0.11 -2.42 0.00 0.41 -0.33 0.00 0.00 177.00 174.77 1woi n GLY 47 N -0.89 1.05 0.08 0.52 0.00 -1.26 -4.95 105.19 99.74 1woi n GLY 47 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.15 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 1.13 0.31 4.61 0.00 -1.25 -1.16 120.51 124.15 1woi n ALA 48 Ca 0.00 0.09 0.17 0.00 0.00 0.00 0.00 53.44 53.69 1woi n ALA 48 Cb 0.00 -1.18 0.69 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 -0.02 0.00 0.11 -1.83 -0.23 114.38 112.41 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 0.00 -0.28 1.19 0.10 0.00 0.00 179.97 180.98 1woi n PHE 50 N -2.88 0.00 -0.11 4.08 3.72 -0.31 -4.49 117.46 117.47 1woi n PHE 50 Ca 0.01 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 1woi n PHE 50 Cb 0.26 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 38.74 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 4.00 0.44 -0.58 4.37 0.00 -1.48 -1.77 119.26 124.24 1woi h ALA 51 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.89 1woi h ALA 51 Cb 0.69 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1woi h ALA 51 CO 0.00 0.02 0.15 -1.35 0.00 0.00 0.00 179.25 178.08 1woi h PRO 52 N 0.40 0.29 -0.34 0.00 0.11 -1.76 0.32 132.00 131.02 1woi h PRO 52 Ca 0.11 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 1woi h PRO 52 Cb 0.16 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 1woi h PRO 52 CO -0.01 0.19 0.08 -0.09 -0.21 0.00 0.00 178.00 177.96 1woi h ARG 53 N 0.30 0.55 -0.80 1.05 2.43 -1.84 -1.98 114.38 114.09 1woi h ARG 53 Ca 0.30 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1woi h ARG 53 Cb 0.42 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1woi h ARG 53 CO -0.36 0.61 0.35 0.00 -1.51 0.00 0.00 179.97 179.06 1woi h ALA 54 N 0.92 1.11 -0.27 2.80 0.00 -0.53 -1.78 119.26 121.51 1woi h ALA 54 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1woi h ALA 54 Cb 0.31 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1woi h ALA 54 CO 0.00 0.65 -0.19 -0.07 0.00 0.00 0.00 179.25 179.65 1woi h LEU 55 N 1.15 0.48 -0.07 0.00 3.38 -0.24 0.52 115.31 120.53 1woi h LEU 55 Ca 0.27 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1woi h LEU 55 Cb 0.17 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1woi h LEU 55 CO -0.03 0.68 0.00 0.03 0.09 0.00 0.00 178.44 179.22 1woi h ARG 56 N 0.44 0.12 -0.33 1.13 3.08 -0.94 0.16 114.38 118.03 1woi h ARG 56 Ca 0.07 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1woi h ARG 56 Cb 0.58 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 1woi h ARG 56 CO 0.04 0.39 0.18 0.93 -1.07 0.00 0.00 179.97 180.44 1woi h GLU 57 N -0.16 0.35 -0.17 0.04 5.08 -1.10 -2.41 114.58 116.20 1woi h GLU 57 Ca 0.02 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1woi h GLU 57 Cb 0.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1woi h GLU 57 CO 0.00 0.23 -0.13 0.00 -1.00 0.00 0.00 179.01 178.12 1woi h ALA 58 N 1.16 1.46 0.00 3.43 0.00 -0.76 -2.46 119.26 122.09 1woi h ALA 58 Ca 0.14 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1woi h ALA 58 Cb 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1woi h ALA 58 CO -0.08 0.38 0.00 0.66 0.00 0.00 0.00 179.25 180.20 1woi h SER 59 N 0.26 0.00 0.46 0.00 4.64 -0.16 -1.92 113.55 116.83 1woi h SER 59 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1woi h SER 59 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1woi h SER 59 CO 0.02 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.91 1woi h LEU 60 N 0.00 0.00 0.00 5.97 3.38 -1.36 0.39 115.31 123.69 1woi h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1woi h LEU 60 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1woi h LEU 60 CO 0.00 0.00 -0.36 0.54 0.09 0.00 0.00 178.44 178.71 1woi n ARG 61 N -2.37 0.09 -2.84 1.13 5.12 -0.72 -4.21 116.66 112.86 1woi n ARG 61 Ca 0.00 0.04 -0.22 0.00 -1.93 0.00 0.00 57.85 55.75 1woi n ARG 61 Cb 0.16 -1.57 -0.02 0.00 -1.16 0.00 0.00 32.46 29.87 1woi n ARG 61 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1woi n SER 62 N -1.72 3.14 -4.68 0.55 7.64 0.14 -5.07 113.62 113.62 1woi n SER 62 Ca 0.05 -3.36 -0.42 0.00 1.01 0.00 0.00 58.87 56.15 1woi n SER 62 Cb 0.37 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 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 -4.01 4.86 0.79 0.44 1.01 -1.18 -4.83 120.40 117.48 1woi s VAL 63 Ca 0.43 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 64.07 1woi s VAL 63 Cb 0.36 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.60 1woi s VAL 63 CO -0.11 0.04 1.09 -2.16 0.00 0.00 0.00 175.10 173.96 1woi s PRO 64 N 1.98 2.15 0.90 2.72 0.04 -1.26 -4.73 135.00 136.80 1woi s PRO 64 Ca 0.42 0.67 -0.14 0.00 0.04 0.00 0.00 61.00 61.99 1woi s PRO 64 Cb -0.17 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 32.59 1woi s PRO 64 CO 0.15 -1.58 1.24 -1.25 0.04 0.00 0.00 177.00 175.60 1woi s PRO 65 N -5.14 1.20 -0.11 0.56 0.04 -1.26 -5.11 135.00 125.17 1woi s PRO 65 Ca 0.61 -0.12 0.02 0.00 0.04 0.00 0.00 61.00 61.55 1woi s PRO 65 Cb -0.14 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.52 1woi s PRO 65 CO 0.54 -2.08 -0.18 -0.06 0.04 0.00 0.00 177.00 175.26 1woi s PHE 66 N -3.69 2.20 -0.34 0.56 0.40 -0.57 -4.96 117.98 111.59 1woi s PHE 66 Ca 0.68 -1.01 -0.09 0.00 -0.60 0.00 0.00 56.93 55.91 1woi s PHE 66 Cb -0.08 -1.54 0.02 0.00 0.51 0.00 0.00 43.02 41.93 1woi s PHE 66 CO 0.51 -0.47 0.16 0.99 0.70 0.00 0.00 175.22 177.11 1woi s THR 67 N 0.77 4.37 1.09 0.64 2.01 -1.26 -0.23 115.64 123.02 1woi s THR 67 Ca -0.10 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 60.96 1woi s THR 67 Cb -0.16 -3.36 0.25 0.00 0.01 0.00 0.00 72.50 69.24 1woi s THR 67 CO 0.01 -0.10 1.23 -0.83 -0.69 0.00 0.00 174.62 174.25 1woi s GLY 68 N 1.54 1.70 0.37 4.40 0.00 0.05 -4.86 107.32 110.52 1woi s GLY 68 Ca 0.02 -1.14 0.06 0.00 0.00 0.00 0.00 44.72 43.66 1woi s GLY 68 CO 0.05 -0.29 1.97 -2.00 0.00 0.00 0.00 173.10 172.83 1woi h LEU 69 N -2.13 0.64 -0.66 0.66 5.85 -1.98 0.04 115.31 117.72 1woi h LEU 69 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1woi h LEU 69 Cb 1.25 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1woi h LEU 69 CO 0.34 0.42 0.00 -0.90 -0.34 0.00 0.00 178.44 177.96 1woi n ASP 70 N -4.47 0.53 0.00 1.25 5.68 -1.26 -4.87 116.55 113.41 1woi n ASP 70 Ca 0.10 0.65 0.00 0.00 -0.50 0.00 0.00 54.79 55.03 1woi n ASP 70 Cb 0.20 -0.75 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 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 -0.22 0.75 3.82 6.12 0.00 -0.00 -5.07 105.19 110.59 1woi n GLY 71 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.99 3.95 -0.08 1.61 1.02 -1.26 -4.74 119.74 119.25 1woi s LYS 72 Ca 0.00 1.10 0.03 0.00 0.02 0.00 0.00 55.97 57.12 1woi s LYS 72 Cb 0.00 -2.13 -0.02 0.00 -0.52 0.00 0.00 37.83 35.16 1woi s LYS 72 CO 0.00 -0.27 -0.17 0.99 -0.92 0.00 0.00 175.35 174.98 1woi s THR 73 N -2.36 2.78 0.11 2.17 2.01 -1.26 -0.77 115.64 118.33 1woi s THR 73 Ca 0.62 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.91 1woi s THR 73 Cb -0.11 -2.10 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1woi s THR 73 CO 0.24 0.56 -0.21 -0.13 -0.69 0.00 0.00 174.62 174.39 1woi s ARG 74 N -0.24 1.68 -1.12 4.92 0.52 0.68 -4.61 118.95 120.79 1woi s ARG 74 Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 1woi s ARG 74 Cb -0.13 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1woi s ARG 74 CO 0.03 0.48 0.00 1.28 0.02 0.00 0.00 175.30 177.11 1woi n LEU 75 N 0.91 -0.83 -4.69 2.53 4.77 -1.26 -1.51 117.00 116.92 1woi n LEU 75 Ca -0.16 0.25 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 1woi n LEU 75 Cb 0.53 -1.71 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 1woi n LEU 75 CO 0.27 -0.53 1.21 -1.58 -1.33 0.00 0.00 177.39 175.43 1woi s GLN 76 N -3.02 4.24 0.00 3.23 2.00 -1.26 -1.97 119.66 122.88 1woi s GLN 76 Ca 0.00 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 55.49 1woi s GLN 76 Cb 0.00 -3.58 0.00 0.00 0.80 0.00 0.00 33.01 30.23 1woi s GLN 76 CO 0.00 -0.65 0.00 0.41 -0.50 0.00 0.00 175.29 174.55 1woi n GLY 77 N 3.80 0.89 3.64 2.59 0.00 -1.26 -4.99 105.19 109.86 1woi n GLY 77 Ca 0.14 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 -3.62 4.66 0.26 1.61 1.01 -0.83 -5.02 120.40 118.47 1woi s VAL 78 Ca 0.00 1.62 -0.20 0.00 0.00 0.00 0.00 61.98 63.40 1woi s VAL 78 Cb 0.00 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1woi s VAL 78 CO 0.00 -0.31 0.77 0.42 0.00 0.00 0.00 175.10 175.98 1woi s THR 79 N 3.28 4.52 0.22 3.92 -4.23 -1.26 -4.97 115.64 117.11 1woi s THR 79 Ca 0.40 1.33 0.09 0.00 -1.18 0.00 0.00 61.69 62.34 1woi s THR 79 Cb -0.14 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 69.82 1woi s THR 79 CO 0.12 0.11 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.78 1woi s PHE 80 N -1.64 1.93 -0.04 3.99 0.40 -1.26 -1.22 117.98 120.14 1woi s PHE 80 Ca 0.47 -0.47 -0.18 0.00 -0.60 0.00 0.00 56.93 56.15 1woi s PHE 80 Cb -0.16 -0.89 0.03 0.00 0.51 0.00 0.00 43.02 42.52 1woi s PHE 80 CO 0.21 0.46 0.40 0.00 0.70 0.00 0.00 175.22 176.98 1woi s ALA 81 N -2.57 -1.02 -0.27 5.36 0.00 -0.41 -4.29 121.76 118.56 1woi s ALA 81 Ca 0.23 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1woi s ALA 81 Cb -0.03 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1woi s ALA 81 CO 0.09 -0.28 -0.06 0.34 0.00 0.00 0.00 175.76 175.86 1woi s ASP 82 N -1.12 4.54 -0.03 0.00 -1.08 -0.44 -1.23 116.67 117.31 1woi s ASP 82 Ca -0.12 -1.20 0.05 0.00 -0.52 0.00 0.00 52.55 50.76 1woi s ASP 82 Cb -0.04 -1.64 0.18 0.00 -1.46 0.00 0.00 42.92 39.97 1woi s ASP 82 CO 0.05 -0.20 1.00 0.00 0.52 0.00 0.00 175.17 176.54 1woi n ALA 83 N 4.57 2.64 -0.43 3.66 0.00 0.81 -0.90 120.51 130.85 1woi n ALA 83 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1woi n ALA 83 Cb 0.44 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1woi n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1woi n GLY 84 N 0.52 -0.14 3.61 0.00 0.00 -1.26 -4.21 105.19 103.71 1woi n GLY 84 Ca 0.07 -1.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.83 1woi n GLY 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1woi s ASP 85 N -4.00 4.40 0.28 1.61 1.01 -1.26 -0.78 116.67 117.92 1woi s ASP 85 Ca 0.00 -0.60 -0.29 0.00 0.71 0.00 0.00 52.55 52.37 1woi s ASP 85 Cb 0.00 -0.78 -0.10 0.00 1.01 0.00 0.00 42.92 43.05 1woi s ASP 85 CO 0.00 0.06 1.24 -0.69 0.21 0.00 0.00 175.17 175.99 1woi s VAL 86 N -1.98 3.10 -0.55 -1.27 1.01 -0.07 -4.88 120.40 115.75 1woi s VAL 86 Ca 0.28 1.05 -0.26 0.00 0.00 0.00 0.00 61.98 63.04 1woi s VAL 86 Cb -0.08 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1woi s VAL 86 CO 0.17 0.22 1.06 -0.63 0.00 0.00 0.00 175.10 175.93 1woi s ILE 87 N -0.81 4.22 0.11 2.22 1.01 -1.26 -4.79 121.20 121.91 1woi s ILE 87 Ca 0.49 0.66 -0.04 0.00 0.00 0.00 0.00 60.65 61.76 1woi s ILE 87 Cb -0.36 -4.62 -0.05 0.00 0.01 0.00 0.00 42.46 37.44 1woi s ILE 87 CO 0.45 -1.18 0.33 -0.76 0.00 0.00 0.00 174.94 173.79 1woi s LEU 88 N 4.40 4.30 0.00 2.97 1.43 -1.26 -4.98 118.68 125.54 1woi s LEU 88 Ca 0.38 0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 1woi s LEU 88 Cb -0.10 -3.18 0.13 0.00 0.03 0.00 0.00 46.19 43.07 1woi s LEU 88 CO 0.23 0.10 0.81 -0.81 0.23 0.00 0.00 176.35 176.91 1woi n PRO 89 N 0.23 -0.42 -3.69 1.29 -0.04 -1.26 -5.06 135.00 126.06 1woi n PRO 89 Ca -0.04 -1.62 -0.36 0.00 -0.04 0.00 0.00 63.50 61.44 1woi n PRO 89 Cb 0.52 -0.71 -0.06 0.00 -0.04 0.00 0.00 33.50 33.21 1woi n PRO 89 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1woi s SER 90 N -4.08 6.58 0.76 3.54 0.01 -1.26 -4.90 113.70 114.36 1woi s SER 90 Ca 0.49 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.43 1woi s SER 90 Cb -0.02 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.07 1woi s SER 90 CO 0.33 0.30 0.00 0.18 0.41 0.00 0.00 173.24 174.47 1woi n LEU 91 N 1.52 0.00 -3.91 2.44 4.77 -1.26 -4.86 117.00 115.70 1woi n LEU 91 Ca -0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.47 1woi n LEU 91 Cb 0.53 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.64 1woi n LEU 91 CO 0.38 0.00 -0.15 -0.62 -1.33 0.00 0.00 177.39 175.66 1woi n GLU 92 N 14.00 -1.03 -0.36 3.23 -0.58 -1.26 -4.72 120.64 129.93 1woi n GLU 92 Ca 0.00 0.27 0.10 0.00 -0.42 0.00 0.00 57.16 57.11 1woi n GLU 92 Cb 0.00 -3.48 0.28 0.00 -0.57 0.00 0.00 31.44 27.67 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 -2.19 0.85 -0.56 3.49 0.13 -1.97 -0.64 132.00 131.12 1woi h PRO 93 Ca -0.68 -0.05 -0.04 0.00 -0.87 0.00 0.00 66.00 64.36 1woi h PRO 93 Cb 1.38 -0.19 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1woi h PRO 93 CO 0.53 0.57 0.20 0.37 -0.23 0.00 0.00 178.00 179.43 1woi h GLN 94 N 0.88 0.86 -0.51 0.86 4.15 -1.99 0.80 115.11 120.15 1woi h GLN 94 Ca 0.54 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.72 1woi h GLN 94 Cb 0.69 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1woi h GLN 94 CO -0.32 0.76 0.06 1.25 -1.93 0.00 0.00 178.83 178.66 1woi h LEU 95 N 0.78 0.83 -0.60 -2.39 5.85 -1.74 -1.72 115.31 116.32 1woi h LEU 95 Ca 0.18 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1woi h LEU 95 Cb 0.25 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1woi h LEU 95 CO -0.01 0.90 0.35 0.00 -0.34 0.00 0.00 178.44 179.34 1woi h ALA 96 N 0.97 0.78 -0.55 1.25 0.00 -0.73 -1.23 119.26 119.75 1woi h ALA 96 Ca 0.15 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1woi h ALA 96 Cb 0.43 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1woi h ALA 96 CO 0.01 0.06 0.32 0.45 0.00 0.00 0.00 179.25 180.09 1woi h HIS 97 N 0.68 0.59 -0.74 0.00 3.86 -0.49 -0.85 115.15 118.20 1woi h HIS 97 Ca 0.25 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.43 1woi h HIS 97 Cb 0.07 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1woi h HIS 97 CO -0.07 0.32 0.28 -0.44 0.86 0.00 0.00 177.93 178.89 1woi h ASP 98 N 0.62 1.03 -0.02 2.45 3.32 -0.65 -1.37 116.42 121.81 1woi h ASP 98 Ca 0.23 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 56.99 1woi h ASP 98 Cb 0.07 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 1woi h ASP 98 CO -0.12 0.93 -0.32 0.03 -1.72 0.00 0.00 179.24 178.04 1woi h ARG 99 N 1.07 0.49 -0.35 3.56 3.08 -0.84 -2.01 114.38 119.37 1woi h ARG 99 Ca 0.25 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 1woi h ARG 99 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1woi h ARG 99 CO -0.02 0.75 -0.05 0.82 -1.07 0.00 0.00 179.97 180.41 1woi h ILE 100 N 0.42 1.27 -0.49 2.04 2.04 -0.80 -1.72 117.51 120.27 1woi h ILE 100 Ca 0.05 -1.07 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 1woi h ILE 100 Cb 0.76 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1woi h ILE 100 CO 0.06 0.35 0.10 0.74 0.00 0.00 0.00 178.15 179.40 1woi h THR 101 N 0.44 1.25 -0.31 -0.27 2.02 -1.17 -0.99 112.91 113.87 1woi h THR 101 Ca 0.09 -0.89 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1woi h THR 101 Cb 0.53 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1woi h THR 101 CO 0.03 0.32 0.10 -0.08 0.37 0.00 0.00 175.52 176.26 1woi h GLU 102 N 0.68 0.48 -0.69 6.66 4.57 -1.31 -0.76 114.58 124.20 1woi h GLU 102 Ca 0.15 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1woi h GLU 102 Cb 0.37 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1woi h GLU 102 CO 0.01 0.52 0.34 0.00 -1.18 0.00 0.00 179.01 178.70 1woi h ALA 103 N 0.94 0.89 -0.64 2.92 0.00 -1.25 -1.97 119.26 120.15 1woi h ALA 103 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1woi h ALA 103 Cb 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1woi h ALA 103 CO -0.00 0.45 0.37 0.00 0.00 0.00 0.00 179.25 180.06 1woi h ALA 104 N 1.16 0.81 -0.27 0.00 0.00 -0.95 -0.89 119.26 119.13 1woi h ALA 104 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1woi h ALA 104 Cb 0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1woi h ALA 104 CO -0.03 0.31 0.18 0.00 0.00 0.00 0.00 179.25 179.71 1woi h ARG 105 N 0.87 0.36 -0.40 0.00 3.08 -0.82 0.14 114.38 117.60 1woi h ARG 105 Ca 0.23 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1woi h ARG 105 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1woi h ARG 105 CO -0.04 0.24 0.23 1.96 -1.07 0.00 0.00 179.97 181.29 1woi h GLN 106 N 0.37 0.55 -0.52 0.04 4.20 -1.06 -1.18 115.11 117.52 1woi h GLN 106 Ca 0.10 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1woi h GLN 106 Cb -0.04 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1woi h GLN 106 CO -0.02 0.43 -0.06 0.28 -0.67 0.00 0.00 178.83 178.79 1woi h VAL 107 N 0.53 1.27 -0.74 -0.54 2.07 -0.98 -2.95 116.25 114.91 1woi h VAL 107 Ca 0.14 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.49 1woi h VAL 107 Cb 0.03 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1woi h VAL 107 CO -0.03 0.42 0.49 0.03 0.02 0.00 0.00 177.57 178.50 1woi h ARG 108 N 0.82 0.98 0.00 1.57 2.47 -0.49 -1.95 114.38 117.78 1woi h ARG 108 Ca 0.14 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1woi h ARG 108 Cb 0.60 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1woi h ARG 108 CO 0.04 0.66 0.00 0.41 0.56 0.00 0.00 179.97 181.63 1woi n GLY 109 N -1.29 -0.72 0.06 0.04 0.00 -0.46 -2.88 105.19 99.93 1woi n GLY 109 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.27 0.83 -4.16 1.61 1.74 -0.75 -5.06 116.66 109.60 1woi n ARG 110 Ca 0.07 -1.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.02 1woi n ARG 110 Cb 0.11 -1.02 -0.08 0.00 -1.02 0.00 0.00 32.46 30.44 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 2.41 0.02 -4.47 0.00 2.43 -1.03 -3.46 114.38 110.28 1woi h ARG 112 Ca -0.31 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.22 1woi h ARG 112 Cb 1.25 0.01 -0.38 0.00 -0.42 0.00 0.00 29.97 30.43 1woi h ARG 112 CO 0.45 1.01 -0.80 0.08 -1.51 0.00 0.00 179.97 179.21 1woi s VAL 113 N -2.37 1.59 0.15 0.20 1.01 0.04 -4.84 120.40 116.19 1woi s VAL 113 Ca -0.28 -1.12 -0.20 0.00 0.00 0.00 0.00 61.98 60.39 1woi s VAL 113 Cb 0.06 -1.76 -0.07 0.00 0.00 0.00 0.00 36.38 34.60 1woi s VAL 113 CO 0.61 0.04 0.66 -2.16 0.00 0.00 0.00 175.10 174.24 1woi s PRO 114 N 1.39 4.24 -0.21 2.72 0.04 -1.26 -2.68 135.00 139.25 1woi s PRO 114 Ca -0.04 0.81 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1woi s PRO 114 Cb -0.18 -3.06 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1woi s PRO 114 CO -0.07 0.52 -0.15 0.08 0.04 0.00 0.00 177.00 177.41 1woi s VAL 115 N -1.32 2.29 -0.22 -0.36 1.01 0.65 -2.16 120.40 120.29 1woi s VAL 115 Ca 0.37 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.22 1woi s VAL 115 Cb -0.18 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1woi s VAL 115 CO 0.21 0.38 0.10 -0.36 0.00 0.00 0.00 175.10 175.43 1woi s PHE 116 N 1.27 3.22 -0.36 5.22 0.40 0.36 -1.10 117.98 126.98 1woi s PHE 116 Ca 0.02 -0.02 -0.10 0.00 -0.60 0.00 0.00 56.93 56.23 1woi s PHE 116 Cb -0.15 -2.19 0.03 0.00 0.51 0.00 0.00 43.02 41.22 1woi s PHE 116 CO -0.10 -0.03 0.19 -0.51 0.70 0.00 0.00 175.22 175.48 1woi s LEU 117 N 0.96 4.62 0.90 -0.37 1.43 -0.54 -0.55 118.68 125.14 1woi s LEU 117 Ca 0.05 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.05 1woi s LEU 117 Cb -0.14 -2.00 0.18 0.00 0.03 0.00 0.00 46.19 44.26 1woi s LEU 117 CO 0.03 -0.36 1.24 -0.83 0.23 0.00 0.00 176.35 176.66 1woi s GLY 118 N 1.54 1.77 0.00 -3.19 0.00 0.86 -0.67 107.32 107.63 1woi s GLY 118 Ca 0.02 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1woi s GLY 118 CO 0.06 -0.58 0.00 0.61 0.00 0.00 0.00 173.10 173.19 1woi n GLY 119 N -3.54 0.00 3.78 0.20 0.00 -0.17 -3.44 105.19 102.02 1woi n GLY 119 Ca 0.15 -1.51 -0.29 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.19 3.17 0.25 1.61 1.47 0.10 -1.31 116.67 120.77 1woi s ASP 120 Ca 0.00 0.88 0.20 0.00 1.18 0.00 0.00 52.55 54.80 1woi s ASP 120 Cb 0.00 -1.37 0.97 0.00 -0.34 0.00 0.00 42.92 42.18 1woi s ASP 120 CO 0.00 -2.75 1.61 1.57 0.68 0.00 0.00 175.17 176.27 1woi n HIS 121 N -3.88 0.65 0.28 2.11 -0.00 -1.26 -2.39 115.22 110.73 1woi n HIS 121 Ca 0.08 0.31 0.15 0.00 -0.00 0.00 0.00 57.72 58.25 1woi n HIS 121 Cb 0.59 -0.99 0.84 0.00 -0.00 0.00 0.00 29.99 30.43 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 0.39 0.26 4.64 -1.81 -2.41 113.55 114.62 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 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1woi h SER 122 CO 0.00 0.06 -0.01 -0.37 -0.87 0.00 0.00 176.83 175.64 1woi h VAL 123 N 0.00 0.05 0.00 0.95 -1.51 -1.82 -2.73 116.25 111.19 1woi h VAL 123 Ca -0.00 -0.22 -0.02 0.00 -1.23 0.00 0.00 66.70 65.23 1woi h VAL 123 Cb 0.19 1.20 -0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1woi h VAL 123 CO 0.01 0.01 -0.10 0.28 -1.23 0.00 0.00 177.57 176.53 1woi h SER 124 N 0.00 0.00 0.75 4.19 0.02 -1.67 -2.22 113.55 114.62 1woi h SER 124 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1woi h SER 124 Cb 0.20 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.75 1woi h SER 124 CO 0.00 0.10 -0.36 0.22 -1.14 0.00 0.00 176.83 175.65 1woi h TYR 125 N 0.00 -0.93 0.00 3.45 3.20 -1.67 -0.82 116.97 120.20 1woi h TYR 125 Ca -0.00 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 1woi h TYR 125 Cb 0.20 0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1woi h TYR 125 CO 0.00 -0.58 -0.10 -1.00 -1.64 0.00 0.00 178.16 174.85 1woi h PRO 126 N -1.27 0.00 -0.13 1.82 0.13 -1.72 -2.22 132.00 128.61 1woi h PRO 126 Ca -0.10 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.00 1woi h PRO 126 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1woi h PRO 126 CO 0.17 0.10 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.93 1woi h LEU 127 N 0.00 0.25 -1.53 1.56 4.07 -1.36 -3.13 115.31 115.18 1woi h LEU 127 Ca -0.00 -0.38 -0.04 0.00 0.08 0.00 0.00 57.88 57.54 1woi h LEU 127 Cb 0.22 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1woi h LEU 127 CO 0.01 0.57 -0.13 -0.07 -1.08 0.00 0.00 178.44 177.75 1woi h LEU 128 N -0.08 0.14 -2.34 1.67 3.38 -0.56 -2.01 115.31 115.50 1woi h LEU 128 Ca 0.03 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1woi h LEU 128 Cb 0.47 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1woi h LEU 128 CO 0.01 0.28 0.20 0.03 0.09 0.00 0.00 178.44 179.06 1woi h ARG 129 N 0.14 0.00 0.00 1.13 3.08 -1.38 0.28 114.38 117.64 1woi h ARG 129 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1woi h ARG 129 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1woi h ARG 129 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 1woi n ALA 130 N -2.13 2.49 -1.50 0.04 0.00 -0.76 -3.35 120.51 115.31 1woi n ALA 130 Ca -0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 1woi n ALA 130 Cb 0.29 -1.47 0.20 0.00 0.00 0.00 0.00 19.45 18.47 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 -1.15 1.00 0.27 0.00 3.01 0.98 -4.74 117.46 116.84 1woi n PHE 131 Ca 0.18 -1.63 0.14 0.00 1.01 0.00 0.00 57.45 57.14 1woi n PHE 131 Cb 0.16 -0.47 0.79 0.00 -0.01 0.00 0.00 39.48 39.95 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 1.03 1.30 -0.40 4.37 0.00 -1.69 -2.61 119.26 121.27 1woi h ALA 132 Ca 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1woi h ALA 132 Cb 1.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1woi h ALA 132 CO 0.36 0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 1woi n ASP 133 N -3.63 2.31 -4.54 0.00 3.85 -1.26 -4.81 116.55 108.47 1woi n ASP 133 Ca -0.02 -2.05 -0.42 0.00 -0.71 0.00 0.00 54.79 51.59 1woi n ASP 133 Cb 0.20 -0.30 -0.08 0.00 -1.35 0.00 0.00 41.12 39.59 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 -1.50 5.01 0.31 2.12 1.01 -0.99 -5.04 120.40 121.32 1woi s VAL 134 Ca 0.27 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.12 1woi s VAL 134 Cb 0.15 -4.01 -0.11 0.00 0.00 0.00 0.00 36.38 32.41 1woi s VAL 134 CO 0.18 -0.31 1.52 -2.16 0.00 0.00 0.00 175.10 174.33 1woi s PRO 135 N 2.39 4.16 -1.41 2.72 0.04 -1.26 -3.23 135.00 138.42 1woi s PRO 135 Ca 0.18 2.51 -0.13 0.00 0.04 0.00 0.00 61.00 63.60 1woi s PRO 135 Cb -0.16 -3.03 0.02 0.00 0.04 0.00 0.00 34.50 31.37 1woi s PRO 135 CO 0.14 -0.55 0.31 -0.25 0.04 0.00 0.00 177.00 176.70 1woi n ASP 136 N 1.67 -1.14 -4.72 6.66 8.00 -1.23 -4.66 116.55 121.12 1woi n ASP 136 Ca 0.06 -1.25 -0.42 0.00 0.71 0.00 0.00 54.79 53.89 1woi n ASP 136 Cb 0.39 -1.86 -0.03 0.00 -0.02 0.00 0.00 41.12 39.60 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 -7.33 4.37 -0.03 0.64 2.96 0.19 -4.40 118.68 115.08 1woi s LEU 137 Ca 0.19 2.77 0.04 0.00 -0.22 0.00 0.00 54.13 56.90 1woi s LEU 137 Cb -0.10 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1woi s LEU 137 CO 0.97 -0.90 -0.15 -1.00 -1.32 0.00 0.00 176.35 173.96 1woi s HIS 138 N 1.04 2.68 -0.11 5.38 3.76 0.20 -1.95 115.29 126.30 1woi s HIS 138 Ca 0.72 -0.17 0.02 0.00 -0.15 0.00 0.00 55.06 55.47 1woi s HIS 138 Cb -0.47 -1.60 -0.01 0.00 1.11 0.00 0.00 32.58 31.61 1woi s HIS 138 CO 0.33 0.21 -0.18 0.08 -0.85 0.00 0.00 174.74 174.33 1woi s VAL 139 N -0.78 2.65 -0.31 -0.90 1.01 -0.26 -1.03 120.40 120.78 1woi s VAL 139 Ca 0.12 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1woi s VAL 139 Cb -0.11 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.22 1woi s VAL 139 CO 0.02 0.55 0.10 -0.69 0.00 0.00 0.00 175.10 175.07 1woi s VAL 140 N 0.18 4.03 -0.19 2.92 1.01 -0.74 -0.37 120.40 127.25 1woi s VAL 140 Ca -0.10 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 1woi s VAL 140 Cb -0.16 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1woi s VAL 140 CO 0.06 0.03 -0.05 -1.58 0.00 0.00 0.00 175.10 173.56 1woi s GLN 141 N 1.50 3.47 -0.26 2.72 0.74 0.13 -1.50 119.66 126.45 1woi s GLN 141 Ca 0.02 -0.60 -0.11 0.00 0.05 0.00 0.00 55.36 54.73 1woi s GLN 141 Cb -0.18 -2.95 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 1woi s GLN 141 CO 0.03 -0.02 0.17 -0.51 -0.55 0.00 0.00 175.29 174.41 1woi s LEU 142 N 1.04 4.00 -0.16 3.68 1.43 -0.40 0.08 118.68 128.35 1woi s LEU 142 Ca 0.01 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1woi s LEU 142 Cb -0.15 -2.10 0.13 0.00 0.03 0.00 0.00 46.19 44.11 1woi s LEU 142 CO 0.00 -0.01 1.04 -0.62 0.23 0.00 0.00 176.35 176.99 1woi s ASP 143 N 1.52 -0.32 0.20 2.29 -1.08 -0.71 -1.07 116.67 117.52 1woi s ASP 143 Ca 0.07 0.31 0.24 0.00 -0.52 0.00 0.00 52.55 52.64 1woi s ASP 143 Cb -0.15 0.27 0.29 0.00 -1.46 0.00 0.00 42.92 41.87 1woi s ASP 143 CO 0.08 -0.32 1.33 0.00 0.52 0.00 0.00 175.17 176.79 1woi h ALA 144 N 2.43 0.67 -3.01 3.66 0.00 -1.74 -2.64 119.26 118.63 1woi h ALA 144 Ca -0.17 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.10 1woi h ALA 144 Cb 1.17 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 1woi h ALA 144 CO 0.30 0.00 -0.81 -1.01 0.00 0.00 0.00 179.25 177.73 1woi s HIS 145 N -3.22 2.32 0.07 0.00 3.76 -1.26 -2.39 115.29 114.56 1woi s HIS 145 Ca 0.05 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 54.50 1woi s HIS 145 Cb 0.11 -1.12 -0.26 0.00 1.11 0.00 0.00 32.58 32.42 1woi s HIS 145 CO 0.72 0.54 1.14 1.25 -0.85 0.00 0.00 174.74 177.54 1woi h LEU 146 N 3.02 0.74 -1.43 0.89 5.85 -1.96 -3.48 115.31 118.96 1woi h LEU 146 Ca -0.45 -0.69 -0.45 0.00 0.84 0.00 0.00 57.88 57.13 1woi h LEU 146 Cb 1.22 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.02 1woi h LEU 146 CO 0.50 1.51 -0.80 0.47 -0.34 0.00 0.00 178.44 179.78 1woi n ASP 147 N -3.74 -2.76 -0.71 1.25 8.00 -1.26 -4.90 116.55 112.44 1woi n ASP 147 Ca -0.12 -0.81 0.06 0.00 0.71 0.00 0.00 54.79 54.63 1woi n ASP 147 Cb 0.97 -3.93 0.17 0.00 -0.02 0.00 0.00 41.12 38.31 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 -4.47 0.00 -2.75 1.24 7.35 -1.05 -2.80 117.46 114.98 1woi n PHE 148 Ca -0.15 -1.25 -0.39 0.00 -0.76 0.00 0.00 57.45 54.90 1woi n PHE 148 Cb 0.61 -0.22 -0.06 0.00 0.35 0.00 0.00 39.48 40.16 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 -2.59 4.09 -0.02 -2.13 2.01 -0.34 -4.59 115.64 112.08 1woi s THR 149 Ca 0.36 2.03 -0.04 0.00 0.31 0.00 0.00 61.69 64.34 1woi s THR 149 Cb 0.36 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.59 1woi s THR 149 CO -0.08 0.42 0.38 -0.78 -0.69 0.00 0.00 174.62 173.87 1woi h ASP 150 N 3.93 -0.14 -4.33 3.53 3.58 -1.93 -3.36 116.42 117.71 1woi h ASP 150 Ca -0.45 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.44 1woi h ASP 150 Cb 1.20 0.04 -0.28 0.00 1.72 0.00 0.00 39.33 42.00 1woi h ASP 150 CO 0.67 0.03 -0.84 -0.89 -2.88 0.00 0.00 179.24 175.34 1woi s THR 151 N -2.12 1.50 -0.12 2.25 2.01 -1.26 -4.59 115.64 113.31 1woi s THR 151 Ca -0.02 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 60.97 1woi s THR 151 Cb 0.00 -1.28 0.05 0.00 0.01 0.00 0.00 72.50 71.28 1woi s THR 151 CO 0.07 0.32 0.30 -0.60 -0.69 0.00 0.00 174.62 174.02 1woi s ARG 152 N -0.72 0.27 -1.45 4.92 3.52 -0.95 -4.91 118.95 119.64 1woi s ARG 152 Ca 0.07 0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 56.24 1woi s ARG 152 Cb -0.08 -0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.27 1woi s ARG 152 CO 0.00 -0.15 0.45 0.09 -0.81 0.00 0.00 175.30 174.88 1woi n ASN 153 N 4.11 -0.66 -2.22 -2.12 4.13 -1.26 -2.08 115.26 115.17 1woi n ASN 153 Ca -0.24 -1.02 -0.19 0.00 1.68 0.00 0.00 54.58 54.82 1woi n ASN 153 Cb 0.54 -2.97 -0.03 0.00 -1.54 0.00 0.00 39.78 35.78 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 -2.94 -5.38 -3.95 6.41 8.00 -1.26 -4.99 116.55 112.43 1woi n ASP 154 Ca -0.26 0.13 -0.09 0.00 0.71 0.00 0.00 54.79 55.28 1woi n ASP 154 Cb 0.66 -4.56 -0.09 0.00 -0.02 0.00 0.00 41.12 37.11 1woi n ASP 154 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1woi s THR 155 N -2.87 0.14 -1.00 -3.53 -1.32 -0.88 -5.04 115.64 101.14 1woi s THR 155 Ca 0.00 -1.18 0.20 0.00 -1.21 0.00 0.00 61.69 59.51 1woi s THR 155 Cb 0.00 -0.94 -0.22 0.00 -1.51 0.00 0.00 72.50 69.83 1woi s THR 155 CO 0.00 -0.65 0.88 0.29 -2.21 0.00 0.00 174.62 172.93 1woi n LYS 156 N 0.71 0.23 -0.55 7.08 4.76 -1.26 -2.23 118.16 126.90 1woi n LYS 156 Ca -0.19 -0.02 0.09 0.00 -2.87 0.00 0.00 58.31 55.32 1woi n LYS 156 Cb 0.59 -1.47 0.33 0.00 -1.84 0.00 0.00 35.03 32.63 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 -1.45 1.31 -1.12 2.13 5.03 -1.26 -4.78 117.44 117.30 1woi n TRP 157 Ca 0.04 -0.62 -0.29 0.00 3.03 0.00 0.00 57.50 59.66 1woi n TRP 157 Cb 0.32 -0.22 0.17 0.00 -1.03 0.00 0.00 31.31 30.55 1woi n TRP 157 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1woi s SER 158 N -1.03 2.67 0.00 -0.99 1.04 -1.26 -4.85 113.70 109.28 1woi s SER 158 Ca 0.47 1.30 0.19 0.00 0.48 0.00 0.00 55.95 58.39 1woi s SER 158 Cb 0.31 -1.97 1.11 0.00 0.10 0.00 0.00 66.02 65.56 1woi s SER 158 CO 0.22 -3.12 1.51 -0.46 0.98 0.00 0.00 173.24 172.38 1woi n ASN 159 N -4.18 0.00 -0.60 7.02 6.94 -1.06 -2.34 115.26 121.03 1woi n ASN 159 Ca 0.05 -0.57 0.13 0.00 -0.02 0.00 0.00 54.58 54.17 1woi n ASN 159 Cb 0.56 -0.01 0.26 0.00 -2.36 0.00 0.00 39.78 38.24 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 -1.01 2.02 0.00 0.53 7.64 -1.26 -4.42 113.62 117.12 1woi n SER 160 Ca 0.14 -1.57 0.00 0.00 1.01 0.00 0.00 58.87 58.45 1woi n SER 160 Cb 0.07 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 0.39 1.04 -0.29 6.43 7.64 -0.99 -1.20 113.62 126.65 1woi n SER 161 Ca 0.14 -1.21 0.11 0.00 1.01 0.00 0.00 58.87 58.92 1woi n SER 161 Cb 0.46 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.92 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 0.36 0.00 1.43 0.13 -1.67 -0.62 132.00 131.62 1woi h PRO 162 Ca 0.00 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 1woi h PRO 162 Cb 0.21 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 1woi h PRO 162 CO 0.00 0.24 -0.14 0.74 -0.23 0.00 0.00 178.00 178.60 1woi h PHE 163 N 0.37 0.00 -0.05 1.56 -1.00 -1.86 -0.44 116.94 115.52 1woi h PHE 163 Ca 0.51 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 61.17 1woi h PHE 163 Cb 0.93 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.50 1woi h PHE 163 CO -0.18 0.14 -0.43 -0.09 -1.61 0.00 0.00 178.31 176.14 1woi h ARG 164 N 0.00 0.38 -0.77 1.51 9.65 -1.35 -1.97 114.38 121.82 1woi h ARG 164 Ca -0.00 -0.34 -0.05 0.00 -1.10 0.00 0.00 59.98 58.49 1woi h ARG 164 Cb 1.01 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.64 1woi h ARG 164 CO 0.02 1.00 0.29 0.00 2.80 0.00 0.00 179.97 184.08 1woi h ARG 165 N -0.12 1.16 -0.06 0.20 2.47 -1.11 -2.69 114.38 114.24 1woi h ARG 165 Ca -0.04 -0.22 -0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1woi h ARG 165 Cb 1.11 -0.19 -0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1woi h ARG 165 CO 0.09 0.95 0.03 0.00 0.56 0.00 0.00 179.97 181.60 1woi h ALA 166 N 1.19 0.08 -0.52 0.04 0.00 -1.03 -2.11 119.26 116.92 1woi h ALA 166 Ca 0.26 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1woi h ALA 166 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1woi h ALA 166 CO -0.02 -0.36 0.24 0.00 0.00 0.00 0.00 179.25 179.11 1woi h GLU 168 N 0.73 0.00 0.00 0.00 4.11 -1.37 -3.17 114.58 114.87 1woi h GLU 168 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 1woi h GLU 168 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1woi h GLU 168 CO -0.02 0.44 -0.98 0.00 0.07 0.00 0.00 179.01 178.51 1woi n ALA 169 N -2.26 2.55 -3.81 1.06 0.00 -0.79 -4.72 120.51 112.55 1woi n ALA 169 Ca 0.01 -0.23 -0.30 0.00 0.00 0.00 0.00 53.44 52.91 1woi n ALA 169 Cb 0.61 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 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 -5.29 3.22 0.59 0.00 1.43 0.79 -4.96 118.68 114.46 1woi s LEU 170 Ca -0.00 -2.39 0.39 0.00 -1.03 0.00 0.00 54.13 51.10 1woi s LEU 170 Cb 0.10 -1.20 2.10 0.00 0.03 0.00 0.00 46.19 47.22 1woi s LEU 170 CO 0.79 -0.31 2.20 1.55 0.23 0.00 0.00 176.35 180.80 1woi h PRO 171 N 7.15 0.00 0.00 1.29 0.13 -1.85 -1.08 132.00 137.64 1woi h PRO 171 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1woi h PRO 171 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 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 -2.90 0.83 -4.56 1.44 6.94 -1.26 -4.47 115.26 111.27 1woi n ASN 172 Ca -0.02 0.59 -0.41 0.00 -0.02 0.00 0.00 54.58 54.72 1woi n ASN 172 Cb 0.08 -0.81 -0.03 0.00 -2.36 0.00 0.00 39.78 36.66 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 -4.59 3.51 0.19 -4.53 0.20 -0.41 -0.63 118.68 112.42 1woi s LEU 173 Ca 0.10 -1.46 0.23 0.00 0.69 0.00 0.00 54.13 53.69 1woi s LEU 173 Cb 0.12 -2.57 0.22 0.00 -0.43 0.00 0.00 46.19 43.53 1woi s LEU 173 CO 0.57 -1.51 1.25 -0.37 -0.29 0.00 0.00 176.35 176.01 1woi h VAL 174 N 6.79 0.00 -2.07 1.68 -1.51 -1.61 -3.47 116.25 116.06 1woi h VAL 174 Ca 0.20 -0.75 -0.06 0.00 -1.23 0.00 0.00 66.70 64.87 1woi h VAL 174 Cb 1.01 1.35 -0.20 0.00 -2.13 0.00 0.00 31.29 31.32 1woi h VAL 174 CO 1.43 0.00 0.14 -2.28 -1.23 0.00 0.00 177.57 175.62 1woi s HIS 175 N -3.25 -0.68 -0.03 5.19 5.65 -1.22 -4.90 115.29 116.05 1woi s HIS 175 Ca 0.04 1.38 0.02 0.00 0.25 0.00 0.00 55.06 56.75 1woi s HIS 175 Cb 0.11 0.34 0.01 0.00 -1.18 0.00 0.00 32.58 31.85 1woi s HIS 175 CO 0.74 -0.51 -0.09 0.42 -0.65 0.00 0.00 174.74 174.66 1woi s ILE 176 N -0.59 0.77 -0.23 0.89 1.01 -1.26 -1.10 121.20 120.69 1woi s ILE 176 Ca -0.07 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1woi s ILE 176 Cb -0.02 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.76 1woi s ILE 176 CO 0.06 0.25 -0.08 -0.89 0.00 0.00 0.00 174.94 174.28 1woi s THR 177 N 0.35 2.86 -0.18 2.92 2.01 0.51 -0.98 115.64 123.14 1woi s THR 177 Ca -0.06 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1woi s THR 177 Cb -0.10 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 70.02 1woi s THR 177 CO 0.01 0.32 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.30 1woi s THR 178 N 1.36 3.45 -0.07 -0.82 2.01 0.17 0.17 115.64 121.90 1woi s THR 178 Ca 0.03 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1woi s THR 178 Cb -0.15 -2.52 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 1woi s THR 178 CO -0.06 0.47 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.45 1woi s VAL 179 N 0.83 1.78 0.00 3.82 1.01 0.11 -0.19 120.40 127.77 1woi s VAL 179 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1woi s VAL 179 Cb -0.15 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.70 1woi s VAL 179 CO 0.01 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1woi n GLY 180 N 3.34 0.86 3.68 4.51 0.00 -0.46 -1.73 105.19 115.39 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 3.24 -3.56 0.99 4.77 -0.99 -4.09 117.00 117.35 1woi n LEU 181 Ca 0.00 1.15 -0.07 0.00 -0.03 0.00 0.00 56.01 57.07 1woi n LEU 181 Cb 0.00 -1.45 -0.02 0.00 -2.33 0.00 0.00 43.42 39.63 1woi n LEU 181 CO 0.00 -0.47 0.74 0.00 -1.33 0.00 0.00 177.39 176.33 1woi s ARG 182 N -0.70 0.83 0.00 3.23 1.70 -1.01 -0.96 118.95 122.04 1woi s ARG 182 Ca 0.65 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 1woi s ARG 182 Cb -0.63 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.11 1woi s ARG 182 CO 0.52 -0.37 0.00 0.41 -1.08 0.00 0.00 175.30 174.78 1woi n GLY 183 N -0.28 3.92 0.18 3.88 0.00 -1.26 -4.75 105.19 106.87 1woi n GLY 183 Ca -0.07 -1.69 0.05 0.00 0.00 0.00 0.00 46.02 44.31 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 -8.26 0.99 3.38 -2.02 -3.45 115.31 105.95 1woi h LEU 184 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 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 0.40 -0.84 -0.60 0.09 0.00 0.00 178.44 177.49 1woi s ARG 185 N -3.41 1.71 0.02 1.13 3.52 -1.26 -5.13 118.95 115.54 1woi s ARG 185 Ca 0.01 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 55.00 1woi s ARG 185 Cb 0.10 -1.52 -0.02 0.00 -1.56 0.00 0.00 34.95 31.95 1woi s ARG 185 CO 0.70 0.28 -0.04 -0.06 -0.81 0.00 0.00 175.30 175.37 1woi s PHE 186 N -0.08 0.34 -0.53 5.12 0.40 -1.26 -5.08 117.98 116.89 1woi s PHE 186 Ca -0.01 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.56 1woi s PHE 186 Cb -0.10 -0.23 0.02 0.00 0.51 0.00 0.00 43.02 43.22 1woi s PHE 186 CO 0.01 -0.15 1.31 0.34 0.70 0.00 0.00 175.22 177.43 1woi s ASP 187 N -1.36 6.34 0.42 1.36 -1.08 -1.26 -4.89 116.67 116.20 1woi s ASP 187 Ca -0.13 0.36 0.13 0.00 -0.52 0.00 0.00 52.55 52.39 1woi s ASP 187 Cb -0.09 -2.55 1.00 0.00 -1.46 0.00 0.00 42.92 39.82 1woi s ASP 187 CO -0.01 -1.52 1.97 1.55 0.52 0.00 0.00 175.17 177.68 1woi h PRO 188 N 10.27 0.44 -0.36 4.34 0.13 -1.99 -1.24 132.00 143.59 1woi h PRO 188 Ca -0.26 -0.03 -0.16 0.00 -0.87 0.00 0.00 66.00 64.69 1woi h PRO 188 Cb 1.08 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1woi h PRO 188 CO 1.16 0.29 -0.40 1.49 -0.23 0.00 0.00 178.00 180.31 1woi h GLU 189 N 0.45 0.89 -0.32 0.86 4.22 -1.99 -1.12 114.58 117.57 1woi h GLU 189 Ca 0.30 -0.47 -0.05 0.00 0.08 0.00 0.00 59.36 59.21 1woi h GLU 189 Cb 0.56 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1woi h GLU 189 CO -0.09 1.12 -0.01 0.00 -2.18 0.00 0.00 179.01 177.85 1woi h ALA 190 N 0.81 0.43 -0.26 2.92 0.00 -1.54 0.38 119.26 122.01 1woi h ALA 190 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1woi h ALA 190 Cb 0.98 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1woi h ALA 190 CO 0.10 0.20 0.02 0.28 0.00 0.00 0.00 179.25 179.85 1woi h VAL 191 N 0.37 1.24 -0.62 0.00 2.07 -1.25 -0.83 116.25 117.24 1woi h VAL 191 Ca 0.09 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1woi h VAL 191 Cb 0.47 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1woi h VAL 191 CO 0.02 0.26 0.18 0.00 0.02 0.00 0.00 177.57 178.05 1woi h ALA 192 N 0.84 0.81 -0.18 1.67 0.00 -1.16 -1.24 119.26 120.01 1woi h ALA 192 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1woi h ALA 192 Cb 0.37 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1woi h ALA 192 CO 0.01 0.50 0.07 0.00 0.00 0.00 0.00 179.25 179.83 1woi h ALA 193 N 1.06 0.23 -0.33 0.00 0.00 -0.84 0.14 119.26 119.51 1woi h ALA 193 Ca 0.20 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1woi h ALA 193 Cb 0.32 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1woi h ALA 193 CO -0.00 -0.19 0.11 0.00 0.00 0.00 0.00 179.25 179.17 1woi h ALA 194 N 0.92 0.38 -0.49 0.00 0.00 -0.99 -1.45 119.26 117.63 1woi h ALA 194 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1woi h ALA 194 Cb 0.16 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1woi h ALA 194 CO -0.01 -0.29 0.20 0.00 0.00 0.00 0.00 179.25 179.16 1woi h ARG 195 N 0.25 0.73 0.00 0.00 3.08 -1.04 -1.16 114.38 116.23 1woi h ARG 195 Ca 0.15 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 1woi h ARG 195 Cb 0.13 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1woi h ARG 195 CO -0.16 0.64 -0.02 0.00 -1.07 0.00 0.00 179.97 179.36 1woi h ALA 196 N 1.05 1.11 -0.01 0.04 0.00 -0.29 -0.34 119.26 120.81 1woi h ALA 196 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1woi h ALA 196 Cb 0.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1woi h ALA 196 CO -0.01 0.02 -0.10 0.54 0.00 0.00 0.00 179.25 179.69 1woi n ARG 197 N -3.26 1.44 -0.35 0.00 1.74 -0.59 -4.93 116.66 110.71 1woi n ARG 197 Ca -0.02 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.16 1woi n ARG 197 Cb 0.14 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1woi n ARG 197 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1woi n GLY 198 N 1.25 0.70 3.74 -0.13 0.00 -0.14 -4.96 105.19 105.65 1woi n GLY 198 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.58 2.23 -0.25 1.61 3.76 -0.49 -4.86 115.29 114.71 1woi s HIS 199 Ca 0.00 1.53 -0.08 0.00 -0.15 0.00 0.00 55.06 56.36 1woi s HIS 199 Cb 0.00 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 30.13 1woi s HIS 199 CO 0.00 -2.48 0.10 0.99 -0.85 0.00 0.00 174.74 172.50 1woi s THR 200 N -1.66 4.61 -0.26 1.30 2.01 -0.15 -4.53 115.64 116.97 1woi s THR 200 Ca 0.78 -0.07 -0.06 0.00 0.31 0.00 0.00 61.69 62.65 1woi s THR 200 Cb -0.32 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 1woi s THR 200 CO 0.38 0.33 0.04 -0.63 -0.69 0.00 0.00 174.62 174.05 1woi s ILE 201 N 1.51 3.88 -0.35 1.82 1.01 -1.26 -0.66 121.20 127.14 1woi s ILE 201 Ca 0.06 -0.49 0.02 0.00 0.00 0.00 0.00 60.65 60.24 1woi s ILE 201 Cb -0.15 -2.88 0.10 0.00 0.01 0.00 0.00 42.46 39.54 1woi s ILE 201 CO 0.05 0.25 0.07 -0.63 0.00 0.00 0.00 174.94 174.69 1woi s ILE 202 N 1.52 2.51 0.68 2.92 1.01 0.74 -4.98 121.20 125.60 1woi s ILE 202 Ca 0.05 -2.22 -0.16 0.00 0.00 0.00 0.00 60.65 58.31 1woi s ILE 202 Cb -0.16 -2.79 0.01 0.00 0.01 0.00 0.00 42.46 39.54 1woi s ILE 202 CO 0.01 -0.57 1.21 -2.84 0.00 0.00 0.00 174.94 172.75 1woi s PRO 203 N 0.97 2.45 0.43 2.79 0.02 -1.26 -1.36 135.00 139.05 1woi s PRO 203 Ca 0.09 1.78 0.12 0.00 0.02 0.00 0.00 61.00 63.01 1woi s PRO 203 Cb -0.20 -1.87 0.99 0.00 0.02 0.00 0.00 34.50 33.44 1woi s PRO 203 CO -0.07 -1.60 2.02 1.98 -0.33 0.00 0.00 177.00 179.00 1woi h MET 204 N 0.13 0.42 -0.80 5.54 1.85 -1.20 -1.04 114.93 119.83 1woi h MET 204 Ca -0.49 -0.03 0.14 0.00 -0.61 0.00 0.00 59.70 58.72 1woi h MET 204 Cb 1.30 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 33.18 1woi h MET 204 CO 0.52 0.28 0.53 -0.44 -0.40 0.00 0.00 176.91 177.39 1woi h ASP 205 N 0.43 0.50 0.38 1.39 3.32 -1.91 -0.55 116.42 119.99 1woi h ASP 205 Ca 0.22 0.03 -0.17 0.00 0.02 0.00 0.00 57.03 57.13 1woi h ASP 205 Cb 0.31 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1woi h ASP 205 CO -0.06 0.26 -0.69 0.44 -1.72 0.00 0.00 179.24 177.48 1woi h ASP 206 N 0.54 0.32 -0.44 6.45 3.32 -1.54 -0.30 116.42 124.76 1woi h ASP 206 Ca 0.39 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1woi h ASP 206 Cb 0.76 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1woi h ASP 206 CO -0.15 0.91 0.15 0.58 -1.72 0.00 0.00 179.24 179.01 1woi h VAL 207 N 0.19 1.22 -0.19 -1.35 2.07 -1.09 -0.22 116.25 116.87 1woi h VAL 207 Ca -0.02 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1woi h VAL 207 Cb 1.23 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1woi h VAL 207 CO 0.11 0.26 -0.01 0.74 0.02 0.00 0.00 177.57 178.69 1woi h THR 208 N 0.58 1.26 -0.66 2.57 2.02 -1.15 -2.90 112.91 114.62 1woi h THR 208 Ca 0.14 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 1woi h THR 208 Cb 0.25 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1woi h THR 208 CO -0.01 0.27 0.13 0.00 0.37 0.00 0.00 175.52 176.29 1woi h ALA 209 N 0.77 0.98 -0.92 6.16 0.00 -0.95 -3.42 119.26 121.89 1woi h ALA 209 Ca 0.05 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1woi h ALA 209 Cb 0.41 -0.26 -0.19 0.00 0.00 0.00 0.00 17.79 17.76 1woi h ALA 209 CO 0.01 0.65 -0.42 0.34 0.00 0.00 0.00 179.25 179.83 1woi s ASP 210 N -6.50 -1.41 0.23 0.00 2.15 -0.10 -5.02 116.67 106.01 1woi s ASP 210 Ca -0.11 -0.81 -0.08 0.00 0.43 0.00 0.00 52.55 51.97 1woi s ASP 210 Cb 0.15 1.81 0.21 0.00 -0.30 0.00 0.00 42.92 44.78 1woi s ASP 210 CO 0.84 -0.14 1.90 0.25 -0.17 0.00 0.00 175.17 177.85 1woi h LEU 211 N 6.64 1.00 -0.73 -1.34 7.12 -1.67 -2.24 115.31 124.09 1woi h LEU 211 Ca 0.04 -0.02 0.04 0.00 0.13 0.00 0.00 57.88 58.07 1woi h LEU 211 Cb 1.18 -0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 41.01 1woi h LEU 211 CO 0.07 0.72 0.45 0.00 -0.13 0.00 0.00 178.44 179.56 1woi h ALA 212 N 1.32 0.97 -0.49 1.25 0.00 -1.93 -1.19 119.26 119.19 1woi h ALA 212 Ca 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1woi h ALA 212 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1woi h ALA 212 CO -0.07 0.22 0.26 0.78 0.00 0.00 0.00 179.25 180.44 1woi h GLY 213 N 0.87 0.72 0.56 0.00 0.00 -1.79 -2.02 103.07 101.42 1woi h GLY 213 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 1woi h GLY 213 CO -0.13 0.30 -0.03 -2.08 0.00 0.00 0.00 176.54 174.60 1woi h VAL 214 N 0.68 1.38 -0.60 4.60 2.07 -0.88 -3.03 116.25 120.47 1woi h VAL 214 Ca 0.18 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.63 1woi h VAL 214 Cb 0.03 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 1woi h VAL 214 CO -0.03 0.31 0.40 -0.07 0.02 0.00 0.00 177.57 178.20 1woi h LEU 215 N -0.39 0.38 -1.72 2.57 3.38 -1.02 0.24 115.31 118.76 1woi h LEU 215 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1woi h LEU 215 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1woi h LEU 215 CO 0.01 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1woi h ALA 216 N 1.70 1.00 0.00 1.53 0.00 -1.25 -2.10 119.26 120.13 1woi h ALA 216 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1woi h ALA 216 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1woi h ALA 216 CO -0.08 0.00 -0.55 1.04 0.00 0.00 0.00 179.25 179.67 1woi n GLN 217 N -2.84 0.12 -1.97 0.00 6.02 0.82 -4.93 117.38 114.59 1woi n GLN 217 Ca -0.00 0.03 -0.35 0.00 -0.01 0.00 0.00 57.00 56.67 1woi n GLN 217 Cb 0.20 -1.57 0.03 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.49 3.59 0.87 1.08 1.43 -0.79 -4.99 118.68 116.38 1woi s LEU 218 Ca 0.09 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.29 1woi s LEU 218 Cb 0.16 -4.58 0.12 0.00 0.03 0.00 0.00 46.19 41.92 1woi s LEU 218 CO 0.70 -1.55 1.16 -0.81 0.23 0.00 0.00 176.35 176.09 1woi n PRO 219 N -1.81 -0.17 -3.81 1.29 -0.04 -1.26 -5.05 135.00 124.15 1woi n PRO 219 Ca 0.12 0.03 -0.18 0.00 -0.04 0.00 0.00 63.50 63.43 1woi n PRO 219 Cb 0.51 -2.40 -0.17 0.00 -0.04 0.00 0.00 33.50 31.40 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 -4.38 0.14 -1.43 0.54 0.52 -1.26 -4.78 118.95 108.30 1woi s ARG 220 Ca 0.70 0.18 0.00 0.00 -0.52 0.00 0.00 55.73 56.09 1woi s ARG 220 Cb -0.26 -0.47 0.00 0.00 0.52 0.00 0.00 34.95 34.75 1woi s ARG 220 CO 0.55 -0.21 0.00 0.41 0.02 0.00 0.00 175.30 176.07 1woi n GLY 221 N 4.52 0.72 3.85 -3.53 0.00 0.17 -5.00 105.19 105.92 1woi n GLY 221 Ca -0.20 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 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 -3.93 2.60 -0.27 1.61 -1.52 -1.26 -4.86 119.66 112.03 1woi s GLN 222 Ca 0.00 -1.43 -0.22 0.00 -1.95 0.00 0.00 55.36 51.76 1woi s GLN 222 Cb 0.00 -2.40 -0.01 0.00 -0.22 0.00 0.00 33.01 30.38 1woi s GLN 222 CO 0.00 -0.04 0.69 -0.80 -0.25 0.00 0.00 175.29 174.89 1woi s ASN 223 N -4.04 6.62 -0.04 5.90 0.01 -1.26 -1.14 114.94 120.99 1woi s ASN 223 Ca 0.44 0.70 0.07 0.00 -0.71 0.00 0.00 52.86 53.35 1woi s ASN 223 Cb -0.04 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.24 1woi s ASN 223 CO 0.27 -0.46 -0.25 -0.69 -1.51 0.00 0.00 177.10 174.46 1woi s VAL 224 N 2.66 1.99 -0.14 1.60 1.01 -0.23 -0.63 120.40 126.65 1woi s VAL 224 Ca 0.28 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1woi s VAL 224 Cb -0.15 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 1woi s VAL 224 CO 0.10 0.56 -0.13 -0.47 0.00 0.00 0.00 175.10 175.16 1woi s TYR 225 N -0.36 2.82 -0.17 5.22 5.04 -0.20 -0.54 117.35 129.17 1woi s TYR 225 Ca 0.03 -0.76 -0.16 0.00 -2.44 0.00 0.00 57.07 53.74 1woi s TYR 225 Cb -0.12 -1.88 -0.04 0.00 0.35 0.00 0.00 41.96 40.27 1woi s TYR 225 CO 0.01 -0.30 0.37 -0.06 -1.34 0.00 0.00 175.55 174.23 1woi s PHE 226 N 0.57 3.44 -0.27 4.97 2.99 0.09 -1.79 117.98 127.99 1woi s PHE 226 Ca -0.08 0.67 0.03 0.00 0.00 0.00 0.00 56.93 57.55 1woi s PHE 226 Cb -0.16 -2.45 0.06 0.00 0.00 0.00 0.00 43.02 40.47 1woi s PHE 226 CO 0.03 0.13 -0.10 0.45 -0.00 0.00 0.00 175.22 175.74 1woi s SER 227 N 0.72 4.46 -0.34 1.36 0.15 -0.56 -0.37 113.70 119.11 1woi s SER 227 Ca 0.19 -1.45 -0.08 0.00 0.70 0.00 0.00 55.95 55.31 1woi s SER 227 Cb -0.14 -1.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.65 1woi s SER 227 CO 0.07 -0.21 0.14 -0.69 1.20 0.00 0.00 173.24 173.75 1woi s VAL 228 N 1.09 4.14 -0.28 4.45 1.01 -0.04 -1.28 120.40 129.49 1woi s VAL 228 Ca -0.07 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 1woi s VAL 228 Cb -0.20 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1woi s VAL 228 CO -0.05 -0.12 0.36 -0.62 0.00 0.00 0.00 175.10 174.66 1woi s ASP 229 N 1.49 6.22 0.63 3.32 -1.08 -0.23 -0.94 116.67 126.08 1woi s ASP 229 Ca 0.01 0.19 0.34 0.00 -0.52 0.00 0.00 52.55 52.57 1woi s ASP 229 Cb -0.19 -2.20 1.90 0.00 -1.46 0.00 0.00 42.92 40.98 1woi s ASP 229 CO 0.04 -0.20 2.15 -0.37 0.52 0.00 0.00 175.17 177.31 1woi h VAL 230 N 5.41 0.21 0.00 1.11 -1.51 -1.69 -0.10 116.25 119.68 1woi h VAL 230 Ca -0.32 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.15 1woi h VAL 230 Cb 1.16 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 1woi h VAL 230 CO 0.64 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.08 1woi n ASP 231 N -3.35 0.00 0.18 4.19 5.68 -1.26 -1.59 116.55 120.40 1woi n ASP 231 Ca -0.01 -0.43 0.04 0.00 -0.50 0.00 0.00 54.79 53.89 1woi n ASP 231 Cb 0.25 -0.11 0.34 0.00 -1.14 0.00 0.00 41.12 40.46 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 3.42 0.00 -1.84 6.12 0.00 -1.26 -3.36 103.07 106.15 1woi h GLY 232 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1woi h GLY 232 CO 0.00 0.00 0.36 -1.36 0.00 0.00 0.00 176.54 175.54 1woi s PHE 233 N -3.79 3.42 0.28 5.60 0.40 -0.62 -1.71 117.98 121.56 1woi s PHE 233 Ca -0.01 1.50 -0.30 0.00 -0.60 0.00 0.00 56.93 57.52 1woi s PHE 233 Cb 0.12 -2.80 -0.11 0.00 0.51 0.00 0.00 43.02 40.74 1woi s PHE 233 CO 0.70 -0.30 1.60 0.34 0.70 0.00 0.00 175.22 178.26 1woi s ASP 234 N -2.85 6.38 0.60 1.36 -1.08 0.70 -4.55 116.67 117.22 1woi s ASP 234 Ca 0.60 2.94 0.30 0.00 -0.52 0.00 0.00 52.55 55.86 1woi s ASP 234 Cb -0.10 -2.63 1.71 0.00 -1.46 0.00 0.00 42.92 40.45 1woi s ASP 234 CO 0.27 -0.91 2.11 -0.65 0.52 0.00 0.00 175.17 176.51 1woi h PRO 235 N 5.03 0.00 -0.08 4.34 0.11 -1.77 0.13 132.00 139.76 1woi h PRO 235 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 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 0.81 0.00 -0.44 0.00 -0.21 0.00 0.00 178.00 178.16 1woi h ALA 236 N 1.76 1.11 0.00 -0.75 0.00 -1.94 -1.64 119.26 117.80 1woi h ALA 236 Ca 0.07 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 1woi h ALA 236 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1woi h ALA 236 CO -0.00 0.60 -0.77 0.28 0.00 0.00 0.00 179.25 179.36 1woi h VAL 237 N 0.15 1.26 -2.97 0.00 2.07 -1.19 -3.42 116.25 112.15 1woi h VAL 237 Ca 0.01 -2.25 -0.62 0.00 0.82 0.00 0.00 66.70 64.67 1woi h VAL 237 Cb 0.84 2.68 -0.41 0.00 -1.52 0.00 0.00 31.29 32.88 1woi h VAL 237 CO 0.07 0.43 -0.65 -0.63 0.02 0.00 0.00 177.57 176.81 1woi s ILE 238 N -2.31 2.42 -0.07 4.57 -1.09 -0.20 -4.63 121.20 119.89 1woi s ILE 238 Ca -0.25 -3.93 0.26 0.00 -2.23 0.00 0.00 60.65 54.50 1woi s ILE 238 Cb 0.02 -2.60 0.31 0.00 -1.58 0.00 0.00 42.46 38.61 1woi s ILE 238 CO 0.63 -1.04 1.79 1.55 -1.23 0.00 0.00 174.94 176.64 1woi h PRO 239 N 5.51 0.00 -4.99 2.79 0.13 -1.54 -3.40 132.00 130.50 1woi h PRO 239 Ca 0.15 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.71 1woi h PRO 239 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1woi h PRO 239 CO 0.65 0.10 2.06 0.41 -0.23 0.00 0.00 178.00 180.99 1woi n GLY 240 N 0.49 2.43 3.38 1.56 0.00 -1.26 -4.81 105.19 106.97 1woi n GLY 240 Ca 0.02 -1.19 -0.15 0.00 0.00 0.00 0.00 46.02 44.70 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 6.37 0.03 0.11 2.61 -1.32 -1.26 -0.13 115.64 122.05 1woi s THR 241 Ca 0.58 -0.26 -0.21 0.00 -1.21 0.00 0.00 61.69 60.59 1woi s THR 241 Cb 0.08 -0.88 -0.08 0.00 -1.51 0.00 0.00 72.50 70.11 1woi s THR 241 CO 0.08 -0.14 1.73 -1.28 -2.21 0.00 0.00 174.62 172.80 1woi h SER 242 N 3.19 -0.01 -2.67 8.08 0.87 -1.78 -3.38 113.55 117.85 1woi h SER 242 Ca -0.29 0.02 -0.61 0.00 -1.23 0.00 0.00 61.79 59.68 1woi h SER 242 Cb 1.18 0.04 -0.41 0.00 -0.44 0.00 0.00 62.40 62.76 1woi h SER 242 CO 0.40 0.01 -0.69 -1.20 -0.53 0.00 0.00 176.83 174.83 1woi n SER 243 N -5.10 2.38 -4.76 6.23 7.64 -1.26 -4.47 113.62 114.28 1woi n SER 243 Ca -0.04 -3.09 -0.36 0.00 1.01 0.00 0.00 58.87 56.40 1woi n SER 243 Cb 0.07 -0.69 0.01 0.00 -1.01 0.00 0.00 64.21 62.59 1woi n SER 243 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1woi s PRO 244 N -1.43 3.25 -0.05 1.43 0.04 -1.26 -4.98 135.00 132.00 1woi s PRO 244 Ca 0.31 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.12 1woi s PRO 244 Cb 0.03 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1woi s PRO 244 CO -0.13 -0.97 -0.09 -2.00 0.04 0.00 0.00 177.00 173.85 1woi s GLU 245 N -3.20 1.25 0.87 4.56 2.56 -1.26 -5.08 118.70 118.39 1woi s GLU 245 Ca 0.73 -0.31 -0.11 0.00 0.00 0.00 0.00 54.97 55.29 1woi s GLU 245 Cb -0.28 -1.11 0.12 0.00 2.00 0.00 0.00 34.13 34.86 1woi s GLU 245 CO 0.31 0.03 1.10 -1.25 -0.56 0.00 0.00 175.26 174.90 1woi s PRO 246 N 0.56 1.42 -0.95 4.30 0.04 -1.26 -4.29 135.00 134.81 1woi s PRO 246 Ca -0.10 1.17 -0.06 0.00 0.04 0.00 0.00 61.00 62.06 1woi s PRO 246 Cb -0.13 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1woi s PRO 246 CO 0.02 -2.23 0.82 -0.25 0.04 0.00 0.00 177.00 175.40 1woi n ASP 247 N -3.92 -6.79 -1.15 6.66 8.00 -1.26 -4.94 116.55 113.15 1woi n ASP 247 Ca 0.09 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 55.04 1woi n ASP 247 Cb 0.53 -4.86 0.00 0.00 -0.02 0.00 0.00 41.12 36.77 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 -1.49 3.75 3.77 0.44 0.00 -1.26 -4.95 105.19 105.45 1woi n GLY 248 Ca -0.06 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 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 4.41 0.73 0.99 1.43 -0.70 -4.17 118.68 121.38 1woi s LEU 249 Ca 0.00 2.61 -0.09 0.00 -1.03 0.00 0.00 54.13 55.62 1woi s LEU 249 Cb 0.00 -3.69 0.06 0.00 0.03 0.00 0.00 46.19 42.59 1woi s LEU 249 CO 0.00 -0.52 1.07 0.42 0.23 0.00 0.00 176.35 177.55 1woi s THR 250 N -1.17 2.31 0.16 5.49 -4.23 -1.26 -0.21 115.64 116.72 1woi s THR 250 Ca 0.49 -0.13 -0.16 0.00 -1.18 0.00 0.00 61.69 60.71 1woi s THR 250 Cb -0.38 -3.05 0.02 0.00 1.34 0.00 0.00 72.50 70.43 1woi s THR 250 CO 0.50 -0.05 1.81 0.22 -0.54 0.00 0.00 174.62 176.56 1woi h TYR 251 N -0.73 0.50 -0.67 3.99 3.20 -1.97 -2.62 116.97 118.67 1woi h TYR 251 Ca -0.45 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.48 1woi h TYR 251 Cb 1.31 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 39.37 1woi h TYR 251 CO 0.34 0.31 0.39 0.00 -1.64 0.00 0.00 178.16 177.56 1woi h ALA 252 N 1.16 0.89 -0.05 1.82 0.00 -1.99 -1.14 119.26 119.96 1woi h ALA 252 Ca 0.15 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1woi h ALA 252 Cb -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1woi h ALA 252 CO -0.04 0.09 0.01 1.96 0.00 0.00 0.00 179.25 181.27 1woi h GLN 253 N 0.73 0.07 -0.99 0.00 4.20 -1.89 -0.09 115.11 117.13 1woi h GLN 253 Ca 0.29 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.99 1woi h GLN 253 Cb 0.14 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1woi h GLN 253 CO -0.16 0.25 0.64 0.78 -0.67 0.00 0.00 178.83 179.68 1woi h GLY 254 N -0.13 1.40 1.42 3.46 0.00 -1.33 -1.46 103.07 106.44 1woi h GLY 254 Ca 0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 46.71 1woi h GLY 254 CO -0.00 0.53 -0.16 1.98 0.00 0.00 0.00 176.54 178.89 1woi h MET 255 N 1.35 0.68 -0.52 4.80 -1.53 -1.01 -1.38 114.93 117.31 1woi h MET 255 Ca 0.36 -0.23 -0.08 0.00 -3.44 0.00 0.00 59.70 56.30 1woi h MET 255 Cb -0.13 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 30.84 1woi h MET 255 CO -0.08 0.80 -0.01 0.87 0.14 0.00 0.00 176.91 178.64 1woi h LYS 256 N 0.61 0.89 -0.16 0.39 1.57 -0.41 0.13 116.57 119.60 1woi h LYS 256 Ca 0.10 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1woi h LYS 256 Cb 0.61 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1woi h LYS 256 CO 0.04 0.89 0.03 0.82 -0.57 0.00 0.00 179.45 180.67 1woi h ILE 257 N 0.82 1.21 -0.55 1.86 2.04 -0.88 -1.13 117.51 120.88 1woi h ILE 257 Ca 0.15 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.26 1woi h ILE 257 Cb 0.50 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1woi h ILE 257 CO 0.02 0.20 -0.01 -0.07 0.00 0.00 0.00 178.15 178.29 1woi h LEU 258 N 0.05 0.96 -0.58 1.44 3.38 -1.08 -2.34 115.31 117.14 1woi h LEU 258 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 1woi h LEU 258 Cb 0.28 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 1woi h LEU 258 CO 0.00 1.04 0.34 0.00 0.09 0.00 0.00 178.44 179.91 1woi h ALA 259 N 0.96 0.74 -0.40 1.53 0.00 -0.67 0.36 119.26 121.78 1woi h ALA 259 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1woi h ALA 259 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1woi h ALA 259 CO 0.03 0.23 0.25 0.00 0.00 0.00 0.00 179.25 179.77 1woi h ALA 260 N 1.17 0.50 -0.50 0.00 0.00 -1.09 -1.45 119.26 117.90 1woi h ALA 260 Ca 0.21 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1woi h ALA 260 Cb 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1woi h ALA 260 CO -0.04 -0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.03 1woi h ALA 261 N 1.13 0.78 0.00 0.00 0.00 -1.14 -2.85 119.26 117.18 1woi h ALA 261 Ca 0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1woi h ALA 261 Cb -0.03 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1woi h ALA 261 CO -0.03 0.66 -0.15 0.00 0.00 0.00 0.00 179.25 179.73 1woi h ALA 262 N 0.96 1.18 0.00 0.00 0.00 -0.63 -2.37 119.26 118.40 1woi h ALA 262 Ca 0.12 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1woi h ALA 262 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1woi h ALA 262 CO 0.05 0.19 -0.70 0.00 0.00 0.00 0.00 179.25 178.80 1woi h ALA 263 N 1.85 0.61 -0.19 0.00 0.00 -1.03 -3.36 119.26 117.14 1woi h ALA 263 Ca -0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1woi h ALA 263 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1woi h ALA 263 CO 0.02 0.87 0.00 0.09 0.00 0.00 0.00 179.25 180.23 1woi n ASN 264 N -3.36 2.54 -4.05 0.00 3.02 -1.08 -4.93 115.26 107.40 1woi n ASN 264 Ca 0.01 -2.06 -0.13 0.00 -0.03 0.00 0.00 54.58 52.37 1woi n ASN 264 Cb 0.78 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.71 1woi n ASN 264 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1woi s ASN 265 N -1.07 0.32 -0.53 6.41 0.01 -0.91 0.46 114.94 119.63 1woi s ASN 265 Ca 0.14 -1.38 -0.17 0.00 -0.71 0.00 0.00 52.86 50.74 1woi s ASN 265 Cb 0.08 0.43 0.10 0.00 0.41 0.00 0.00 41.25 42.27 1woi s ASN 265 CO 0.08 -0.91 0.53 -0.89 -1.51 0.00 0.00 177.10 174.40 1woi s THR 266 N -4.03 5.11 -0.21 1.60 2.01 -0.29 -4.84 115.64 114.98 1woi s THR 266 Ca 0.37 -1.18 -0.29 0.00 0.31 0.00 0.00 61.69 60.90 1woi s THR 266 Cb 0.05 -4.31 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1woi s THR 266 CO 0.14 -0.84 1.19 -0.69 -0.69 0.00 0.00 174.62 173.73 1woi s VAL 267 N 1.93 4.40 -0.76 3.82 1.01 -1.26 -1.07 120.40 128.47 1woi s VAL 267 Ca 0.06 1.68 0.22 0.00 0.00 0.00 0.00 61.98 63.93 1woi s VAL 267 Cb -0.26 -4.13 -0.23 0.00 0.00 0.00 0.00 36.38 31.75 1woi s VAL 267 CO 0.05 -0.21 0.84 1.33 0.00 0.00 0.00 175.10 177.12 1woi n VAL 268 N 5.48 0.01 0.00 2.92 0.24 0.29 -4.86 118.33 122.42 1woi n VAL 268 Ca 0.13 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1woi n VAL 268 Cb 0.45 0.68 0.00 0.00 -1.47 0.00 0.00 33.84 33.51 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 0.94 3.37 7.63 0.00 -1.25 -4.22 105.19 113.09 1woi n GLY 269 Ca 0.02 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 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 0.17 0.10 0.99 0.20 -0.92 -0.73 118.68 118.50 1woi s LEU 270 Ca 0.00 0.92 0.08 0.00 0.69 0.00 0.00 54.13 55.82 1woi s LEU 270 Cb 0.00 1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 47.38 1woi s LEU 270 CO 0.00 -0.19 -0.21 1.51 -0.29 0.00 0.00 176.35 177.17 1woi s ASP 271 N 0.14 2.56 -0.24 3.68 1.47 0.50 -0.49 116.67 124.29 1woi s ASP 271 Ca -0.01 -0.68 0.01 0.00 1.18 0.00 0.00 52.55 53.05 1woi s ASP 271 Cb -0.03 -0.15 0.06 0.00 -0.34 0.00 0.00 42.92 42.46 1woi s ASP 271 CO 0.01 0.07 -0.06 -0.22 0.68 0.00 0.00 175.17 175.65 1woi s LEU 272 N -1.87 2.69 0.34 2.11 1.98 0.29 -0.86 118.68 123.35 1woi s LEU 272 Ca 0.07 -1.22 0.06 0.00 -2.89 0.00 0.00 54.13 50.15 1woi s LEU 272 Cb -0.10 -1.22 -0.07 0.00 0.66 0.00 0.00 46.19 45.46 1woi s LEU 272 CO 0.04 -0.23 -0.00 0.68 -1.89 0.00 0.00 176.35 174.94 1woi s VAL 273 N 1.36 1.64 -0.30 1.68 -7.23 -0.12 -0.10 120.40 117.33 1woi s VAL 273 Ca -0.06 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.05 1woi s VAL 273 Cb -0.19 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.02 1woi s VAL 273 CO -0.06 -0.11 0.00 -0.62 -0.31 0.00 0.00 175.10 174.00 1woi n GLU 274 N -0.74 -1.17 -2.40 4.82 -0.58 -0.43 -1.98 120.64 118.16 1woi n GLU 274 Ca -0.04 0.45 -0.42 0.00 -0.42 0.00 0.00 57.16 56.73 1woi n GLU 274 Cb 0.65 -4.41 -0.03 0.00 -0.57 0.00 0.00 31.44 27.08 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 -0.64 4.40 -0.45 -4.62 0.20 -1.26 -4.21 118.68 112.11 1woi s LEU 275 Ca 0.00 2.11 0.03 0.00 0.69 0.00 0.00 54.13 56.95 1woi s LEU 275 Cb 0.00 -3.59 0.13 0.00 -0.43 0.00 0.00 46.19 42.30 1woi s LEU 275 CO 0.00 -0.43 0.22 0.00 -0.29 0.00 0.00 176.35 175.85 1woi s ALA 276 N 0.63 2.61 0.31 5.97 0.00 0.81 -3.80 121.76 128.29 1woi s ALA 276 Ca 0.57 -2.79 0.03 0.00 0.00 0.00 0.00 51.96 49.77 1woi s ALA 276 Cb -0.31 -1.98 0.61 0.00 0.00 0.00 0.00 23.12 21.44 1woi s ALA 276 CO 0.32 -1.99 1.88 -1.35 0.00 0.00 0.00 175.76 174.61 1woi h PRO 277 N 6.81 0.90 0.00 0.00 0.11 -1.80 -1.54 132.00 136.48 1woi h PRO 277 Ca -0.05 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1woi h PRO 277 Cb 0.93 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1woi h PRO 277 CO 0.56 0.60 0.00 -2.95 -0.21 0.00 0.00 178.00 176.00 1woi h ASN 278 N 0.93 0.00 -0.39 -2.05 -1.07 -1.93 -2.38 115.58 108.68 1woi h ASN 278 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.81 1woi h ASN 278 Cb 0.42 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.67 1woi h ASN 278 CO -0.20 0.00 0.00 0.18 0.07 0.00 0.00 177.43 177.48 1woi n LEU 279 N -2.55 3.16 -3.46 6.14 4.77 -0.58 -4.67 117.00 119.81 1woi n LEU 279 Ca -0.01 -1.39 -0.29 0.00 -0.03 0.00 0.00 56.01 54.30 1woi n LEU 279 Cb 0.13 -0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 40.85 1woi n LEU 279 CO 0.17 0.69 -0.32 -0.62 -1.33 0.00 0.00 177.39 175.99 1woi s ASP 280 N -1.43 2.93 0.00 -1.43 3.68 -0.90 -4.30 116.67 115.22 1woi s ASP 280 Ca 0.38 -2.11 0.13 0.00 2.13 0.00 0.00 52.55 53.08 1woi s ASP 280 Cb 0.22 -0.36 0.58 0.00 -1.45 0.00 0.00 42.92 41.91 1woi s ASP 280 CO 0.30 -0.32 1.41 -0.81 0.13 0.00 0.00 175.17 175.89 1woi n PRO 281 N 4.12 0.03 0.11 4.34 -0.04 -1.26 -1.93 135.00 140.37 1woi n PRO 281 Ca 0.11 0.26 0.13 0.00 -0.04 0.00 0.00 63.50 63.96 1woi n PRO 281 Cb 0.38 -1.50 0.36 0.00 -0.04 0.00 0.00 33.50 32.70 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 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1woi h THR 282 Cb 0.21 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1woi h THR 282 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1woi n GLY 283 N 1.30 0.58 0.21 5.82 0.00 -0.81 -4.87 105.19 107.41 1woi n GLY 283 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1woi n GLY 283 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1woi h ARG 284 N 1.72 0.00 0.13 1.61 0.11 -1.91 -2.82 114.38 113.21 1woi h ARG 284 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 1woi h ARG 284 Cb 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1woi h ARG 284 CO 0.00 0.30 -0.06 0.77 0.10 0.00 0.00 179.97 181.08 1woi h SER 285 N 0.00 -0.14 0.13 0.08 0.02 -1.89 -0.50 113.55 111.25 1woi h SER 285 Ca -0.00 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.75 1woi h SER 285 Cb 0.66 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 1woi h SER 285 CO 0.04 -0.03 -0.49 1.05 -1.14 0.00 0.00 176.83 176.26 1woi h GLU 286 N -0.25 0.42 -0.20 3.45 9.09 -1.93 -1.42 114.58 123.74 1woi h GLU 286 Ca -0.02 -0.24 -0.01 0.00 0.05 0.00 0.00 59.36 59.15 1woi h GLU 286 Cb 0.20 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.30 1woi h GLU 286 CO 0.03 0.81 0.09 -0.07 0.05 0.00 0.00 179.01 179.92 1woi h LEU 287 N 0.33 0.27 -0.56 3.06 3.38 -1.37 -1.00 115.31 119.41 1woi h LEU 287 Ca 0.02 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.70 1woi h LEU 287 Cb 0.98 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1woi h LEU 287 CO 0.09 0.35 -0.28 -0.07 0.09 0.00 0.00 178.44 178.62 1woi h LEU 288 N 0.18 0.89 -0.75 1.67 4.07 -1.06 -2.63 115.31 117.68 1woi h LEU 288 Ca 0.07 -0.35 -0.13 0.00 0.08 0.00 0.00 57.88 57.54 1woi h LEU 288 Cb 0.16 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.64 1woi h LEU 288 CO -0.01 1.10 -0.58 0.24 -1.08 0.00 0.00 178.44 178.12 1woi h MET 289 N 0.73 0.14 -0.44 1.13 2.86 -1.18 -0.70 114.93 117.48 1woi h MET 289 Ca 0.09 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1woi h MET 289 Cb 0.83 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1woi h MET 289 CO 0.07 0.68 -0.25 0.00 1.06 0.00 0.00 176.91 178.47 1woi h ALA 290 N 1.30 0.73 -0.61 6.32 0.00 -1.15 -2.30 119.26 123.56 1woi h ALA 290 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 1woi h ALA 290 Cb 1.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1woi h ALA 290 CO 0.08 0.66 0.03 -0.09 0.00 0.00 0.00 179.25 179.94 1woi h ARG 291 N 0.78 1.03 -0.74 0.00 2.43 -1.23 -2.28 114.38 114.38 1woi h ARG 291 Ca 0.10 -0.30 0.05 0.00 -0.81 0.00 0.00 59.98 59.02 1woi h ARG 291 Cb 0.81 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.20 1woi h ARG 291 CO 0.07 0.99 0.45 1.25 -1.51 0.00 0.00 179.97 181.22 1woi h LEU 292 N 0.95 0.70 -0.23 3.80 5.85 -0.86 0.37 115.31 125.90 1woi h LEU 292 Ca 0.18 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1woi h LEU 292 Cb 0.50 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1woi h LEU 292 CO 0.02 0.46 0.09 0.58 -0.34 0.00 0.00 178.44 179.26 1woi h VAL 293 N 0.84 1.17 -0.70 1.05 2.07 -1.14 0.48 116.25 120.01 1woi h VAL 293 Ca 0.32 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 67.26 1woi h VAL 293 Cb 0.13 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 1woi h VAL 293 CO -0.16 0.17 0.16 0.24 0.02 0.00 0.00 177.57 178.00 1woi h MET 294 N 0.22 1.12 -0.22 1.57 2.86 -0.81 -1.29 114.93 118.37 1woi h MET 294 Ca 0.08 -0.27 -0.13 0.00 -2.06 0.00 0.00 59.70 57.31 1woi h MET 294 Cb 0.18 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1woi h MET 294 CO -0.01 1.00 -0.41 1.49 1.06 0.00 0.00 176.91 180.04 1woi h GLU 295 N 1.06 0.52 -0.64 1.72 4.81 -0.14 -1.68 114.58 120.23 1woi h GLU 295 Ca 0.22 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1woi h GLU 295 Cb 0.39 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1woi h GLU 295 CO 0.00 0.84 0.28 1.15 -0.73 0.00 0.00 179.01 180.55 1woi h THR 296 N 0.43 1.23 -0.43 0.32 2.02 -0.51 -1.71 112.91 114.26 1woi h THR 296 Ca 0.04 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.48 1woi h THR 296 Cb 0.90 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1woi h THR 296 CO 0.08 0.28 0.08 -0.07 0.37 0.00 0.00 175.52 176.25 1woi h LEU 297 N 0.90 0.60 -0.60 2.58 3.38 -1.00 0.14 115.31 121.31 1woi h LEU 297 Ca 0.22 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.10 1woi h LEU 297 Cb 0.17 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1woi h LEU 297 CO -0.02 0.62 0.39 0.00 0.09 0.00 0.00 178.44 179.52 1woi h GLU 299 N 0.78 0.49 0.24 0.00 4.39 -0.69 -2.47 114.58 117.32 1woi h GLU 299 Ca 0.23 -0.20 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1woi h GLU 299 Cb -0.06 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1woi h GLU 299 CO -0.06 0.73 -0.34 0.28 -1.16 0.00 0.00 179.01 178.45 1woi h VAL 300 N 0.23 0.29 0.00 3.13 2.07 -0.67 -2.08 116.25 119.22 1woi h VAL 300 Ca 0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.58 1woi h VAL 300 Cb 0.55 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1woi h VAL 300 CO 0.03 0.00 0.00 0.49 0.02 0.00 0.00 177.57 178.11 1woi n PHE 301 N -5.44 0.17 0.09 1.57 3.01 -0.40 -1.97 117.46 114.49 1woi n PHE 301 Ca -0.08 0.07 -0.03 0.00 1.01 0.00 0.00 57.45 58.42 1woi n PHE 301 Cb 0.35 -0.62 -0.06 0.00 -0.01 0.00 0.00 39.48 39.14 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 0.00 4.37 3.45 -0.89 -3.34 116.42 120.01 1woi h ASP 302 Ca 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.46 1woi h ASP 302 Cb 0.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.00 1woi h ASP 302 CO 0.00 0.78 -0.16 1.41 -1.57 0.00 0.00 179.24 179.70 1woi n HIS 303 N -3.27 0.00 -2.45 4.55 8.25 -0.83 -5.05 115.22 116.42 1woi n HIS 303 Ca -0.00 -1.14 -0.40 0.00 -0.26 0.00 0.00 57.72 55.91 1woi n HIS 303 Cb 0.86 -0.18 -0.04 0.00 1.12 0.00 0.00 29.99 31.75 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 -2.95 3.44 -2.38 1.59 1.01 -0.85 -4.89 120.40 115.37 1woi s VAL 304 Ca 0.34 1.44 0.19 0.00 0.00 0.00 0.00 61.98 63.94 1woi s VAL 304 Cb 0.31 -3.91 0.15 0.00 0.00 0.00 0.00 36.38 32.93 1woi s VAL 304 CO -0.00 0.33 1.10 0.18 0.00 0.00 0.00 175.10 176.71