#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oel s ALA 3 N 0.00 -0.46 -0.17 -1.46 0.00 -1.26 -1.57 121.76 116.85 2oel s ALA 3 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.69 2oel s ALA 3 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2oel s ALA 3 CO 0.00 -0.29 0.52 0.08 0.00 0.00 0.00 175.76 176.08 2oel s VAL 4 N -1.86 5.13 -0.28 0.00 1.01 0.05 -4.31 120.40 120.13 2oel s VAL 4 Ca -0.10 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 2oel s VAL 4 Cb -0.04 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2oel s VAL 4 CO -0.00 0.23 0.13 -0.32 0.00 0.00 0.00 175.10 175.13 2oel s MET 5 N 1.27 3.66 -0.13 2.72 -2.45 -0.32 -0.83 119.30 123.21 2oel s MET 5 Ca 0.26 -0.50 -0.07 0.00 -1.25 0.00 0.00 55.69 54.13 2oel s MET 5 Cb -0.15 -3.49 -0.04 0.00 1.25 0.00 0.00 34.83 32.40 2oel s MET 5 CO 0.10 -0.25 0.14 0.00 1.05 0.00 0.00 175.02 176.06 2oel s ALA 6 N 1.66 3.85 -0.17 4.11 0.00 -0.01 -1.28 121.76 129.92 2oel s ALA 6 Ca 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2oel s ALA 6 Cb -0.16 -1.98 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 2oel s ALA 6 CO 0.06 0.58 -0.08 0.99 0.00 0.00 0.00 175.76 177.31 2oel s THR 7 N -0.89 3.37 0.20 0.00 2.01 -0.23 -1.13 115.64 118.96 2oel s THR 7 Ca 0.14 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.71 2oel s THR 7 Cb -0.12 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2oel s THR 7 CO 0.03 0.48 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.96 2oel s TYR 8 N 0.78 1.89 -0.21 4.92 2.02 0.15 -0.38 117.35 126.52 2oel s TYR 8 Ca -0.03 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 2oel s TYR 8 Cb -0.15 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.50 2oel s TYR 8 CO 0.02 0.41 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.18 2oel s LEU 9 N -2.97 2.87 0.07 -1.29 2.96 -0.15 0.08 118.68 120.25 2oel s LEU 9 Ca 0.20 -0.39 0.09 0.00 -0.22 0.00 0.00 54.13 53.81 2oel s LEU 9 Cb -0.04 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.89 2oel s LEU 9 CO 0.08 -0.00 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.14 2oel s LEU 10 N 1.36 2.49 -0.10 -0.68 1.02 -0.21 -1.57 118.68 120.98 2oel s LEU 10 Ca 0.04 -0.55 0.01 0.00 0.02 0.00 0.00 54.13 53.66 2oel s LEU 10 Cb -0.14 -1.43 0.02 0.00 0.02 0.00 0.00 46.19 44.66 2oel s LEU 10 CO -0.03 0.23 -0.11 -1.00 0.02 0.00 0.00 176.35 175.46 2oel s HIS 11 N -0.97 1.63 -0.10 0.29 3.76 -0.98 -2.03 115.29 116.89 2oel s HIS 11 Ca 0.15 -0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 54.02 2oel s HIS 11 Cb -0.10 -1.25 0.07 0.00 1.11 0.00 0.00 32.58 32.40 2oel s HIS 11 CO 0.06 -0.45 0.65 0.34 -0.85 0.00 0.00 174.74 174.48 2oel s ASP 12 N 1.26 -0.63 0.00 1.40 2.15 -0.49 -4.33 116.67 116.02 2oel s ASP 12 Ca -0.03 0.82 0.26 0.00 0.43 0.00 0.00 52.55 54.04 2oel s ASP 12 Cb -0.14 0.72 0.71 0.00 -0.30 0.00 0.00 42.92 43.91 2oel s ASP 12 CO -0.04 -0.51 1.56 -1.84 -0.17 0.00 0.00 175.17 174.17 2oel n GLU 13 N 1.37 0.00 -3.77 4.34 0.28 -1.26 -0.29 120.64 121.31 2oel n GLU 13 Ca -0.18 -0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.61 2oel n GLU 13 Cb 0.57 -1.50 -0.03 0.00 1.43 0.00 0.00 31.44 31.90 2oel n GLU 13 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2oel s THR 14 N -3.00 3.68 -0.25 3.84 -4.23 -1.26 -4.87 115.64 109.56 2oel s THR 14 Ca 0.12 -1.30 -0.38 0.00 -1.18 0.00 0.00 61.69 58.95 2oel s THR 14 Cb 0.18 -3.24 -0.14 0.00 1.34 0.00 0.00 72.50 70.64 2oel s THR 14 CO 0.65 -0.18 1.87 -0.67 -0.54 0.00 0.00 174.62 175.75 2oel n ASP 15 N -1.41 2.62 -0.10 3.99 2.03 -1.26 -4.87 116.55 117.54 2oel n ASP 15 Ca -0.02 0.92 -0.08 0.00 0.52 0.00 0.00 54.79 56.13 2oel n ASP 15 Cb 0.59 -1.22 0.07 0.00 -0.72 0.00 0.00 41.12 39.84 2oel n ASP 15 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2oel h ILE 16 N 5.67 1.27 -0.70 5.18 2.04 -1.96 -2.76 117.51 126.24 2oel h ILE 16 Ca -0.43 -1.36 -0.00 0.00 1.00 0.00 0.00 64.86 64.07 2oel h ILE 16 Cb 1.31 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 2oel h ILE 16 CO 0.97 0.46 0.43 -0.09 0.00 0.00 0.00 178.15 179.92 2oel h ARG 17 N 0.71 0.95 -0.44 2.37 2.43 -1.99 0.25 114.38 118.67 2oel h ARG 17 Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2oel h ARG 17 Cb 0.76 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2oel h ARG 17 CO 0.06 0.67 0.28 -0.22 -1.51 0.00 0.00 179.97 179.24 2oel h LYS 18 N 0.96 0.59 -0.59 0.20 3.64 -1.94 0.11 116.57 119.54 2oel h LYS 18 Ca 0.25 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 2oel h LYS 18 Cb -0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2oel h LYS 18 CO -0.05 0.41 0.18 -0.22 -2.27 0.00 0.00 179.45 177.50 2oel h LYS 19 N 0.59 0.91 -0.51 1.90 3.64 -1.12 -0.91 116.57 121.07 2oel h LYS 19 Ca 0.16 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2oel h LYS 19 Cb -0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2oel h LYS 19 CO -0.03 0.82 0.28 0.00 -2.27 0.00 0.00 179.45 178.24 2oel h ALA 20 N 1.05 0.66 -0.52 5.00 0.00 -0.06 -0.49 119.26 124.90 2oel h ALA 20 Ca 0.19 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2oel h ALA 20 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2oel h ALA 20 CO -0.01 0.19 0.07 0.93 0.00 0.00 0.00 179.25 180.43 2oel h GLU 21 N 0.68 0.83 -0.43 0.00 5.08 -0.61 -1.06 114.58 119.07 2oel h GLU 21 Ca 0.18 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2oel h GLU 21 Cb 0.06 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 2oel h GLU 21 CO -0.03 0.79 0.05 0.78 -1.00 0.00 0.00 179.01 179.60 2oel h GLY 22 N 0.98 0.72 0.50 -3.84 0.00 -0.49 -1.63 103.07 99.31 2oel h GLY 22 Ca 0.16 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 2oel h GLY 22 CO 0.01 0.40 -0.08 -2.22 0.00 0.00 0.00 176.54 174.65 2oel h ILE 23 N 0.64 0.95 -1.00 2.60 2.04 -0.47 0.32 117.51 122.59 2oel h ILE 23 Ca 0.14 -0.96 0.16 0.00 1.00 0.00 0.00 64.86 65.21 2oel h ILE 23 Cb 0.32 1.50 -0.10 0.00 -0.74 0.00 0.00 36.82 37.80 2oel h ILE 23 CO 0.01 0.21 0.62 0.00 0.00 0.00 0.00 178.15 178.98 2oel h ALA 24 N -0.04 1.62 0.02 1.87 0.00 -1.12 0.92 119.26 122.53 2oel h ALA 24 Ca -0.02 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2oel h ALA 24 Cb 0.51 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2oel h ALA 24 CO 0.04 0.05 -0.56 1.25 0.00 0.00 0.00 179.25 180.03 2oel h LEU 25 N 0.85 0.05 -1.42 0.00 5.85 -1.31 -3.29 115.31 116.05 2oel h LEU 25 Ca 0.55 -0.83 0.01 0.00 0.84 0.00 0.00 57.88 58.45 2oel h LEU 25 Cb 0.75 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2oel h LEU 25 CO -0.34 1.23 0.39 1.23 -0.34 0.00 0.00 178.44 180.61 2oel h GLY 26 N -0.88 0.83 -2.02 3.75 0.00 -0.16 0.75 103.07 105.33 2oel h GLY 26 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2oel h GLY 26 CO -0.06 0.30 0.00 1.04 0.00 0.00 0.00 176.54 177.83 2oel n LEU 27 N -4.45 3.00 0.00 3.11 4.77 0.30 -4.22 117.00 119.51 2oel n LEU 27 Ca 0.06 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 2oel n LEU 27 Cb 0.05 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 2oel n LEU 27 CO 0.36 0.58 0.00 0.35 -1.33 0.00 0.00 177.39 177.34 2oel n THR 28 N 0.70 0.00 1.02 -5.08 -2.24 -0.91 -4.97 114.28 102.80 2oel n THR 28 Ca 0.16 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 2oel n THR 28 Cb 0.55 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.31 2oel n THR 28 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 2oel n ILE 29 N 0.00 0.00 0.00 2.28 -5.35 -1.15 -4.97 119.36 110.17 2oel n ILE 29 Ca 0.00 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2oel n ILE 29 Cb 0.00 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 37.60 2oel n ILE 29 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2oel n GLY 30 N 1.49 2.05 3.13 3.28 0.00 0.21 -4.87 105.19 110.49 2oel n GLY 30 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2oel n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2oel s THR 31 N 0.00 0.24 0.02 2.61 -4.23 -1.26 -4.36 115.64 108.66 2oel s THR 31 Ca 0.00 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2oel s THR 31 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2oel s THR 31 CO 0.00 -0.72 0.00 1.87 -0.54 0.00 0.00 174.62 175.23 2oel n TRP 32 N -0.01 -0.21 0.27 3.99 -0.00 -1.26 -4.88 117.44 115.33 2oel n TRP 32 Ca -0.10 0.04 0.15 0.00 -0.00 0.00 0.00 57.50 57.59 2oel n TRP 32 Cb 0.62 0.51 0.71 0.00 -0.00 0.00 0.00 31.31 33.15 2oel n TRP 32 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 177.69 179.48 2oel h THR 33 N 0.00 0.00 -0.67 5.87 1.35 -2.01 -1.81 112.91 115.63 2oel h THR 33 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2oel h THR 33 Cb 0.00 0.85 0.00 0.00 -1.73 0.00 0.00 68.15 67.27 2oel h THR 33 CO 0.00 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.37 2oel n ASP 34 N -2.54 4.63 -4.82 5.36 5.75 -1.26 -4.95 116.55 118.72 2oel n ASP 34 Ca -0.01 -2.36 -0.36 0.00 -0.01 0.00 0.00 54.79 52.05 2oel n ASP 34 Cb 0.13 -0.57 -0.07 0.00 -1.03 0.00 0.00 41.12 39.58 2oel n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2oel s LEU 35 N -1.68 4.23 0.97 -2.12 1.43 -0.68 -5.09 118.68 115.74 2oel s LEU 35 Ca 0.51 0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 2oel s LEU 35 Cb 0.32 -2.04 0.18 0.00 0.03 0.00 0.00 46.19 44.68 2oel s LEU 35 CO 0.26 0.36 1.11 -2.84 0.23 0.00 0.00 176.35 175.48 2oel s PRO 36 N -0.74 0.60 0.34 1.29 0.02 -1.26 -4.71 135.00 130.54 2oel s PRO 36 Ca 0.13 1.33 0.03 0.00 0.02 0.00 0.00 61.00 62.51 2oel s PRO 36 Cb -0.12 -1.69 0.61 0.00 0.02 0.00 0.00 34.50 33.32 2oel s PRO 36 CO 0.03 -2.85 1.95 0.00 -0.33 0.00 0.00 177.00 175.80 2oel h ALA 37 N -2.02 1.46 -0.61 -1.55 0.00 -1.98 -1.55 119.26 113.01 2oel h ALA 37 Ca -0.48 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 2oel h ALA 37 Cb 1.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2oel h ALA 37 CO 0.45 0.43 0.14 1.25 0.00 0.00 0.00 179.25 181.51 2oel h LEU 38 N 0.73 0.91 -0.23 0.00 6.46 -2.00 -2.53 115.31 118.65 2oel h LEU 38 Ca 0.18 -0.18 -0.21 0.00 -0.12 0.00 0.00 57.88 57.55 2oel h LEU 38 Cb 0.08 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2oel h LEU 38 CO -0.02 0.89 -0.92 -0.33 -0.62 0.00 0.00 178.44 177.44 2oel h GLU 39 N 0.92 0.20 -0.57 1.25 5.08 -1.80 -2.82 114.58 116.85 2oel h GLU 39 Ca 0.20 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2oel h GLU 39 Cb 0.35 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2oel h GLU 39 CO 0.00 0.98 0.26 1.96 -1.00 0.00 0.00 179.01 181.22 2oel h GLN 40 N 0.10 0.83 -0.04 2.33 4.20 -1.07 0.24 115.11 121.71 2oel h GLN 40 Ca -0.05 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 2oel h GLN 40 Cb 1.56 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 2oel h GLN 40 CO 0.14 0.69 -0.44 1.05 -0.67 0.00 0.00 178.83 179.60 2oel h GLU 41 N 0.78 0.08 -0.12 1.46 4.11 -1.50 0.42 114.58 119.81 2oel h GLU 41 Ca 0.20 -0.04 -0.22 0.00 0.07 0.00 0.00 59.36 59.37 2oel h GLU 41 Cb 0.14 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2oel h GLU 41 CO -0.02 0.50 -0.79 0.37 0.07 0.00 0.00 179.01 179.14 2oel h GLN 42 N 0.07 0.70 -0.02 1.06 4.15 -1.12 -3.30 115.11 116.65 2oel h GLN 42 Ca 0.00 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.83 2oel h GLN 42 Cb 0.80 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.62 2oel h GLN 42 CO 0.06 1.20 -0.10 1.28 -1.93 0.00 0.00 178.83 179.34 2oel n LEU 43 N -3.90 2.28 -0.18 -2.39 7.99 0.79 -4.50 117.00 117.09 2oel n LEU 43 Ca -0.07 -0.77 -0.01 0.00 -0.01 0.00 0.00 56.01 55.16 2oel n LEU 43 Cb 0.75 -0.01 0.08 0.00 -0.11 0.00 0.00 43.42 44.14 2oel n LEU 43 CO 0.52 0.39 0.88 -0.09 -1.51 0.00 0.00 177.39 177.58 2oel h ARG 44 N 3.42 0.17 0.00 3.23 9.65 -0.99 -0.59 114.38 129.27 2oel h ARG 44 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2oel h ARG 44 Cb 0.79 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2oel h ARG 44 CO 0.00 0.12 0.00 1.57 2.80 0.00 0.00 179.97 184.46 2oel h LYS 45 N 0.18 0.00 -0.02 0.20 2.10 -1.82 -2.02 116.57 115.19 2oel h LYS 45 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2oel h LYS 45 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 2oel h LYS 45 CO -0.42 0.00 -0.40 0.72 -2.00 0.00 0.00 179.45 177.35 2oel n HIS 46 N -2.39 0.00 -2.44 0.07 8.25 -0.25 -4.75 115.22 113.72 2oel n HIS 46 Ca -0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 2oel n HIS 46 Cb 0.11 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.18 2oel n HIS 46 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2oel s LYS 47 N -2.43 4.30 0.68 -0.41 2.20 -0.76 -4.24 119.74 119.07 2oel s LYS 47 Ca 0.20 1.68 -0.11 0.00 -0.36 0.00 0.00 55.97 57.38 2oel s LYS 47 Cb 0.18 -3.65 -0.00 0.00 -1.51 0.00 0.00 37.83 32.86 2oel s LYS 47 CO 0.54 -0.56 1.06 0.20 -0.36 0.00 0.00 175.35 176.22 2oel s GLY 48 N 1.70 1.67 -0.03 5.54 0.00 -1.24 -4.71 107.32 110.25 2oel s GLY 48 Ca 0.56 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 45.25 2oel s GLY 48 CO 0.19 0.35 0.18 -0.54 0.00 0.00 0.00 173.10 173.28 2oel s GLU 49 N -5.07 0.38 -0.23 2.90 0.41 -0.82 -4.61 118.70 111.66 2oel s GLU 49 Ca 0.57 -0.08 -0.29 0.00 -0.41 0.00 0.00 54.97 54.76 2oel s GLU 49 Cb -0.13 0.17 0.01 0.00 -1.78 0.00 0.00 34.13 32.39 2oel s GLU 49 CO 0.55 -0.08 1.06 0.08 -0.49 0.00 0.00 175.26 176.38 2oel s VAL 50 N -0.71 4.63 -0.05 2.63 1.01 -1.26 -0.26 120.40 126.38 2oel s VAL 50 Ca -0.08 1.96 -0.06 0.00 0.00 0.00 0.00 61.98 63.79 2oel s VAL 50 Cb -0.05 -4.29 -0.28 0.00 0.00 0.00 0.00 36.38 31.76 2oel s VAL 50 CO 0.01 -0.21 0.65 0.58 0.00 0.00 0.00 175.10 176.13 2oel h VAL 51 N 5.49 0.91 -2.29 2.92 2.07 -0.67 -3.48 116.25 121.19 2oel h VAL 51 Ca -0.20 -2.56 0.04 0.00 0.82 0.00 0.00 66.70 64.80 2oel h VAL 51 Cb 1.06 2.68 -0.16 0.00 -1.52 0.00 0.00 31.29 33.35 2oel h VAL 51 CO 0.98 0.83 0.37 0.00 0.02 0.00 0.00 177.57 179.77 2oel s ALA 52 N -2.59 -1.77 -0.04 1.67 0.00 -1.15 -5.00 121.76 112.89 2oel s ALA 52 Ca -0.15 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.83 2oel s ALA 52 Cb 0.06 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.48 2oel s ALA 52 CO 0.83 -0.58 0.07 0.42 0.00 0.00 0.00 175.76 176.50 2oel s ILE 53 N -2.55 -0.12 -0.28 0.00 1.01 -1.26 -1.08 121.20 116.93 2oel s ILE 53 Ca -0.01 0.40 -0.05 0.00 0.00 0.00 0.00 60.65 61.00 2oel s ILE 53 Cb -0.01 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.33 2oel s ILE 53 CO -0.04 0.17 0.03 -0.70 0.00 0.00 0.00 174.94 174.39 2oel s GLU 54 N 2.06 2.92 0.13 2.79 2.12 -0.17 -4.97 118.70 123.58 2oel s GLU 54 Ca 0.03 -0.95 -0.31 0.00 0.36 0.00 0.00 54.97 54.10 2oel s GLU 54 Cb -0.12 -3.23 -0.08 0.00 0.26 0.00 0.00 34.13 30.96 2oel s GLU 54 CO -0.03 -0.46 1.38 -1.21 -0.54 0.00 0.00 175.26 174.40 2oel s GLU 55 N 1.41 4.33 0.00 4.30 0.41 -1.26 -1.38 118.70 126.51 2oel s GLU 55 Ca 0.01 2.08 0.12 0.00 -0.41 0.00 0.00 54.97 56.76 2oel s GLU 55 Cb -0.17 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 28.89 2oel s GLU 55 CO -0.00 -0.41 0.62 1.28 -0.49 0.00 0.00 175.26 176.26 2oel n LEU 56 N 3.69 1.02 -0.22 1.80 4.77 -0.54 -4.95 117.00 122.57 2oel n LEU 56 Ca 0.10 -0.66 0.02 0.00 -0.03 0.00 0.00 56.01 55.45 2oel n LEU 56 Cb 0.42 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2oel n LEU 56 CO 0.58 0.21 -0.09 0.61 -1.33 0.00 0.00 177.39 177.38 2oel n GLY 57 N 1.10 -2.79 3.85 -0.72 0.00 -1.25 -4.95 105.19 100.42 2oel n GLY 57 Ca 0.04 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.38 2oel n GLY 57 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oel s GLU 58 N -3.42 3.92 -0.19 1.61 2.02 -1.26 -4.25 118.70 117.14 2oel s GLU 58 Ca 0.00 0.93 -0.01 0.00 0.02 0.00 0.00 54.97 55.90 2oel s GLU 58 Cb 0.00 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 32.09 2oel s GLU 58 CO 0.00 -0.28 -0.12 0.45 0.02 0.00 0.00 175.26 175.33 2oel s SER 59 N -3.14 3.80 0.32 -0.19 0.15 -1.26 -4.99 113.70 108.39 2oel s SER 59 Ca 0.58 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.80 2oel s SER 59 Cb -0.10 -1.62 0.55 0.00 -1.71 0.00 0.00 66.02 63.14 2oel s SER 59 CO 0.33 0.01 1.81 -0.33 1.20 0.00 0.00 173.24 176.26 2oel h GLU 60 N 7.85 0.44 -0.17 5.44 4.39 -1.97 0.16 114.58 130.71 2oel h GLU 60 Ca -0.41 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 2oel h GLU 60 Cb 1.16 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2oel h GLU 60 CO 0.61 0.58 0.10 -0.09 -1.16 0.00 0.00 179.01 179.05 2oel h ARG 61 N 0.41 0.24 -0.25 2.33 2.43 -1.99 0.10 114.38 117.65 2oel h ARG 61 Ca 0.08 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2oel h ARG 61 Cb 0.49 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2oel h ARG 61 CO 0.03 0.21 -0.02 0.28 -1.51 0.00 0.00 179.97 178.96 2oel h VAL 62 N 0.20 1.26 -0.59 0.20 2.07 -1.88 -2.04 116.25 115.48 2oel h VAL 62 Ca 0.06 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.69 2oel h VAL 62 Cb 0.03 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 2oel h VAL 62 CO -0.01 0.30 0.28 0.78 0.02 0.00 0.00 177.57 178.94 2oel h ASN 63 N 0.22 0.38 -0.57 0.57 4.21 -0.49 -0.46 115.58 119.44 2oel h ASN 63 Ca 0.07 0.04 -0.04 0.00 1.21 0.00 0.00 56.30 57.58 2oel h ASN 63 Cb 0.45 -0.02 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 2oel h ASN 63 CO 0.02 0.25 0.20 0.00 -1.29 0.00 0.00 177.43 176.60 2oel h ALA 64 N 1.34 0.74 0.24 -0.83 0.00 -0.71 0.30 119.26 120.34 2oel h ALA 64 Ca 0.27 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2oel h ALA 64 Cb 0.22 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2oel h ALA 64 CO -0.21 0.39 -0.13 -0.92 0.00 0.00 0.00 179.25 178.38 2oel h TYR 65 N 0.79 -0.34 0.00 0.00 3.20 -0.65 -2.80 116.97 117.18 2oel h TYR 65 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2oel h TYR 65 Cb 0.25 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.64 2oel h TYR 65 CO 0.01 -0.21 0.00 1.19 -1.64 0.00 0.00 178.16 177.52 2oel n PHE 66 N -5.25 0.88 -1.89 -3.82 3.72 -0.25 -4.92 117.46 105.93 2oel n PHE 66 Ca -0.09 0.28 -0.07 0.00 -0.05 0.00 0.00 57.45 57.52 2oel n PHE 66 Cb 0.17 -0.96 -0.01 0.00 -0.94 0.00 0.00 39.48 37.74 2oel n PHE 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oel n GLY 67 N 0.89 0.30 3.65 1.37 0.00 0.97 -5.00 105.19 107.36 2oel n GLY 67 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.37 2oel n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oel s LYS 68 N -3.89 1.03 -0.29 1.61 -2.85 -0.68 -5.02 119.74 109.65 2oel s LYS 68 Ca 0.00 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.18 2oel s LYS 68 Cb 0.00 0.39 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 2oel s LYS 68 CO 0.00 -0.46 1.05 1.03 0.10 0.00 0.00 175.35 177.07 2oel s ARG 69 N -3.20 4.12 -0.19 1.78 0.52 -1.26 -4.30 118.95 116.42 2oel s ARG 69 Ca 0.09 1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 56.44 2oel s ARG 69 Cb -0.01 -3.71 0.01 0.00 0.52 0.00 0.00 34.95 31.76 2oel s ARG 69 CO -0.03 -0.81 -0.16 -0.51 0.02 0.00 0.00 175.30 173.81 2oel s LEU 70 N 3.49 2.34 0.56 2.53 1.43 -1.26 -4.33 118.68 123.43 2oel s LEU 70 Ca 0.44 -0.57 -0.18 0.00 -1.03 0.00 0.00 54.13 52.80 2oel s LEU 70 Cb -0.13 -1.55 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 2oel s LEU 70 CO 0.12 0.01 1.07 -0.54 0.23 0.00 0.00 176.35 177.24 2oel s LYS 71 N 1.28 3.43 0.02 1.70 1.02 0.60 -4.48 119.74 123.31 2oel s LYS 71 Ca 0.04 1.33 0.04 0.00 0.02 0.00 0.00 55.97 57.40 2oel s LYS 71 Cb -0.14 -2.04 -0.02 0.00 -0.52 0.00 0.00 37.83 35.12 2oel s LYS 71 CO -0.09 -0.73 -0.12 1.03 -0.92 0.00 0.00 175.35 174.51 2oel s ARG 72 N -3.70 0.88 -0.08 1.68 0.52 -1.26 -1.40 118.95 115.60 2oel s ARG 72 Ca 0.66 -0.61 -0.30 0.00 -0.52 0.00 0.00 55.73 54.96 2oel s ARG 72 Cb -0.18 -0.86 0.09 0.00 0.52 0.00 0.00 34.95 34.53 2oel s ARG 72 CO 0.30 0.22 0.80 0.00 0.02 0.00 0.00 175.30 176.64 2oel s ALA 73 N -0.65 -1.82 -0.29 2.13 0.00 -0.86 -1.47 121.76 118.80 2oel s ALA 73 Ca 0.02 1.37 -0.14 0.00 0.00 0.00 0.00 51.96 53.21 2oel s ALA 73 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.82 2oel s ALA 73 CO 0.01 -0.37 0.34 0.42 0.00 0.00 0.00 175.76 176.15 2oel s ILE 74 N -1.33 5.19 -0.09 0.00 -1.09 -0.48 -1.05 121.20 122.36 2oel s ILE 74 Ca -0.07 0.40 0.02 0.00 -2.23 0.00 0.00 60.65 58.77 2oel s ILE 74 Cb -0.00 -3.69 -0.02 0.00 -1.58 0.00 0.00 42.46 37.16 2oel s ILE 74 CO 0.05 0.12 -0.14 -0.69 -1.23 0.00 0.00 174.94 173.06 2oel s VAL 75 N 2.01 3.06 -0.15 2.92 1.01 0.11 -1.00 120.40 128.37 2oel s VAL 75 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.42 2oel s VAL 75 Cb -0.16 -2.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 2oel s VAL 75 CO 0.10 0.56 -0.15 -0.54 0.00 0.00 0.00 175.10 175.07 2oel s LYS 76 N -0.21 3.23 -0.02 2.72 1.02 -0.24 0.32 119.74 126.56 2oel s LYS 76 Ca 0.01 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.30 2oel s LYS 76 Cb -0.13 -2.62 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 2oel s LYS 76 CO 0.03 0.03 -0.16 0.42 -0.92 0.00 0.00 175.35 174.75 2oel s ILE 77 N 0.78 1.31 -0.23 2.17 1.01 -0.28 0.12 121.20 126.07 2oel s ILE 77 Ca -0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 60.65 59.81 2oel s ILE 77 Cb -0.15 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 2oel s ILE 77 CO 0.00 0.37 0.11 0.00 0.00 0.00 0.00 174.94 175.43 2oel s ALA 78 N -0.28 3.41 -0.27 9.38 0.00 0.64 -0.83 121.76 133.83 2oel s ALA 78 Ca 0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2oel s ALA 78 Cb -0.08 -2.16 0.02 0.00 0.00 0.00 0.00 23.12 20.90 2oel s ALA 78 CO -0.00 -0.22 0.00 0.71 0.00 0.00 0.00 175.76 176.25 2oel s TYR 79 N 1.11 3.10 0.22 0.00 2.02 -0.01 -1.95 117.35 121.85 2oel s TYR 79 Ca 0.06 -1.28 -0.32 0.00 -0.37 0.00 0.00 57.07 55.16 2oel s TYR 79 Cb -0.14 -2.14 -0.13 0.00 -0.40 0.00 0.00 41.96 39.14 2oel s TYR 79 CO 0.04 -0.65 1.49 -2.30 -1.57 0.00 0.00 175.55 172.56 2oel n PRO 80 N 4.76 2.19 0.22 -1.71 -0.02 -1.26 -0.77 135.00 138.40 2oel n PRO 80 Ca -0.16 0.78 0.15 0.00 -2.02 0.00 0.00 63.50 62.26 2oel n PRO 80 Cb 0.48 -2.50 0.67 0.00 -0.02 0.00 0.00 33.50 32.12 2oel n PRO 80 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2oel h THR 81 N 3.28 0.00 0.00 3.45 1.35 -1.63 -2.01 112.91 117.35 2oel h THR 81 Ca -0.45 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 2oel h THR 81 Cb 1.26 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2oel h THR 81 CO 0.81 0.00 0.00 1.33 -0.25 0.00 0.00 175.52 177.41 2oel n VAL 82 N -2.67 0.18 0.21 6.82 0.24 -1.26 -2.97 118.33 118.88 2oel n VAL 82 Ca 0.01 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.47 2oel n VAL 82 Cb 0.22 -0.67 0.12 0.00 -1.47 0.00 0.00 33.84 32.05 2oel n VAL 82 CO 0.00 0.00 0.00 0.78 -2.14 0.00 0.00 176.83 175.47 2oel h ASN 83 N 0.00 0.00 -5.22 -1.34 4.21 -1.72 -3.48 115.58 108.03 2oel h ASN 83 Ca 0.00 -0.01 -0.11 0.00 1.21 0.00 0.00 56.30 57.39 2oel h ASN 83 Cb 0.14 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 37.20 2oel h ASN 83 CO 0.00 0.00 -0.54 0.72 -1.29 0.00 0.00 177.43 176.32 2oel s PHE 84 N -3.26 0.40 0.65 1.19 -0.12 -1.16 -5.13 117.98 110.56 2oel s PHE 84 Ca 0.05 -0.88 -0.15 0.00 -0.05 0.00 0.00 56.93 55.89 2oel s PHE 84 Cb 0.07 -0.26 -0.00 0.00 -0.63 0.00 0.00 43.02 42.20 2oel s PHE 84 CO 0.71 -0.47 1.10 -1.54 -0.05 0.00 0.00 175.22 174.97 2oel s SER 85 N -2.91 5.21 -1.46 1.98 1.04 -1.26 -4.91 113.70 111.39 2oel s SER 85 Ca 0.08 1.96 -0.13 0.00 0.48 0.00 0.00 55.95 58.33 2oel s SER 85 Cb 0.07 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.68 2oel s SER 85 CO -0.09 -1.56 2.26 0.00 0.98 0.00 0.00 173.24 174.83 2oel n ALA 86 N -2.40 5.72 -2.88 5.32 0.00 -1.26 -4.62 120.51 120.39 2oel n ALA 86 Ca 0.10 -3.89 -0.10 0.00 0.00 0.00 0.00 53.44 49.55 2oel n ALA 86 Cb 0.52 -3.47 -0.09 0.00 0.00 0.00 0.00 19.45 16.41 2oel n ALA 86 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2oel s ASP 87 N 2.89 0.06 0.29 0.00 1.47 -1.26 -5.00 116.67 115.12 2oel s ASP 87 Ca 0.48 -0.37 -0.02 0.00 1.18 0.00 0.00 52.55 53.83 2oel s ASP 87 Cb 0.14 0.26 0.43 0.00 -0.34 0.00 0.00 42.92 43.41 2oel s ASP 87 CO -0.08 -0.52 1.89 -0.07 0.68 0.00 0.00 175.17 177.08 2oel h LEU 88 N 3.63 0.85 -0.94 2.11 3.38 -1.97 -1.93 115.31 120.44 2oel h LEU 88 Ca -0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.54 2oel h LEU 88 Cb 1.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 2oel h LEU 88 CO 0.47 0.72 0.46 -0.65 0.09 0.00 0.00 178.44 179.54 2oel h PRO 89 N 0.94 1.21 -0.51 1.13 0.11 -1.97 -0.40 132.00 132.50 2oel h PRO 89 Ca 0.23 -0.15 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 2oel h PRO 89 Cb 0.10 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 2oel h PRO 89 CO -0.03 0.89 -0.14 0.00 -0.21 0.00 0.00 178.00 178.51 2oel h ALA 90 N 1.30 0.77 -0.20 -0.75 0.00 -1.78 -1.44 119.26 117.16 2oel h ALA 90 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2oel h ALA 90 Cb 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2oel h ALA 90 CO -0.05 0.67 0.13 1.25 0.00 0.00 0.00 179.25 181.25 2oel h LEU 91 N 0.87 0.23 -0.47 0.00 5.85 -0.76 -0.56 115.31 120.47 2oel h LEU 91 Ca 0.13 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 2oel h LEU 91 Cb 0.71 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2oel h LEU 91 CO 0.05 0.18 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.26 2oel h LEU 92 N 0.26 0.83 -0.80 2.25 3.38 -0.98 -1.75 115.31 118.49 2oel h LEU 92 Ca 0.07 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.63 2oel h LEU 92 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 2oel h LEU 92 CO -0.02 0.94 -0.15 0.58 0.09 0.00 0.00 178.44 179.88 2oel h VAL 93 N 0.70 1.26 -0.18 1.22 2.07 -1.17 0.16 116.25 120.32 2oel h VAL 93 Ca 0.13 -1.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 2oel h VAL 93 Cb 0.52 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2oel h VAL 93 CO 0.03 0.41 -0.22 0.74 0.02 0.00 0.00 177.57 178.54 2oel h THR 94 N 0.66 1.34 0.00 2.57 2.02 -0.98 -2.37 112.91 116.15 2oel h THR 94 Ca 0.11 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.88 2oel h THR 94 Cb 0.63 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.88 2oel h THR 94 CO 0.04 0.43 -0.80 0.35 0.37 0.00 0.00 175.52 175.91 2oel n THR 95 N -4.44 0.36 -2.68 3.16 -2.24 -0.67 -4.60 114.28 103.16 2oel n THR 95 Ca -0.06 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.36 2oel n THR 95 Cb 0.42 -0.09 0.12 0.00 -2.10 0.00 0.00 70.33 68.68 2oel n THR 95 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2oel n PHE 96 N -2.19 -2.18 0.00 4.78 7.35 0.56 -4.90 117.46 120.89 2oel n PHE 96 Ca 0.02 -1.82 0.00 0.00 -0.76 0.00 0.00 57.45 54.89 2oel n PHE 96 Cb 0.46 1.55 0.00 0.00 0.35 0.00 0.00 39.48 41.84 2oel n PHE 96 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2oel n GLY 97 N -1.12 0.44 0.28 7.13 0.00 -0.89 -3.96 105.19 107.07 2oel n GLY 97 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2oel n GLY 97 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oel h LYS 98 N 0.00 0.41 -0.00 1.61 3.64 -1.92 -2.21 116.57 118.10 2oel h LYS 98 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2oel h LYS 98 Cb 0.00 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2oel h LYS 98 CO 0.00 0.37 0.00 1.25 -2.27 0.00 0.00 179.45 178.81 2oel h LEU 99 N 0.41 0.00 -0.95 5.20 5.85 -1.89 -0.47 115.31 123.45 2oel h LEU 99 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2oel h LEU 99 Cb 0.15 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2oel h LEU 99 CO -0.01 0.00 0.00 0.77 -0.34 0.00 0.00 178.44 178.86 2oel h SER 100 N 0.00 0.00 0.17 1.25 4.64 -1.52 -2.16 113.55 115.93 2oel h SER 100 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oel h SER 100 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2oel h SER 100 CO -0.00 0.00 -0.69 0.18 -0.87 0.00 0.00 176.83 175.45 2oel n LEU 101 N -2.30 1.02 -3.37 5.97 4.77 -0.19 -4.73 117.00 118.17 2oel n LEU 101 Ca 0.01 -0.37 -0.39 0.00 -0.03 0.00 0.00 56.01 55.23 2oel n LEU 101 Cb 0.18 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2oel n LEU 101 CO 0.18 0.23 3.26 -0.67 -1.33 0.00 0.00 177.39 179.05 2oel n ASP 102 N -1.18 8.17 0.00 -1.43 -0.08 -0.82 -4.96 116.55 116.25 2oel n ASP 102 Ca 0.06 -2.64 0.00 0.00 -1.51 0.00 0.00 54.79 50.70 2oel n ASP 102 Cb 0.35 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.26 2oel n ASP 102 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2oel n GLY 103 N 3.51 2.58 3.45 0.27 0.00 -1.26 -4.35 105.19 109.39 2oel n GLY 103 Ca 0.75 -0.35 -0.44 0.00 0.00 0.00 0.00 46.02 45.98 2oel n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2oel s GLU 104 N 0.00 3.61 -0.03 1.61 8.01 -1.26 -4.95 118.70 125.69 2oel s GLU 104 Ca 0.00 -1.80 0.00 0.00 0.01 0.00 0.00 54.97 53.19 2oel s GLU 104 Cb 0.00 -4.91 0.03 0.00 -4.31 0.00 0.00 34.13 24.94 2oel s GLU 104 CO 0.00 -1.76 -0.00 0.08 0.01 0.00 0.00 175.26 173.59 2oel s VAL 105 N 2.58 0.21 -0.06 2.63 1.01 -1.07 -2.31 120.40 123.39 2oel s VAL 105 Ca 0.32 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.40 2oel s VAL 105 Cb -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 36.38 36.04 2oel s VAL 105 CO -0.09 0.15 -0.14 -0.60 0.00 0.00 0.00 175.10 174.42 2oel s ARG 106 N 1.00 1.81 -0.33 2.72 3.52 -0.61 -4.04 118.95 123.01 2oel s ARG 106 Ca -0.10 -0.49 -0.26 0.00 -0.13 0.00 0.00 55.73 54.75 2oel s ARG 106 Cb -0.14 -1.49 0.01 0.00 -1.56 0.00 0.00 34.95 31.77 2oel s ARG 106 CO -0.02 0.09 0.92 -1.17 -0.81 0.00 0.00 175.30 174.31 2oel s LEU 107 N 0.49 4.02 -0.15 -0.88 2.96 0.10 -0.98 118.68 124.24 2oel s LEU 107 Ca -0.12 0.73 0.07 0.00 -0.22 0.00 0.00 54.13 54.59 2oel s LEU 107 Cb -0.15 -3.27 -0.23 0.00 0.50 0.00 0.00 46.19 43.04 2oel s LEU 107 CO 0.04 -0.77 0.25 0.18 -1.32 0.00 0.00 176.35 174.73 2oel n LEU 108 N 6.59 1.53 -3.56 -0.68 4.77 0.49 -0.41 117.00 125.72 2oel n LEU 108 Ca 0.07 0.14 -0.08 0.00 -0.03 0.00 0.00 56.01 56.11 2oel n LEU 108 Cb 0.48 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2oel n LEU 108 CO 0.55 0.65 0.63 -0.62 -1.33 0.00 0.00 177.39 177.27 2oel s ASP 109 N -6.26 -0.36 -0.02 -1.43 2.15 -1.05 -4.52 116.67 105.18 2oel s ASP 109 Ca -0.17 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.70 2oel s ASP 109 Cb 0.07 0.46 0.01 0.00 -0.30 0.00 0.00 42.92 43.17 2oel s ASP 109 CO 0.77 -0.78 -0.01 -0.76 -0.17 0.00 0.00 175.17 174.21 2oel s LEU 110 N -2.65 1.58 -0.05 -1.34 1.43 -1.26 -1.07 118.68 115.32 2oel s LEU 110 Ca 0.06 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2oel s LEU 110 Cb -0.01 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.03 2oel s LEU 110 CO -0.06 -0.03 -0.17 -1.61 0.23 0.00 0.00 176.35 174.70 2oel s GLU 111 N 0.48 1.91 0.13 1.70 2.02 -0.41 -4.98 118.70 119.56 2oel s GLU 111 Ca -0.05 -0.60 0.10 0.00 0.02 0.00 0.00 54.97 54.44 2oel s GLU 111 Cb -0.07 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.51 2oel s GLU 111 CO -0.01 0.20 -0.23 -0.06 0.02 0.00 0.00 175.26 175.18 2oel s PHE 112 N 0.18 2.06 0.60 1.61 0.08 -1.26 -1.18 117.98 120.06 2oel s PHE 112 Ca -0.07 -0.40 -0.18 0.00 0.12 0.00 0.00 56.93 56.40 2oel s PHE 112 Cb -0.13 -1.10 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 2oel s PHE 112 CO 0.03 0.31 1.16 -2.14 -0.10 0.00 0.00 175.22 174.48 2oel s PRO 113 N -2.15 3.00 0.25 0.24 0.02 -1.26 -4.82 135.00 130.28 2oel s PRO 113 Ca 0.12 1.67 -0.04 0.00 0.02 0.00 0.00 61.00 62.77 2oel s PRO 113 Cb -0.09 -1.95 0.36 0.00 0.02 0.00 0.00 34.50 32.84 2oel s PRO 113 CO 0.06 -1.14 1.86 0.22 -0.33 0.00 0.00 177.00 177.67 2oel h ASP 114 N 0.75 0.91 -0.53 2.53 3.58 -1.99 -1.55 116.42 120.11 2oel h ASP 114 Ca -0.49 0.02 0.02 0.00 0.42 0.00 0.00 57.03 56.99 2oel h ASP 114 Cb 1.28 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 42.12 2oel h ASP 114 CO 0.55 0.58 0.35 -0.08 -2.88 0.00 0.00 179.24 177.76 2oel h GLU 115 N 1.04 0.63 -0.18 0.28 4.81 -2.00 -1.80 114.58 117.36 2oel h GLU 115 Ca 0.40 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.41 2oel h GLU 115 Cb 0.18 -0.14 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2oel h GLU 115 CO -0.18 0.42 -0.58 2.35 -0.73 0.00 0.00 179.01 180.29 2oel h TRP 116 N 0.65 0.93 -0.92 0.92 7.01 -1.67 -3.18 115.95 119.68 2oel h TRP 116 Ca 0.21 -0.38 0.07 0.00 2.11 0.00 0.00 58.89 60.90 2oel h TRP 116 Cb 0.04 -0.16 -0.06 0.00 -2.10 0.00 0.00 29.16 26.88 2oel h TRP 116 CO -0.00 1.18 0.60 0.87 -2.79 0.00 0.00 178.44 178.30 2oel h LYS 117 N 0.41 1.01 0.00 2.65 1.57 -0.71 -1.76 116.57 119.74 2oel h LYS 117 Ca -0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2oel h LYS 117 Cb 1.21 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.29 2oel h LYS 117 CO 0.12 0.67 0.00 0.54 -0.57 0.00 0.00 179.45 180.21 2oel n ARG 118 N -4.50 0.02 -0.02 3.15 1.74 -0.74 -0.78 116.66 115.53 2oel n ARG 118 Ca 0.14 0.37 0.12 0.00 -0.77 0.00 0.00 57.85 57.71 2oel n ARG 118 Cb 0.21 -1.50 0.57 0.00 -1.02 0.00 0.00 32.46 30.72 2oel n ARG 118 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2oel n GLN 119 N -1.42 1.41 -4.40 5.56 6.02 -0.66 -4.81 117.38 119.07 2oel n GLN 119 Ca 0.01 -0.61 -0.28 0.00 -0.01 0.00 0.00 57.00 56.12 2oel n GLN 119 Cb 0.04 -1.42 -0.12 0.00 1.02 0.00 0.00 30.24 29.76 2oel n GLN 119 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2oel s PHE 120 N -1.94 2.28 0.09 1.08 0.08 0.04 -5.04 117.98 114.58 2oel s PHE 120 Ca 0.36 -0.37 -0.07 0.00 0.12 0.00 0.00 56.93 56.97 2oel s PHE 120 Cb 0.18 -1.18 -0.20 0.00 -0.57 0.00 0.00 43.02 41.26 2oel s PHE 120 CO 0.29 0.42 1.21 -1.00 -0.10 0.00 0.00 175.22 176.04 2oel h PRO 121 N 3.53 0.43 0.00 0.24 0.13 -1.84 -3.50 132.00 131.00 2oel h PRO 121 Ca -0.48 -0.56 0.11 0.00 -0.87 0.00 0.00 66.00 64.20 2oel h PRO 121 Cb 1.19 0.18 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 2oel h PRO 121 CO 0.44 1.21 -0.15 0.41 -0.23 0.00 0.00 178.00 179.68 2oel n GLY 122 N 1.22 -2.07 3.76 1.56 0.00 -0.23 -4.80 105.19 104.62 2oel n GLY 122 Ca -0.09 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.18 2oel n GLY 122 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2oel s PRO 123 N -1.18 3.17 0.06 1.61 0.02 -1.18 -3.87 135.00 133.62 2oel s PRO 123 Ca 0.00 1.90 -0.10 0.00 0.02 0.00 0.00 61.00 62.82 2oel s PRO 123 Cb 0.00 -2.09 -0.31 0.00 0.02 0.00 0.00 34.50 32.11 2oel s PRO 123 CO 0.00 -1.06 1.08 -0.09 -0.33 0.00 0.00 177.00 176.60 2oel h ARG 124 N 1.25 0.41 0.00 5.54 2.43 -1.87 -3.41 114.38 118.73 2oel h ARG 124 Ca -0.50 -0.69 -0.25 0.00 -0.81 0.00 0.00 59.98 57.73 2oel h ARG 124 Cb 1.29 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 31.05 2oel h ARG 124 CO 0.57 1.33 -1.86 1.19 -1.51 0.00 0.00 179.97 179.69 2oel n PHE 125 N -3.63 0.00 -2.67 2.20 3.72 -1.26 -5.01 117.46 110.81 2oel n PHE 125 Ca -0.12 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.32 2oel n PHE 125 Cb 1.06 -0.56 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 2oel n PHE 125 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oel n GLY 126 N 2.31 -1.80 0.16 1.37 0.00 -1.26 -1.98 105.19 103.99 2oel n GLY 126 Ca -0.29 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.40 2oel n GLY 126 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2oel h ILE 127 N -0.32 0.75 -0.22 -0.61 2.04 -1.08 -0.71 117.51 117.37 2oel h ILE 127 Ca 0.01 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2oel h ILE 127 Cb 0.31 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 2oel h ILE 127 CO 0.00 0.03 0.13 0.44 0.00 0.00 0.00 178.15 178.75 2oel h ASP 128 N 0.15 0.20 -0.72 1.72 3.45 -1.86 -1.52 116.42 117.85 2oel h ASP 128 Ca 0.19 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.62 2oel h ASP 128 Cb 0.25 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 2oel h ASP 128 CO -0.28 0.15 0.31 1.23 -1.57 0.00 0.00 179.24 179.08 2oel h GLY 129 N 0.26 1.13 0.92 2.75 0.00 -1.07 -2.33 103.07 104.75 2oel h GLY 129 Ca 0.09 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 2oel h GLY 129 CO -0.04 0.56 0.12 -2.22 0.00 0.00 0.00 176.54 174.96 2oel h ILE 130 N 1.02 1.20 -0.91 2.60 1.08 -0.94 -1.35 117.51 120.21 2oel h ILE 130 Ca 0.24 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 64.10 2oel h ILE 130 Cb 0.17 0.97 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 2oel h ILE 130 CO -0.02 0.23 0.60 0.03 -0.69 0.00 0.00 178.15 178.29 2oel h ARG 131 N 0.42 1.08 -0.39 2.37 3.08 -1.13 -0.65 114.38 119.16 2oel h ARG 131 Ca 0.11 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2oel h ARG 131 Cb 0.24 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 2oel h ARG 131 CO -0.01 0.71 -0.16 -0.44 -1.07 0.00 0.00 179.97 179.00 2oel h ASP 132 N 1.11 0.82 0.50 7.04 3.32 -1.10 0.41 116.42 128.53 2oel h ASP 132 Ca 0.37 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 2oel h ASP 132 Cb 0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2oel h ASP 132 CO -0.12 1.03 -0.28 0.03 -1.72 0.00 0.00 179.24 178.18 2oel h ARG 133 N 0.61 0.00 0.00 3.56 3.08 -0.67 -2.76 114.38 118.20 2oel h ARG 133 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2oel h ARG 133 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2oel h ARG 133 CO 0.05 0.28 -1.33 1.55 -1.07 0.00 0.00 179.97 179.46 2oel n VAL 134 N -3.81 0.05 -1.77 2.04 3.14 -0.30 -5.00 118.33 112.68 2oel n VAL 134 Ca -0.01 -0.23 -0.07 0.00 -2.96 0.00 0.00 64.34 61.06 2oel n VAL 134 Cb 0.38 0.44 -0.01 0.00 -1.06 0.00 0.00 33.84 33.58 2oel n VAL 134 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2oel n GLY 135 N 1.38 0.41 2.98 7.55 0.00 0.14 -4.80 105.19 112.86 2oel n GLY 135 Ca 0.01 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 2oel n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oel s VAL 136 N -2.32 1.88 -0.03 1.61 1.01 -0.86 -5.03 120.40 116.66 2oel s VAL 136 Ca 0.00 -1.69 0.12 0.00 0.00 0.00 0.00 61.98 60.41 2oel s VAL 136 Cb 0.00 -2.19 -0.20 0.00 0.00 0.00 0.00 36.38 33.99 2oel s VAL 136 CO 0.00 -0.28 0.81 -0.74 0.00 0.00 0.00 175.10 174.89 2oel h HIS 137 N 7.81 0.00 0.00 5.22 2.76 -1.95 -3.43 115.15 125.56 2oel h HIS 137 Ca -0.14 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.02 2oel h HIS 137 Cb 1.04 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 30.00 2oel h HIS 137 CO 0.52 0.92 -0.42 0.09 -1.30 0.00 0.00 177.93 177.74 2oel n ASN 138 N -3.08 1.29 -4.71 3.26 5.03 -1.26 -5.07 115.26 110.72 2oel n ASN 138 Ca -0.12 0.19 -0.33 0.00 0.87 0.00 0.00 54.58 55.19 2oel n ASN 138 Cb 0.99 -0.44 0.12 0.00 -1.02 0.00 0.00 39.78 39.43 2oel n ASN 138 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2oel s ARG 139 N -2.26 1.77 0.75 3.52 1.70 -1.26 -4.79 118.95 118.38 2oel s ARG 139 Ca -0.09 1.62 -0.14 0.00 -0.47 0.00 0.00 55.73 56.65 2oel s ARG 139 Cb 0.02 -1.81 0.05 0.00 -0.57 0.00 0.00 34.95 32.64 2oel s ARG 139 CO 0.13 -2.08 1.16 -1.25 -1.08 0.00 0.00 175.30 172.17 2oel s PRO 140 N -4.28 2.15 0.69 3.89 0.04 -1.18 -4.94 135.00 131.37 2oel s PRO 140 Ca 0.70 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 63.23 2oel s PRO 140 Cb -0.25 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.49 2oel s PRO 140 CO 0.51 -1.79 1.00 -0.51 0.04 0.00 0.00 177.00 176.26 2oel s LEU 141 N -5.41 2.85 -0.06 -3.56 1.43 -0.80 -4.88 118.68 108.26 2oel s LEU 141 Ca 0.69 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 2oel s LEU 141 Cb -0.24 -3.14 0.02 0.00 0.03 0.00 0.00 46.19 42.86 2oel s LEU 141 CO 0.48 -1.55 -0.08 -0.22 0.23 0.00 0.00 176.35 175.21 2oel s LEU 142 N -5.22 1.45 0.12 1.79 2.96 -1.26 -0.14 118.68 118.38 2oel s LEU 142 Ca 0.60 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 2oel s LEU 142 Cb -0.11 -0.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 2oel s LEU 142 CO 0.45 -0.02 -0.09 0.00 -1.32 0.00 0.00 176.35 175.36 2oel s MET 143 N 0.84 0.93 0.27 1.98 0.23 -0.30 0.10 119.30 123.35 2oel s MET 143 Ca -0.12 -1.33 0.02 0.00 -1.03 0.00 0.00 55.69 53.23 2oel s MET 143 Cb -0.15 -0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 32.64 2oel s MET 143 CO 0.01 0.05 0.24 -1.54 -2.03 0.00 0.00 175.02 171.75 2oel s SER 144 N -2.90 0.87 0.03 -1.18 1.04 -0.36 -0.32 113.70 110.88 2oel s SER 144 Ca 0.12 -1.54 0.05 0.00 0.48 0.00 0.00 55.95 55.06 2oel s SER 144 Cb 0.02 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 2oel s SER 144 CO -0.01 -0.99 -0.15 -0.63 0.98 0.00 0.00 173.24 172.44 2oel s ILE 145 N -3.75 1.17 0.70 -1.02 1.01 -0.80 -4.25 121.20 114.25 2oel s ILE 145 Ca 0.38 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.91 2oel s ILE 145 Cb 0.04 -1.04 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2oel s ILE 145 CO 0.19 0.08 1.24 0.49 0.00 0.00 0.00 174.94 176.94 2oel n PHE 146 N 2.03 1.65 -4.69 3.97 3.72 -1.26 -4.31 117.46 118.57 2oel n PHE 146 Ca -0.17 0.42 -0.33 0.00 -0.05 0.00 0.00 57.45 57.31 2oel n PHE 146 Cb 0.55 -2.21 -0.13 0.00 -0.94 0.00 0.00 39.48 36.75 2oel n PHE 146 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2oel s LYS 147 N -3.55 3.04 -0.74 -1.08 2.47 -1.26 -4.70 119.74 113.91 2oel s LYS 147 Ca 0.80 -0.61 -0.13 0.00 -1.56 0.00 0.00 55.97 54.46 2oel s LYS 147 Cb -0.36 -2.61 0.02 0.00 -1.46 0.00 0.00 37.83 33.42 2oel s LYS 147 CO 0.44 0.45 0.46 0.41 0.16 0.00 0.00 175.35 177.27 2oel n GLY 148 N 2.84 -0.78 0.05 5.54 0.00 -1.26 -4.89 105.19 106.70 2oel n GLY 148 Ca -0.18 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2oel n GLY 148 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2oel n MET 149 N -3.02 0.50 -1.67 1.61 1.56 -1.26 -4.81 117.12 110.03 2oel n MET 149 Ca -0.16 -0.02 -0.43 0.00 -0.27 0.00 0.00 57.70 56.81 2oel n MET 149 Cb 0.46 -1.64 -0.03 0.00 2.15 0.00 0.00 33.22 34.15 2oel n MET 149 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 2oel n ILE 150 N -2.27 0.68 -0.30 1.12 5.41 -1.26 -0.82 119.36 121.91 2oel n ILE 150 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.62 2oel n ILE 150 Cb 0.51 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 2oel n ILE 150 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2oel n GLY 151 N 4.47 0.80 3.97 7.39 0.00 -1.26 -5.06 105.19 115.50 2oel n GLY 151 Ca 0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 2oel n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oel s ARG 152 N -0.61 2.92 0.52 1.61 1.81 -0.00 -5.11 118.95 120.09 2oel s ARG 152 Ca 0.00 -0.66 0.08 0.00 -1.72 0.00 0.00 55.73 53.43 2oel s ARG 152 Cb 0.00 -2.58 0.05 0.00 -0.45 0.00 0.00 34.95 31.97 2oel s ARG 152 CO 0.00 -0.35 0.57 0.16 -0.68 0.00 0.00 175.30 175.01 2oel s ASP 153 N -4.27 4.98 0.51 0.23 1.47 -1.26 -4.57 116.67 113.76 2oel s ASP 153 Ca 0.51 -0.93 0.20 0.00 1.18 0.00 0.00 52.55 53.50 2oel s ASP 153 Cb -0.10 0.12 1.32 0.00 -0.34 0.00 0.00 42.92 43.91 2oel s ASP 153 CO 0.37 -1.10 2.11 -0.07 0.68 0.00 0.00 175.17 177.16 2oel h LEU 154 N 0.55 0.00 -0.55 2.11 3.38 -2.00 -0.84 115.31 117.96 2oel h LEU 154 Ca -0.35 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.50 2oel h LEU 154 Cb 1.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.02 2oel h LEU 154 CO 0.49 0.07 -0.11 0.00 0.09 0.00 0.00 178.44 178.98 2oel h ALA 155 N 1.93 0.76 -0.24 1.53 0.00 -1.95 -1.20 119.26 120.08 2oel h ALA 155 Ca -0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.43 2oel h ALA 155 Cb 0.14 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2oel h ALA 155 CO 0.01 0.68 -0.34 -0.92 0.00 0.00 0.00 179.25 178.68 2oel h TYR 156 N 0.92 0.81 0.37 0.00 3.20 -1.73 -2.32 116.97 118.23 2oel h TYR 156 Ca 0.14 -0.27 -0.00 0.00 3.14 0.00 0.00 58.73 61.74 2oel h TYR 156 Cb 0.69 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 2oel h TYR 156 CO 0.05 1.02 -0.34 1.25 -1.64 0.00 0.00 178.16 178.49 2oel h LEU 157 N 0.37 -0.92 -1.31 2.82 6.46 -0.99 0.67 115.31 122.40 2oel h LEU 157 Ca 0.03 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.88 2oel h LEU 157 Cb 0.92 0.30 -0.04 0.00 -0.73 0.00 0.00 40.66 41.12 2oel h LEU 157 CO 0.08 -0.49 0.47 0.71 -0.62 0.00 0.00 178.44 178.59 2oel h THR 158 N -0.73 1.16 -0.13 1.05 1.35 -1.28 0.10 112.91 114.43 2oel h THR 158 Ca -0.03 -0.32 -0.01 0.00 -0.55 0.00 0.00 66.41 65.50 2oel h THR 158 Cb 0.65 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.21 2oel h THR 158 CO -0.04 0.17 0.04 -1.28 -0.25 0.00 0.00 175.52 174.16 2oel h SER 159 N 0.94 0.20 0.34 5.36 0.87 -1.02 -1.45 113.55 118.78 2oel h SER 159 Ca 0.27 -0.21 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 2oel h SER 159 Cb -0.07 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 2oel h SER 159 CO -0.06 0.36 -0.45 -0.33 -0.53 0.00 0.00 176.83 175.82 2oel h GLU 160 N 0.03 0.14 -0.20 2.24 4.39 -0.50 -2.55 114.58 118.12 2oel h GLU 160 Ca 0.04 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2oel h GLU 160 Cb 0.23 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2oel h GLU 160 CO -0.00 0.56 -0.03 1.25 -1.16 0.00 0.00 179.01 179.63 2oel h LEU 161 N 0.12 0.37 -1.08 1.33 5.85 -0.64 -2.71 115.31 118.54 2oel h LEU 161 Ca 0.01 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 2oel h LEU 161 Cb 0.84 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 2oel h LEU 161 CO 0.06 0.62 0.18 0.11 -0.34 0.00 0.00 178.44 179.08 2oel h LYS 162 N 0.11 0.83 -0.38 1.25 1.57 -1.18 -1.41 116.57 117.37 2oel h LYS 162 Ca 0.05 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2oel h LYS 162 Cb 0.45 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 2oel h LYS 162 CO 0.02 0.72 0.22 0.87 -0.57 0.00 0.00 179.45 180.70 2oel h LYS 163 N 0.81 0.53 -0.53 3.15 1.57 -1.37 0.21 116.57 120.93 2oel h LYS 163 Ca 0.19 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 2oel h LYS 163 Cb 0.23 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2oel h LYS 163 CO -0.01 0.41 0.06 1.96 -0.57 0.00 0.00 179.45 181.30 2oel h GLN 164 N 0.50 0.90 -0.30 3.15 4.20 -1.17 -2.02 115.11 120.37 2oel h GLN 164 Ca 0.14 -0.26 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 2oel h GLN 164 Cb 0.03 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2oel h GLN 164 CO -0.02 0.89 -0.23 0.00 -0.67 0.00 0.00 178.83 178.80 2oel h ALA 165 N 0.97 1.05 0.00 3.87 0.00 -1.01 -1.54 119.26 122.60 2oel h ALA 165 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2oel h ALA 165 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2oel h ALA 165 CO 0.02 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.77 2oel h LEU 166 N 0.50 0.00 -0.08 0.00 3.38 -0.36 -1.18 115.31 117.57 2oel h LEU 166 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2oel h LEU 166 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2oel h LEU 166 CO 0.05 0.00 -0.08 0.61 0.09 0.00 0.00 178.44 179.11 2oel n GLY 167 N 0.03 -1.21 1.07 0.83 0.00 -0.59 -4.92 105.19 100.41 2oel n GLY 167 Ca 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2oel n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oel n GLY 168 N 1.35 0.70 3.78 -0.02 0.00 -0.45 -2.15 105.19 108.41 2oel n GLY 168 Ca 0.12 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 2oel n GLY 168 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2oel s VAL 169 N -2.00 3.65 0.08 1.61 -7.23 -1.18 -4.93 120.40 110.40 2oel s VAL 169 Ca 0.00 1.19 0.07 0.00 -1.81 0.00 0.00 61.98 61.44 2oel s VAL 169 Cb 0.00 -3.58 -0.22 0.00 0.56 0.00 0.00 36.38 33.14 2oel s VAL 169 CO 0.00 -0.06 1.12 0.44 -0.31 0.00 0.00 175.10 176.29 2oel h ASP 170 N 2.17 0.03 -4.31 4.85 3.32 -0.67 -3.43 116.42 118.39 2oel h ASP 170 Ca -0.49 -0.04 -0.14 0.00 0.02 0.00 0.00 57.03 56.38 2oel h ASP 170 Cb 1.22 -0.01 -0.23 0.00 0.22 0.00 0.00 39.33 40.53 2oel h ASP 170 CO 0.61 1.03 -0.36 -0.22 -1.72 0.00 0.00 179.24 178.58 2oel s LEU 171 N -6.60 0.95 0.45 1.55 0.20 -0.98 -0.91 118.68 113.34 2oel s LEU 171 Ca -0.01 0.35 0.03 0.00 0.69 0.00 0.00 54.13 55.19 2oel s LEU 171 Cb 0.09 1.04 -0.02 0.00 -0.43 0.00 0.00 46.19 46.88 2oel s LEU 171 CO 0.82 -0.23 0.08 -0.69 -0.29 0.00 0.00 176.35 176.04 2oel s VAL 172 N -0.45 0.86 0.23 1.68 1.01 -0.22 -1.22 120.40 122.29 2oel s VAL 172 Ca -0.06 -2.00 0.06 0.00 0.00 0.00 0.00 61.98 59.98 2oel s VAL 172 Cb -0.04 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 2oel s VAL 172 CO 0.02 0.00 0.23 -1.81 0.00 0.00 0.00 175.10 173.54 2oel s ASP 174 N -3.72 5.76 0.41 3.32 1.01 -0.66 -0.45 116.67 122.35 2oel s ASP 174 Ca 0.17 -0.14 -0.25 0.00 0.71 0.00 0.00 52.55 53.05 2oel s ASP 174 Cb 0.02 -1.55 -0.08 0.00 1.01 0.00 0.00 42.92 42.32 2oel s ASP 174 CO 0.10 -0.03 1.16 -0.62 0.21 0.00 0.00 175.17 175.99 2oel s ASP 175 N -3.76 6.47 0.34 0.27 -1.08 -1.26 -4.83 116.67 112.82 2oel s ASP 175 Ca 0.33 2.31 0.25 0.00 -0.52 0.00 0.00 52.55 54.92 2oel s ASP 175 Cb -0.09 -2.61 1.21 0.00 -1.46 0.00 0.00 42.92 39.98 2oel s ASP 175 CO 0.26 -0.71 1.77 1.05 0.52 0.00 0.00 175.17 178.06 2oel h GLU 176 N 2.50 0.00 -0.64 4.34 9.09 -2.01 -1.35 114.58 126.51 2oel h GLU 176 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 2oel h GLU 176 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 2oel h GLU 176 CO 0.62 0.00 0.00 0.44 0.05 0.00 0.00 179.01 180.12 2oel n ILE 177 N -2.40 1.50 -3.06 -1.06 -5.35 -1.26 -4.84 119.36 102.89 2oel n ILE 177 Ca 0.00 -1.01 -0.43 0.00 -0.27 0.00 0.00 62.75 61.04 2oel n ILE 177 Cb 0.15 0.12 -0.06 0.00 -1.74 0.00 0.00 39.64 38.11 2oel n ILE 177 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2oel s LEU 178 N -1.58 4.51 0.22 7.28 1.98 -0.51 -5.01 118.68 125.57 2oel s LEU 178 Ca 0.45 -0.44 0.06 0.00 -2.89 0.00 0.00 54.13 51.31 2oel s LEU 178 Cb 0.28 -2.71 -0.04 0.00 0.66 0.00 0.00 46.19 44.38 2oel s LEU 178 CO 0.23 -0.89 0.17 -0.36 -1.89 0.00 0.00 176.35 173.61 2oel s PHE 179 N 3.01 3.12 0.42 5.38 0.08 -1.26 -4.86 117.98 123.87 2oel s PHE 179 Ca 0.23 -0.08 -0.26 0.00 0.12 0.00 0.00 56.93 56.94 2oel s PHE 179 Cb -0.15 -1.44 -0.09 0.00 -0.57 0.00 0.00 43.02 40.77 2oel s PHE 179 CO 0.18 0.52 1.47 -0.51 -0.10 0.00 0.00 175.22 176.78 2oel s ASP 180 N -3.54 6.04 0.29 1.36 1.01 -1.26 -4.94 116.67 115.63 2oel s ASP 180 Ca 0.32 3.01 -0.08 0.00 0.71 0.00 0.00 52.55 56.52 2oel s ASP 180 Cb -0.09 -2.66 -0.00 0.00 1.01 0.00 0.00 42.92 41.18 2oel s ASP 180 CO 0.24 -1.07 0.46 -0.94 0.21 0.00 0.00 175.17 174.07 2oel s SER 181 N -0.32 0.35 0.25 0.27 1.04 -1.13 -5.00 113.70 109.16 2oel s SER 181 Ca 0.58 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.75 2oel s SER 181 Cb -0.46 0.61 0.28 0.00 0.10 0.00 0.00 66.02 66.56 2oel s SER 181 CO 0.60 -1.20 1.77 -0.08 0.98 0.00 0.00 173.24 175.31 2oel h GLU 182 N 2.22 0.93 -0.25 4.02 4.81 -2.00 -2.27 114.58 122.04 2oel h GLU 182 Ca -0.28 -0.22 -0.17 0.00 -0.13 0.00 0.00 59.36 58.56 2oel h GLU 182 Cb 1.25 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.50 2oel h GLU 182 CO 0.39 0.85 -0.53 -0.07 -0.73 0.00 0.00 179.01 178.92 2oel h LEU 183 N 0.88 0.81 -6.42 1.64 3.38 -1.96 -3.37 115.31 110.26 2oel h LEU 183 Ca 0.18 -0.43 -0.60 0.00 0.09 0.00 0.00 57.88 57.13 2oel h LEU 183 Cb 0.37 -0.23 -0.41 0.00 0.09 0.00 0.00 40.66 40.48 2oel h LEU 183 CO 0.01 1.18 -0.72 0.18 0.09 0.00 0.00 178.44 179.18 2oel n LEU 184 N -3.99 2.45 -4.77 1.67 4.77 -1.06 -4.06 117.00 112.01 2oel n LEU 184 Ca -0.04 -5.13 -0.39 0.00 -0.03 0.00 0.00 56.01 50.43 2oel n LEU 184 Cb 0.61 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 2oel n LEU 184 CO 0.49 1.96 0.91 -2.84 -1.33 0.00 0.00 177.39 176.57 2oel s PRO 185 N -1.69 3.92 0.13 3.23 0.02 -0.88 -2.85 135.00 136.89 2oel s PRO 185 Ca 0.34 2.03 -0.32 0.00 0.02 0.00 0.00 61.00 63.07 2oel s PRO 185 Cb 0.09 -2.67 -0.09 0.00 0.02 0.00 0.00 34.50 31.85 2oel s PRO 185 CO -0.09 -0.49 1.56 0.35 -0.33 0.00 0.00 177.00 178.00 2oel h PHE 186 N 2.53 -1.52 -0.50 6.54 3.57 -1.96 -0.39 116.94 125.20 2oel h PHE 186 Ca -0.49 0.07 0.03 0.00 3.53 0.00 0.00 57.97 61.10 2oel h PHE 186 Cb 1.25 0.70 -0.03 0.00 2.79 0.00 0.00 35.95 40.66 2oel h PHE 186 CO 0.53 -0.51 0.33 0.93 -2.23 0.00 0.00 178.31 177.37 2oel h GLU 187 N -0.48 0.55 -0.02 1.11 5.08 -1.98 -2.40 114.58 116.44 2oel h GLU 187 Ca 0.07 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.20 2oel h GLU 187 Cb 0.64 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2oel h GLU 187 CO -0.50 0.36 -0.85 0.87 -1.00 0.00 0.00 179.01 177.90 2oel h LYS 188 N 0.57 0.29 -0.91 2.33 1.57 -1.74 -2.02 116.57 116.66 2oel h LYS 188 Ca 0.20 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2oel h LYS 188 Cb 0.10 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2oel h LYS 188 CO -0.05 0.98 0.50 0.00 -0.57 0.00 0.00 179.45 180.31 2oel h ARG 189 N 0.17 1.26 0.35 3.15 3.08 -0.61 -0.14 114.38 121.65 2oel h ARG 189 Ca -0.05 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2oel h ARG 189 Cb 1.46 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2oel h ARG 189 CO 0.14 0.92 -0.17 0.82 -1.07 0.00 0.00 179.97 180.60 2oel h ILE 190 N 1.27 0.60 -0.29 2.04 2.04 -1.39 -0.69 117.51 121.10 2oel h ILE 190 Ca 0.32 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2oel h ILE 190 Cb 0.02 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2oel h ILE 190 CO -0.05 0.10 0.08 0.71 0.00 0.00 0.00 178.15 178.99 2oel h THR 191 N -0.81 1.21 -0.25 -0.27 1.35 -1.28 -0.13 112.91 112.72 2oel h THR 191 Ca -0.05 -0.67 -0.14 0.00 -0.55 0.00 0.00 66.41 65.00 2oel h THR 191 Cb 0.53 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.03 2oel h THR 191 CO 0.08 0.22 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.83 2oel h GLU 192 N 0.31 0.59 -0.69 4.72 5.08 -1.13 -2.00 114.58 121.46 2oel h GLU 192 Ca 0.09 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2oel h GLU 192 Cb 0.26 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2oel h GLU 192 CO -0.00 0.90 0.15 0.78 -1.00 0.00 0.00 179.01 179.84 2oel h GLY 193 N 1.04 1.18 0.81 -3.84 0.00 -0.98 -0.90 103.07 100.38 2oel h GLY 193 Ca 0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 47.33 46.61 2oel h GLY 193 CO 0.08 0.69 0.03 1.70 0.00 0.00 0.00 176.54 179.04 2oel h LYS 194 N 1.04 0.24 -0.69 4.80 3.64 -0.81 -0.64 116.57 124.15 2oel h LYS 194 Ca 0.21 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.54 2oel h LYS 194 Cb 0.38 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.14 2oel h LYS 194 CO 0.00 0.41 0.46 0.00 -2.27 0.00 0.00 179.45 178.06 2oel h ALA 195 N 0.81 0.88 -0.53 5.00 0.00 -1.24 0.31 119.26 124.49 2oel h ALA 195 Ca 0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2oel h ALA 195 Cb 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2oel h ALA 195 CO 0.00 0.30 0.22 0.00 0.00 0.00 0.00 179.25 179.77 2oel h ALA 196 N 1.26 0.69 0.00 0.00 0.00 -1.03 -2.38 119.26 117.80 2oel h ALA 196 Ca 0.26 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 2oel h ALA 196 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2oel h ALA 196 CO -0.06 0.30 -0.39 -0.07 0.00 0.00 0.00 179.25 179.03 2oel h LEU 197 N 0.72 0.00 -1.20 0.00 3.38 -0.70 -2.02 115.31 115.49 2oel h LEU 197 Ca 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 2oel h LEU 197 Cb 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2oel h LEU 197 CO -0.02 0.39 -0.17 1.56 0.09 0.00 0.00 178.44 180.30 2oel h GLN 198 N 0.00 0.00 -0.07 1.13 4.20 -0.54 -1.87 115.11 117.96 2oel h GLN 198 Ca -0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 2oel h GLN 198 Cb 0.75 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.54 2oel h GLN 198 CO 0.05 0.17 -0.68 0.93 -0.67 0.00 0.00 178.83 178.64 2oel h GLU 199 N 0.00 0.58 0.00 1.46 5.08 -0.88 -2.96 114.58 117.87 2oel h GLU 199 Ca -0.00 -0.53 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 2oel h GLU 199 Cb 0.69 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 2oel h GLU 199 CO 0.02 1.15 -0.17 0.28 -1.00 0.00 0.00 179.01 179.29 2oel h VAL 200 N 0.20 0.67 -0.04 3.13 2.07 -1.23 -1.07 116.25 119.97 2oel h VAL 200 Ca -0.06 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 2oel h VAL 200 Cb 1.34 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2oel h VAL 200 CO 0.14 0.17 -0.30 0.22 0.02 0.00 0.00 177.57 177.82 2oel h TYR 201 N 0.00 0.07 0.14 1.57 3.20 -1.18 0.30 116.97 121.06 2oel h TYR 201 Ca -0.00 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 2oel h TYR 201 Cb 0.45 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.71 2oel h TYR 201 CO 0.00 0.36 -0.07 0.93 -1.64 0.00 0.00 178.16 177.74 2oel h GLU 202 N 0.06 -0.18 -0.93 1.82 4.39 -1.12 -3.20 114.58 115.42 2oel h GLU 202 Ca 0.01 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.86 2oel h GLU 202 Cb 0.56 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.16 2oel h GLU 202 CO 0.04 0.01 0.54 1.96 -1.16 0.00 0.00 179.01 180.40 2oel h GLN 203 N -1.03 0.78 -3.65 2.33 4.20 -1.37 -3.39 115.11 112.98 2oel h GLN 203 Ca -0.02 -0.05 -0.39 0.00 0.06 0.00 0.00 58.65 58.25 2oel h GLN 203 Cb 0.27 -0.18 -0.37 0.00 0.30 0.00 0.00 27.48 27.51 2oel h GLN 203 CO 0.03 0.51 -0.76 0.95 -0.67 0.00 0.00 178.83 178.90 2oel s THR 204 N -5.95 0.22 0.36 -0.54 -4.23 0.10 -5.00 115.64 100.60 2oel s THR 204 Ca -0.12 0.15 0.12 0.00 -1.18 0.00 0.00 61.69 60.66 2oel s THR 204 Cb 0.22 -0.37 0.12 0.00 1.34 0.00 0.00 72.50 73.81 2oel s THR 204 CO 0.79 0.20 1.27 1.23 -0.54 0.00 0.00 174.62 177.58 2oel h GLY 205 N 7.91 0.00 -4.94 3.99 0.00 -1.76 -3.29 103.07 104.98 2oel h GLY 205 Ca -0.27 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.50 2oel h GLY 205 CO 0.32 0.00 0.93 1.17 0.00 0.00 0.00 176.54 178.96 2oel n LYS 206 N -2.27 2.44 -3.83 4.80 3.00 -1.26 -4.92 118.16 116.11 2oel n LYS 206 Ca -0.01 0.88 -0.36 0.00 -0.00 0.00 0.00 58.31 58.82 2oel n LYS 206 Cb 0.56 -2.70 -0.13 0.00 0.00 0.00 0.00 35.03 32.76 2oel n LYS 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 2oel s ARG 207 N 1.45 3.56 -0.09 1.64 3.00 -1.26 -4.08 118.95 123.17 2oel s ARG 207 Ca 0.79 -0.53 0.01 0.00 -1.00 0.00 0.00 55.73 55.00 2oel s ARG 207 Cb -0.60 -3.20 -0.02 0.00 0.00 0.00 0.00 34.95 31.12 2oel s ARG 207 CO 0.37 -0.18 -0.10 0.99 0.00 0.00 0.00 175.30 176.38 2oel s THR 208 N 1.52 3.38 0.20 4.11 2.01 -1.26 -4.85 115.64 120.75 2oel s THR 208 Ca 0.06 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 2oel s THR 208 Cb -0.15 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.93 2oel s THR 208 CO 0.01 0.56 0.41 -0.76 -0.69 0.00 0.00 174.62 174.15 2oel s LEU 209 N -0.35 4.21 -0.18 4.42 1.43 -0.09 -4.96 118.68 123.16 2oel s LEU 209 Ca 0.04 0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2oel s LEU 209 Cb -0.12 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.87 2oel s LEU 209 CO 0.02 -0.04 -0.19 -0.47 0.23 0.00 0.00 176.35 175.90 2oel s TYR 210 N -1.85 2.80 -0.47 0.29 5.04 -1.26 -1.05 117.35 120.86 2oel s TYR 210 Ca 0.40 -1.68 -0.18 0.00 -2.44 0.00 0.00 57.07 53.17 2oel s TYR 210 Cb -0.11 -1.92 0.05 0.00 0.35 0.00 0.00 41.96 40.33 2oel s TYR 210 CO 0.28 -0.81 0.51 0.00 -1.34 0.00 0.00 175.55 174.19 2oel s ALA 211 N 1.28 3.43 0.01 3.97 0.00 0.40 -2.52 121.76 128.34 2oel s ALA 211 Ca 0.04 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.10 2oel s ALA 211 Cb -0.13 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2oel s ALA 211 CO -0.13 -1.80 0.50 0.54 0.00 0.00 0.00 175.76 174.87 2oel s VAL 212 N 2.26 4.94 0.04 0.00 0.11 -0.30 -1.65 120.40 125.80 2oel s VAL 212 Ca 0.12 1.04 -0.30 0.00 -2.93 0.00 0.00 61.98 59.91 2oel s VAL 212 Cb -0.19 -3.82 -0.07 0.00 -1.53 0.00 0.00 36.38 30.77 2oel s VAL 212 CO 0.12 0.51 1.53 0.21 -3.33 0.00 0.00 175.10 174.14 2oel s ASN 213 N -0.70 6.72 -0.46 3.54 2.47 -1.26 -0.47 114.94 124.77 2oel s ASN 213 Ca 0.27 2.32 -0.14 0.00 0.42 0.00 0.00 52.86 55.73 2oel s ASN 213 Cb -0.18 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.14 2oel s ASN 213 CO 0.15 -0.81 0.35 -0.22 -3.72 0.00 0.00 177.10 172.86 2oel s LEU 214 N 2.48 5.48 0.00 3.21 2.96 0.14 -4.89 118.68 128.07 2oel s LEU 214 Ca 0.69 -1.38 0.01 0.00 -0.22 0.00 0.00 54.13 53.22 2oel s LEU 214 Cb -0.36 -2.12 -0.00 0.00 0.50 0.00 0.00 46.19 44.20 2oel s LEU 214 CO 0.30 -0.61 0.02 0.35 -1.32 0.00 0.00 176.35 175.08 2oel n THR 215 N 5.12 0.00 0.00 3.68 -2.24 -1.26 -4.60 114.28 114.97 2oel n THR 215 Ca -0.12 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2oel n THR 215 Cb 0.43 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2oel n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2oel n GLY 216 N 2.27 -2.36 3.77 3.38 0.00 -1.26 -4.84 105.19 106.13 2oel n GLY 216 Ca -0.02 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 2oel n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oel s LYS 217 N -0.26 3.96 0.21 1.61 1.02 -1.26 -4.92 119.74 120.10 2oel s LYS 217 Ca 0.00 1.93 -0.16 0.00 0.02 0.00 0.00 55.97 57.76 2oel s LYS 217 Cb 0.00 -2.65 0.21 0.00 -0.52 0.00 0.00 37.83 34.87 2oel s LYS 217 CO 0.00 -0.43 1.60 1.15 -0.92 0.00 0.00 175.35 176.75 2oel h THR 218 N 2.27 0.23 0.00 2.17 2.02 -2.01 -1.41 112.91 116.19 2oel h THR 218 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 2oel h THR 218 Cb 1.24 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.88 2oel h THR 218 CO 0.62 0.00 0.00 0.49 0.37 0.00 0.00 175.52 177.00 2oel n PHE 219 N -5.46 0.00 0.38 3.16 3.72 -1.26 -2.05 117.46 115.96 2oel n PHE 219 Ca 0.07 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.51 2oel n PHE 219 Cb 0.36 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 2oel n PHE 219 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2oel n ALA 220 N -0.71 2.95 -0.13 4.37 0.00 -0.54 -4.71 120.51 121.74 2oel n ALA 220 Ca 0.07 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 2oel n ALA 220 Cb 0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 19.45 19.18 2oel n ALA 220 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2oel h LEU 221 N 0.31 0.47 -0.21 0.00 3.38 -1.28 -2.72 115.31 115.27 2oel h LEU 221 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2oel h LEU 221 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2oel h LEU 221 CO 0.00 0.40 0.14 0.11 0.09 0.00 0.00 178.44 179.19 2oel h LYS 222 N 0.50 0.28 -0.45 1.13 1.57 -1.84 0.32 116.57 118.09 2oel h LYS 222 Ca 0.14 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2oel h LYS 222 Cb 0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 2oel h LYS 222 CO -0.02 0.19 0.23 -0.44 -0.57 0.00 0.00 179.45 178.83 2oel h ASP 223 N 0.29 0.33 -0.46 0.86 3.32 -1.87 0.10 116.42 119.00 2oel h ASP 223 Ca 0.08 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2oel h ASP 223 Cb -0.03 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 2oel h ASP 223 CO -0.02 0.24 0.14 0.11 -1.72 0.00 0.00 179.24 177.99 2oel h LYS 224 N 0.46 0.71 -0.48 3.56 1.57 -1.27 -1.47 116.57 119.65 2oel h LYS 224 Ca 0.19 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 2oel h LYS 224 Cb 0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 2oel h LYS 224 CO -0.13 0.69 0.09 0.00 -0.57 0.00 0.00 179.45 179.52 2oel h ALA 225 N 0.99 1.26 -0.43 3.86 0.00 -0.58 0.14 119.26 124.50 2oel h ALA 225 Ca 0.15 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2oel h ALA 225 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2oel h ALA 225 CO -0.00 0.51 -0.17 -0.22 0.00 0.00 0.00 179.25 179.37 2oel h LYS 226 N 0.71 0.88 -0.60 0.00 3.64 -0.78 -1.46 116.57 118.95 2oel h LYS 226 Ca 0.15 -0.37 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 2oel h LYS 226 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2oel h LYS 226 CO 0.00 1.01 0.24 0.00 -2.27 0.00 0.00 179.45 178.44 2oel h ARG 227 N 0.71 0.90 -0.76 1.90 2.47 -0.74 -1.16 114.38 117.69 2oel h ARG 227 Ca 0.10 -0.16 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2oel h ARG 227 Cb 0.73 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.85 2oel h ARG 227 CO 0.06 0.76 0.47 0.00 0.56 0.00 0.00 179.97 181.82 2oel h ALA 228 N 1.09 1.00 -0.49 0.04 0.00 -0.49 0.74 119.26 121.15 2oel h ALA 228 Ca 0.20 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2oel h ALA 228 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2oel h ALA 228 CO -0.02 0.25 0.21 0.00 0.00 0.00 0.00 179.25 179.70 2oel h ALA 229 N 1.33 0.64 -0.82 0.00 0.00 -0.86 0.83 119.26 120.38 2oel h ALA 229 Ca 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2oel h ALA 229 Cb 0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2oel h ALA 229 CO -0.13 0.23 0.48 0.93 0.00 0.00 0.00 179.25 180.76 2oel h GLU 230 N 0.65 1.12 0.00 0.00 5.08 -0.42 -1.40 114.58 119.62 2oel h GLU 230 Ca 0.17 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2oel h GLU 230 Cb 0.17 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2oel h GLU 230 CO -0.02 0.80 0.00 1.28 -1.00 0.00 0.00 179.01 180.07 2oel n LEU 231 N -4.36 0.00 -0.18 1.33 4.77 0.18 -4.92 117.00 113.82 2oel n LEU 231 Ca 0.09 0.12 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2oel n LEU 231 Cb 0.08 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 2oel n LEU 231 CO 0.38 -0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2oel n GLY 232 N 1.12 0.56 3.76 -0.72 0.00 -0.53 -4.77 105.19 104.62 2oel n GLY 232 Ca 0.20 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 45.02 2oel n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oel s ALA 233 N -2.34 2.94 -0.15 4.61 0.00 0.18 -4.96 121.76 122.04 2oel s ALA 233 Ca 0.00 1.24 -0.28 0.00 0.00 0.00 0.00 51.96 52.93 2oel s ALA 233 Cb -0.00 -3.52 -0.25 0.00 0.00 0.00 0.00 23.12 19.35 2oel s ALA 233 CO 0.00 -1.13 0.67 -0.44 0.00 0.00 0.00 175.76 174.86 2oel h ASP 234 N 1.80 0.01 -4.70 0.00 3.32 -1.91 -3.46 116.42 111.48 2oel h ASP 234 Ca -0.50 -0.91 -0.15 0.00 0.02 0.00 0.00 57.03 55.49 2oel h ASP 234 Cb 1.28 -0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.61 2oel h ASP 234 CO 0.59 1.09 -0.45 -0.69 -1.72 0.00 0.00 179.24 178.06 2oel s VAL 235 N -2.25 0.06 -0.27 -1.35 1.01 -1.05 -4.08 120.40 112.47 2oel s VAL 235 Ca -0.21 -0.49 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2oel s VAL 235 Cb -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2oel s VAL 235 CO 0.67 -0.27 0.08 -0.76 0.00 0.00 0.00 175.10 174.82 2oel s LEU 236 N -1.02 3.62 0.02 3.92 1.43 -0.23 -1.15 118.68 125.26 2oel s LEU 236 Ca -0.11 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 2oel s LEU 236 Cb -0.06 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2oel s LEU 236 CO 0.02 -0.10 0.80 -0.22 0.23 0.00 0.00 176.35 177.08 2oel s LEU 237 N 1.57 4.41 -0.05 1.79 2.96 0.38 -0.37 118.68 129.37 2oel s LEU 237 Ca 0.05 1.46 -0.01 0.00 -0.22 0.00 0.00 54.13 55.40 2oel s LEU 237 Cb -0.16 -3.29 0.03 0.00 0.50 0.00 0.00 46.19 43.27 2oel s LEU 237 CO 0.03 -0.07 0.03 0.12 -1.32 0.00 0.00 176.35 175.14 2oel s PHE 238 N 0.32 0.30 -1.54 5.38 5.36 0.17 -0.69 117.98 127.28 2oel s PHE 238 Ca 0.41 0.07 -0.12 0.00 -0.96 0.00 0.00 56.93 56.34 2oel s PHE 238 Cb -0.20 -0.56 -0.02 0.00 -0.34 0.00 0.00 43.02 41.90 2oel s PHE 238 CO 0.23 -0.22 2.56 0.09 -1.46 0.00 0.00 175.22 176.43 2oel n ASN 239 N 5.02 6.14 -0.33 6.13 5.03 -1.26 -1.65 115.26 134.33 2oel n ASN 239 Ca -0.09 -2.72 0.19 0.00 0.87 0.00 0.00 54.58 52.82 2oel n ASN 239 Cb 0.50 -1.61 0.42 0.00 -1.02 0.00 0.00 39.78 38.07 2oel n ASN 239 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 2oel h VAL 240 N 3.54 0.57 0.00 2.41 3.04 -1.89 -1.53 116.25 122.39 2oel h VAL 240 Ca 0.71 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 66.21 2oel h VAL 240 Cb 0.47 -0.02 0.00 0.00 -2.01 0.00 0.00 31.29 29.74 2oel h VAL 240 CO 1.84 0.10 0.00 -0.26 -1.01 0.00 0.00 177.57 178.24 2oel h PHE 241 N 0.54 0.00 0.00 3.17 0.04 -1.80 -1.37 116.94 117.53 2oel h PHE 241 Ca 0.61 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.38 2oel h PHE 241 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 2oel h PHE 241 CO -0.00 0.00 -0.40 0.00 -0.60 0.00 0.00 178.31 177.31 2oel n ALA 242 N -1.89 3.00 -2.00 2.45 0.00 -0.58 -4.64 120.51 116.85 2oel n ALA 242 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2oel n ALA 242 Cb 0.23 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.44 2oel n ALA 242 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2oel n TYR 243 N -1.76 0.00 -3.57 0.00 4.01 -0.58 -5.15 117.16 110.12 2oel n TYR 243 Ca 0.05 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.71 2oel n TYR 243 Cb 0.38 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.37 2oel n TYR 243 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2oel s GLY 244 N 0.00 -0.28 0.37 2.72 0.00 -0.83 -5.03 107.32 104.28 2oel s GLY 244 Ca 0.00 1.82 0.08 0.00 0.00 0.00 0.00 44.72 46.63 2oel s GLY 244 CO 0.00 0.81 1.93 1.41 0.00 0.00 0.00 173.10 177.25 2oel h LEU 245 N 2.30 0.61 -1.63 0.66 3.38 -1.95 -1.55 115.31 117.13 2oel h LEU 245 Ca -0.17 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2oel h LEU 245 Cb 1.18 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 2oel h LEU 245 CO 0.29 0.36 -0.04 -0.78 0.09 0.00 0.00 178.44 178.36 2oel h ASP 246 N 0.68 0.17 -0.36 -0.43 3.58 -1.95 -2.14 116.42 115.96 2oel h ASP 246 Ca 0.36 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.66 2oel h ASP 246 Cb 0.47 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 2oel h ASP 246 CO -0.13 0.24 -0.26 0.58 -2.88 0.00 0.00 179.24 176.79 2oel h VAL 247 N 0.18 1.27 -0.47 2.25 2.07 -1.67 -0.55 116.25 119.33 2oel h VAL 247 Ca 0.04 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.14 2oel h VAL 247 Cb 0.20 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2oel h VAL 247 CO 0.01 0.48 0.24 0.25 0.02 0.00 0.00 177.57 178.56 2oel h LEU 248 N 0.75 0.60 -0.89 2.57 5.85 -1.40 -1.69 115.31 121.10 2oel h LEU 248 Ca 0.09 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 2oel h LEU 248 Cb 0.81 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 2oel h LEU 248 CO 0.07 0.54 0.54 -0.61 -0.34 0.00 0.00 178.44 178.64 2oel h GLN 249 N 0.61 1.21 -0.73 1.25 4.15 -1.13 -0.81 115.11 119.67 2oel h GLN 249 Ca 0.16 -0.11 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2oel h GLN 249 Cb 0.09 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.49 2oel h GLN 249 CO -0.02 0.85 0.37 0.00 -1.93 0.00 0.00 178.83 178.09 2oel h ALA 250 N 1.29 0.94 -0.52 3.38 0.00 -0.71 -0.11 119.26 123.53 2oel h ALA 250 Ca 0.32 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2oel h ALA 250 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2oel h ALA 250 CO -0.06 0.48 0.03 -0.07 0.00 0.00 0.00 179.25 179.62 2oel h LEU 251 N 1.01 0.88 -0.82 0.00 3.38 -0.87 -2.63 115.31 116.26 2oel h LEU 251 Ca 0.25 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2oel h LEU 251 Cb 0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2oel h LEU 251 CO -0.04 0.95 0.31 -0.09 0.09 0.00 0.00 178.44 179.67 2oel h ARG 252 N 0.77 1.18 -0.00 1.13 9.65 -0.71 -3.14 114.38 123.26 2oel h ARG 252 Ca 0.15 -0.22 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2oel h ARG 252 Cb 0.49 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2oel h ARG 252 CO 0.02 0.96 -0.11 0.39 2.80 0.00 0.00 179.97 184.03 2oel n GLU 253 N -4.27 0.02 -2.54 0.20 1.02 -0.09 -4.76 120.64 110.21 2oel n GLU 253 Ca 0.07 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 2oel n GLU 253 Cb 0.19 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 2oel n GLU 253 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2oel s ASP 254 N -2.98 6.52 0.40 1.62 -1.08 -1.01 -4.89 116.67 115.25 2oel s ASP 254 Ca 0.14 0.44 0.28 0.00 -0.52 0.00 0.00 52.55 52.89 2oel s ASP 254 Cb 0.19 -2.55 1.38 0.00 -1.46 0.00 0.00 42.92 40.48 2oel s ASP 254 CO 0.56 -1.36 1.85 -0.33 0.52 0.00 0.00 175.17 176.42 2oel h GLU 255 N 9.64 0.00 -0.00 4.34 4.39 -1.89 -1.28 114.58 129.77 2oel h GLU 255 Ca -0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2oel h GLU 255 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2oel h GLU 255 CO 1.14 0.00 -0.06 0.39 -1.16 0.00 0.00 179.01 179.31 2oel n GLU 256 N -2.51 0.88 0.00 2.33 1.02 -1.26 -4.24 120.64 116.86 2oel n GLU 256 Ca -0.01 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2oel n GLU 256 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2oel n GLU 256 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2oel n ILE 257 N -0.82 0.00 -3.97 -3.67 5.41 -0.49 -4.56 119.36 111.25 2oel n ILE 257 Ca 0.17 0.29 -0.28 0.00 1.00 0.00 0.00 62.75 63.94 2oel n ILE 257 Cb 0.25 -1.27 -0.02 0.00 -0.71 0.00 0.00 39.64 37.89 2oel n ILE 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2oel n ALA 258 N -2.15 -2.10 -2.49 -1.39 0.00 -1.17 -4.74 120.51 106.47 2oel n ALA 258 Ca 0.00 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 52.89 2oel n ALA 258 Cb 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 2oel n ALA 258 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oel s VAL 259 N -3.94 1.46 0.54 0.00 1.01 -1.26 -5.09 120.40 113.12 2oel s VAL 259 Ca 0.08 -0.88 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 2oel s VAL 259 Cb -0.03 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 35.04 2oel s VAL 259 CO 0.90 0.34 0.85 -2.65 0.00 0.00 0.00 175.10 174.54 2oel n PRO 260 N 2.42 0.91 -4.74 2.72 -0.02 -1.26 -4.78 135.00 130.25 2oel n PRO 260 Ca -0.15 0.34 -0.30 0.00 -2.02 0.00 0.00 63.50 61.36 2oel n PRO 260 Cb 0.54 -1.99 -0.17 0.00 -0.02 0.00 0.00 33.50 31.86 2oel n PRO 260 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2oel s ILE 261 N -1.50 1.79 -0.31 4.25 1.01 -1.26 -1.07 121.20 124.12 2oel s ILE 261 Ca 0.70 -0.84 -0.08 0.00 0.00 0.00 0.00 60.65 60.43 2oel s ILE 261 Cb -0.47 -1.59 0.01 0.00 0.01 0.00 0.00 42.46 40.41 2oel s ILE 261 CO 0.52 0.50 0.11 -0.32 0.00 0.00 0.00 174.94 175.75 2oel s MET 262 N 0.73 3.14 -0.12 2.79 -2.45 0.50 -0.96 119.30 122.93 2oel s MET 262 Ca -0.11 -0.84 -0.23 0.00 -1.25 0.00 0.00 55.69 53.26 2oel s MET 262 Cb -0.16 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.43 2oel s MET 262 CO 0.02 -0.46 0.72 0.00 1.05 0.00 0.00 175.02 176.35 2oel s ALA 263 N 1.54 3.42 -0.01 4.11 0.00 -0.37 -0.66 121.76 129.80 2oel s ALA 263 Ca 0.03 0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.93 2oel s ALA 263 Cb -0.17 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2oel s ALA 263 CO 0.04 -0.34 0.30 -1.58 0.00 0.00 0.00 175.76 174.18 2oel s HIS 264 N 1.37 3.63 -2.00 0.00 2.46 -0.66 -2.15 115.29 117.94 2oel s HIS 264 Ca 0.36 0.72 0.24 0.00 0.47 0.00 0.00 55.06 56.85 2oel s HIS 264 Cb -0.17 -2.09 1.45 0.00 -0.13 0.00 0.00 32.58 31.64 2oel s HIS 264 CO 0.15 0.64 1.83 -0.35 -2.47 0.00 0.00 174.74 174.54 2oel n PRO 265 N 1.48 0.81 -1.59 2.88 -0.04 -1.25 -4.31 135.00 132.98 2oel n PRO 265 Ca -0.13 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 62.80 2oel n PRO 265 Cb 0.53 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2oel n PRO 265 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2oel n ALA 266 N -0.97 -0.95 -0.04 0.55 0.00 -1.26 -0.81 120.51 117.03 2oel n ALA 266 Ca 0.18 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.14 2oel n ALA 266 Cb 0.08 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2oel n ALA 266 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2oel n PHE 267 N 2.61 0.00 0.26 0.00 7.35 -1.26 -4.31 117.46 122.11 2oel n PHE 267 Ca 0.19 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 57.00 2oel n PHE 267 Cb 0.19 -0.20 0.70 0.00 0.35 0.00 0.00 39.48 40.51 2oel n PHE 267 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2oel h SER 268 N 0.00 0.00 0.45 -2.13 4.64 -1.33 -2.15 113.55 113.03 2oel h SER 268 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2oel h SER 268 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2oel h SER 268 CO 0.00 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 2oel n GLY 269 N -0.69 -1.04 0.18 -0.77 0.00 -1.26 -1.50 105.19 100.11 2oel n GLY 269 Ca -0.02 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.20 2oel n GLY 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oel h ALA 270 N 2.24 1.00 0.00 4.61 0.00 -1.78 -3.36 119.26 121.98 2oel h ALA 270 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 2oel h ALA 270 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2oel h ALA 270 CO 0.00 0.00 -1.63 0.28 0.00 0.00 0.00 179.25 177.90 2oel n VAL 271 N -2.65 0.63 -0.00 0.00 0.31 -0.56 -4.90 118.33 111.16 2oel n VAL 271 Ca 0.03 -0.36 -0.13 0.00 -0.01 0.00 0.00 64.34 63.88 2oel n VAL 271 Cb 0.40 -0.79 -0.14 0.00 -0.91 0.00 0.00 33.84 32.39 2oel n VAL 271 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 2oel h THR 272 N 0.00 0.84 0.00 2.52 1.35 -1.55 -2.31 112.91 113.76 2oel h THR 272 Ca -0.25 -2.63 -0.02 0.00 -0.55 0.00 0.00 66.41 62.96 2oel h THR 272 Cb 1.53 2.50 -0.00 0.00 -1.73 0.00 0.00 68.15 70.44 2oel h THR 272 CO 0.00 0.66 -0.09 1.55 -0.25 0.00 0.00 175.52 177.39 2oel h PRO 273 N 0.03 0.00 -7.06 4.72 0.13 -1.86 -3.43 132.00 124.53 2oel h PRO 273 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 2oel h PRO 273 Cb 2.01 0.00 0.12 0.00 0.13 0.00 0.00 31.00 33.26 2oel h PRO 273 CO 0.09 0.09 0.54 0.45 -0.23 0.00 0.00 178.00 178.94 2oel s SER 274 N -6.88 5.34 0.27 1.44 0.15 -1.26 -4.94 113.70 107.82 2oel s SER 274 Ca -0.04 2.56 0.20 0.00 0.70 0.00 0.00 55.95 59.36 2oel s SER 274 Cb 0.16 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.95 2oel s SER 274 CO 0.66 -1.50 1.29 -0.08 1.20 0.00 0.00 173.24 174.81 2oel h GLU 275 N 1.31 0.00 0.00 5.44 4.81 -2.00 -3.38 114.58 120.77 2oel h GLU 275 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2oel h GLU 275 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 2oel h GLU 275 CO 0.57 0.19 -1.26 1.19 -0.73 0.00 0.00 179.01 178.97 2oel n PHE 276 N -3.00 0.00 -4.52 0.92 3.72 -1.26 -4.96 117.46 108.36 2oel n PHE 276 Ca 0.00 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.14 2oel n PHE 276 Cb 0.65 -0.17 -0.07 0.00 -0.94 0.00 0.00 39.48 38.94 2oel n PHE 276 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2oel n TYR 277 N -1.72 0.21 -4.09 1.38 4.01 -1.26 -2.60 117.16 113.09 2oel n TYR 277 Ca -0.01 -2.61 0.00 0.00 -0.16 0.00 0.00 57.90 55.12 2oel n TYR 277 Cb 0.22 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2oel n TYR 277 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2oel n GLY 278 N -0.82 -0.84 3.06 2.72 0.00 -1.26 -4.46 105.19 103.59 2oel n GLY 278 Ca -0.07 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.54 2oel n GLY 278 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oel s VAL 279 N 0.00 1.09 0.35 1.61 1.01 -0.87 -0.72 120.40 122.87 2oel s VAL 279 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 2oel s VAL 279 Cb 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 36.38 35.32 2oel s VAL 279 CO 0.00 0.33 1.40 0.00 0.00 0.00 0.00 175.10 176.82 2oel s ALA 280 N 0.15 3.54 0.44 5.51 0.00 0.45 -3.96 121.76 127.89 2oel s ALA 280 Ca -0.04 1.42 0.13 0.00 0.00 0.00 0.00 51.96 53.47 2oel s ALA 280 Cb -0.10 -3.54 1.03 0.00 0.00 0.00 0.00 23.12 20.50 2oel s ALA 280 CO 0.01 -0.85 2.00 -1.00 0.00 0.00 0.00 175.76 175.92 2oel h PRO 281 N 3.21 0.39 -0.40 0.00 0.13 -1.92 -0.97 132.00 132.44 2oel h PRO 281 Ca -0.50 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2oel h PRO 281 Cb 1.23 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2oel h PRO 281 CO 0.65 0.26 0.27 0.66 -0.23 0.00 0.00 178.00 179.60 2oel h SER 282 N 0.40 0.41 0.00 1.44 4.64 -1.88 0.92 113.55 119.48 2oel h SER 282 Ca 0.25 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.43 2oel h SER 282 Cb 0.46 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 2oel h SER 282 CO -0.07 0.29 -0.75 0.25 -0.87 0.00 0.00 176.83 175.68 2oel h LEU 283 N 0.48 0.00 -0.40 5.97 5.85 -1.54 0.06 115.31 125.73 2oel h LEU 283 Ca 0.16 -0.66 -0.06 0.00 0.84 0.00 0.00 57.88 58.16 2oel h LEU 283 Cb 0.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2oel h LEU 283 CO -0.04 1.27 0.02 -0.25 -0.34 0.00 0.00 178.44 179.10 2oel h TRP 284 N -1.00 0.76 0.00 1.25 -0.00 -1.13 -1.45 115.95 114.38 2oel h TRP 284 Ca -0.20 -0.13 -0.21 0.00 -0.00 0.00 0.00 58.89 58.35 2oel h TRP 284 Cb 1.14 -0.20 -0.04 0.00 -0.00 0.00 0.00 29.16 30.06 2oel h TRP 284 CO 0.15 0.76 -2.03 1.28 -0.00 0.00 0.00 178.44 178.61 2oel n LEU 285 N -4.46 0.22 0.00 0.65 4.77 0.29 -4.31 117.00 114.15 2oel n LEU 285 Ca -0.01 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2oel n LEU 285 Cb 0.27 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2oel n LEU 285 CO 0.40 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 2oel n GLY 286 N 1.51 0.08 0.18 -0.72 0.00 -1.00 -4.39 105.19 100.85 2oel n GLY 286 Ca -0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.79 2oel n GLY 286 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2oel h LYS 287 N 0.00 0.01 -0.28 1.61 3.64 -0.99 -2.10 116.57 118.45 2oel h LYS 287 Ca 0.00 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 2oel h LYS 287 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2oel h LYS 287 CO 0.00 0.00 -0.42 -0.07 -2.27 0.00 0.00 179.45 176.70 2oel h LEU 288 N 0.01 0.72 -0.64 5.20 3.38 -1.52 -2.13 115.31 120.33 2oel h LEU 288 Ca 0.21 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 2oel h LEU 288 Cb 0.31 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2oel h LEU 288 CO -0.44 1.05 -0.44 -0.07 0.09 0.00 0.00 178.44 178.63 2oel h LEU 289 N 0.55 0.59 -0.15 1.67 3.38 -1.71 -0.13 115.31 119.51 2oel h LEU 289 Ca 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2oel h LEU 289 Cb 0.95 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2oel h LEU 289 CO 0.09 0.95 0.03 -0.09 0.09 0.00 0.00 178.44 179.51 2oel h ARG 290 N 0.44 0.25 -0.87 1.13 2.43 -1.32 -1.23 114.38 115.21 2oel h ARG 290 Ca 0.03 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2oel h ARG 290 Cb 0.95 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 2oel h ARG 290 CO 0.08 0.42 0.53 1.25 -1.51 0.00 0.00 179.97 180.74 2oel h LEU 291 N 0.04 1.05 -1.23 3.80 6.46 -1.29 -2.56 115.31 121.59 2oel h LEU 291 Ca 0.05 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.69 2oel h LEU 291 Cb 0.28 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2oel h LEU 291 CO 0.00 0.80 -0.28 0.00 -0.62 0.00 0.00 178.44 178.35 2oel h ALA 292 N 1.38 1.10 0.00 1.25 0.00 -0.83 -0.60 119.26 121.55 2oel h ALA 292 Ca 0.31 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2oel h ALA 292 Cb -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2oel h ALA 292 CO -0.06 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.95 2oel n GLY 293 N -0.05 0.74 3.70 0.00 0.00 -0.80 -3.26 105.19 105.51 2oel n GLY 293 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2oel n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oel s ALA 294 N -1.23 3.34 -0.08 4.61 0.00 -0.53 -4.33 121.76 123.54 2oel s ALA 294 Ca 0.00 0.63 0.14 0.00 0.00 0.00 0.00 51.96 52.73 2oel s ALA 294 Cb 0.00 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 2oel s ALA 294 CO 0.00 -0.47 1.12 -0.44 0.00 0.00 0.00 175.76 175.97 2oel h ASP 295 N 6.99 0.00 -4.23 0.00 3.32 -1.39 -3.41 116.42 117.70 2oel h ASP 295 Ca -0.38 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.25 2oel h ASP 295 Cb 1.19 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.48 2oel h ASP 295 CO 0.81 0.68 -0.79 -0.36 -1.72 0.00 0.00 179.24 177.87 2oel s PHE 296 N -2.86 1.04 -0.14 4.55 0.08 -1.02 -0.59 117.98 119.04 2oel s PHE 296 Ca 0.00 -0.27 -0.02 0.00 0.12 0.00 0.00 56.93 56.76 2oel s PHE 296 Cb 0.08 -0.64 0.04 0.00 -0.57 0.00 0.00 43.02 41.94 2oel s PHE 296 CO 0.79 -0.00 0.01 0.08 -0.10 0.00 0.00 175.22 176.00 2oel s VAL 297 N -0.57 0.54 -0.04 -0.44 1.01 -0.34 -1.23 120.40 119.33 2oel s VAL 297 Ca 0.02 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2oel s VAL 297 Cb -0.06 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 2oel s VAL 297 CO 0.00 0.04 0.53 -0.76 0.00 0.00 0.00 175.10 174.92 2oel s LEU 298 N 1.88 4.38 0.08 3.92 1.02 -0.91 -1.31 118.68 127.73 2oel s LEU 298 Ca 0.02 1.03 -0.08 0.00 0.02 0.00 0.00 54.13 55.12 2oel s LEU 298 Cb -0.15 -2.81 -0.00 0.00 0.02 0.00 0.00 46.19 43.25 2oel s LEU 298 CO -0.07 0.10 0.17 0.72 0.02 0.00 0.00 176.35 177.30 2oel s PHE 299 N -0.08 0.16 -0.12 0.29 -0.12 -0.90 -3.75 117.98 113.45 2oel s PHE 299 Ca 0.29 -0.56 -0.35 0.00 -0.05 0.00 0.00 56.93 56.25 2oel s PHE 299 Cb -0.17 -0.08 -0.13 0.00 -0.63 0.00 0.00 43.02 42.01 2oel s PHE 299 CO 0.15 -0.51 1.84 -2.30 -0.05 0.00 0.00 175.22 174.35 2oel n PRO 300 N 0.10 1.96 -1.49 1.99 -0.02 -1.26 -0.10 135.00 136.17 2oel n PRO 300 Ca -0.16 0.72 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 2oel n PRO 300 Cb 0.62 -2.53 0.08 0.00 -0.02 0.00 0.00 33.50 31.65 2oel n PRO 300 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2oel s SER 301 N 3.86 4.78 -0.21 2.55 1.04 -0.28 -4.54 113.70 120.90 2oel s SER 301 Ca 0.94 1.52 0.04 0.00 0.48 0.00 0.00 55.95 58.92 2oel s SER 301 Cb -0.77 -2.30 0.39 0.00 0.10 0.00 0.00 66.02 63.43 2oel s SER 301 CO 0.54 -1.81 1.41 -0.81 0.98 0.00 0.00 173.24 173.55 2oel n PRO 302 N -3.36 2.08 -4.22 4.02 -0.04 -1.26 -1.06 135.00 131.17 2oel n PRO 302 Ca 0.07 -1.66 -0.17 0.00 -0.04 0.00 0.00 63.50 61.71 2oel n PRO 302 Cb 0.55 -1.72 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 2oel n PRO 302 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2oel s TYR 303 N -1.84 1.32 0.00 0.54 2.02 -1.26 -4.68 117.35 113.45 2oel s TYR 303 Ca 0.31 -0.56 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 2oel s TYR 303 Cb 0.25 -0.70 0.00 0.00 -0.40 0.00 0.00 41.96 41.11 2oel s TYR 303 CO 0.07 0.11 0.00 0.41 -1.57 0.00 0.00 175.55 174.56 2oel n GLY 304 N 0.65 -2.50 0.38 0.71 0.00 -1.26 -3.92 105.19 99.24 2oel n GLY 304 Ca -0.16 -1.77 0.14 0.00 0.00 0.00 0.00 46.02 44.22 2oel n GLY 304 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2oel h SER 305 N 0.00 0.55 -0.59 1.61 4.64 -1.95 -2.72 113.55 115.09 2oel h SER 305 Ca 0.00 0.03 -0.43 0.00 -0.47 0.00 0.00 61.79 60.93 2oel h SER 305 Cb 0.00 -0.07 -0.36 0.00 -0.31 0.00 0.00 62.40 61.66 2oel h SER 305 CO 0.00 0.27 -0.81 1.33 -0.87 0.00 0.00 176.83 176.76 2oel n VAL 306 N -4.53 2.30 -1.64 0.95 0.24 -1.26 -5.08 118.33 109.31 2oel n VAL 306 Ca 0.17 -3.87 -0.45 0.00 -2.04 0.00 0.00 64.34 58.15 2oel n VAL 306 Cb 0.51 -0.71 -0.02 0.00 -1.47 0.00 0.00 33.84 32.15 2oel n VAL 306 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2oel n ALA 307 N -0.73 0.54 -1.98 2.33 0.00 -1.03 -4.91 120.51 114.73 2oel n ALA 307 Ca 0.36 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.80 2oel n ALA 307 Cb 0.91 -2.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 2oel n ALA 307 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2oel s LEU 308 N -0.05 4.57 0.07 0.00 2.96 -0.23 -4.90 118.68 121.11 2oel s LEU 308 Ca 0.62 1.64 -0.37 0.00 -0.22 0.00 0.00 54.13 55.80 2oel s LEU 308 Cb -0.67 -3.33 -0.17 0.00 0.50 0.00 0.00 46.19 42.51 2oel s LEU 308 CO 0.57 0.19 1.25 1.21 -1.32 0.00 0.00 176.35 178.25 2oel n GLU 309 N 1.51 0.84 -0.29 1.98 0.00 -1.26 -4.12 120.64 119.30 2oel n GLU 309 Ca -0.05 0.30 -0.04 0.00 0.00 0.00 0.00 57.16 57.37 2oel n GLU 309 Cb 0.49 -1.89 0.02 0.00 0.00 0.00 0.00 31.44 30.05 2oel n GLU 309 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2oel h ARG 310 N 4.03 -0.09 -0.22 5.31 2.43 -1.93 0.12 114.38 124.03 2oel h ARG 310 Ca -0.48 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2oel h ARG 310 Cb 1.36 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2oel h ARG 310 CO 0.74 -0.06 0.12 0.93 -1.51 0.00 0.00 179.97 180.19 2oel h GLU 311 N -0.09 0.30 -0.11 0.20 4.39 -1.99 -1.01 114.58 116.26 2oel h GLU 311 Ca 0.28 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2oel h GLU 311 Cb 0.57 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2oel h GLU 311 CO -0.82 0.22 0.03 1.96 -1.16 0.00 0.00 179.01 179.24 2oel h GLN 312 N 0.31 0.18 -0.53 2.33 1.08 -1.33 0.03 115.11 117.17 2oel h GLN 312 Ca 0.08 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2oel h GLN 312 Cb 0.01 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 2oel h GLN 312 CO -0.01 0.35 0.35 0.00 -0.95 0.00 0.00 178.83 178.57 2oel h ALA 313 N 0.82 0.68 -0.41 3.87 0.00 -0.75 -1.43 119.26 122.04 2oel h ALA 313 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2oel h ALA 313 Cb 0.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2oel h ALA 313 CO 0.00 0.11 -0.02 -0.07 0.00 0.00 0.00 179.25 179.28 2oel h LEU 314 N 0.72 0.63 -0.97 0.00 3.38 -1.11 -2.16 115.31 115.80 2oel h LEU 314 Ca 0.20 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2oel h LEU 314 Cb -0.08 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 2oel h LEU 314 CO -0.05 0.71 0.41 1.23 0.09 0.00 0.00 178.44 180.84 2oel h GLY 315 N 0.93 1.23 0.80 0.83 0.00 -0.19 0.42 103.07 107.08 2oel h GLY 315 Ca 0.13 -0.58 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2oel h GLY 315 CO 0.02 0.55 -0.03 -2.22 0.00 0.00 0.00 176.54 174.86 2oel h ILE 316 N 1.14 1.07 -0.90 2.60 2.04 -0.79 -1.89 117.51 120.78 2oel h ILE 316 Ca 0.28 -0.45 0.04 0.00 1.00 0.00 0.00 64.86 65.72 2oel h ILE 316 Cb 0.08 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2oel h ILE 316 CO -0.04 0.11 0.58 0.00 0.00 0.00 0.00 178.15 178.81 2oel h ALA 317 N 0.63 1.20 -0.58 1.87 0.00 -1.07 -1.50 119.26 119.80 2oel h ALA 317 Ca -0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2oel h ALA 317 Cb 0.25 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2oel h ALA 317 CO 0.01 0.44 0.26 0.00 0.00 0.00 0.00 179.25 179.97 2oel h ARG 318 N 1.13 0.85 -0.58 0.00 3.08 -0.79 -1.71 114.38 116.35 2oel h ARG 318 Ca 0.36 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 2oel h ARG 318 Cb 0.01 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 2oel h ARG 318 CO -0.12 0.71 0.29 0.00 -1.07 0.00 0.00 179.97 179.77 2oel h ALA 319 N 1.10 1.41 -0.00 0.04 0.00 -0.74 0.17 119.26 121.24 2oel h ALA 319 Ca 0.20 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2oel h ALA 319 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2oel h ALA 319 CO -0.02 0.47 -0.59 -0.07 0.00 0.00 0.00 179.25 179.04 2oel h LEU 320 N 0.82 0.01 0.00 0.00 3.38 -0.81 -3.37 115.31 115.33 2oel h LEU 320 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2oel h LEU 320 Cb 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2oel h LEU 320 CO -0.03 0.60 -0.30 0.35 0.09 0.00 0.00 178.44 179.15 2oel n THR 321 N -3.84 0.00 -1.55 0.22 -2.24 -0.69 -0.92 114.28 105.26 2oel n THR 321 Ca -0.01 -0.35 -0.55 0.00 -2.27 0.00 0.00 64.05 60.87 2oel n THR 321 Cb 0.59 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.75 2oel n THR 321 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2oel n ASP 322 N -1.15 2.15 -0.15 3.42 2.03 0.55 -4.80 116.55 118.59 2oel n ASP 322 Ca 0.01 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.08 2oel n ASP 322 Cb 0.10 -1.17 0.01 0.00 -0.72 0.00 0.00 41.12 39.34 2oel n ASP 322 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2oel n ASP 323 N 7.50 0.35 0.04 1.67 5.68 -1.26 -2.91 116.55 127.63 2oel n ASP 323 Ca 0.36 -2.01 0.13 0.00 -0.50 0.00 0.00 54.79 52.77 2oel n ASP 323 Cb 0.16 -0.11 0.35 0.00 -1.14 0.00 0.00 41.12 40.37 2oel n ASP 323 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2oel n GLN 324 N -0.33 0.15 -3.16 0.11 1.13 -1.26 -4.85 117.38 109.17 2oel n GLN 324 Ca 0.01 0.08 -0.34 0.00 -1.94 0.00 0.00 57.00 54.81 2oel n GLN 324 Cb 0.07 -1.63 -0.06 0.00 0.11 0.00 0.00 30.24 28.74 2oel n GLN 324 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2oel s GLU 325 N -3.07 4.07 0.00 -1.09 0.41 -1.15 -4.96 118.70 112.91 2oel s GLU 325 Ca 0.10 0.69 0.00 0.00 -0.41 0.00 0.00 54.97 55.36 2oel s GLU 325 Cb 0.15 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 2oel s GLU 325 CO 0.64 0.27 0.53 -0.35 -0.49 0.00 0.00 175.26 175.86 2oel n PRO 326 N 0.09 0.89 -4.42 0.39 -0.04 -1.26 -4.79 135.00 125.84 2oel n PRO 326 Ca 0.01 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.20 2oel n PRO 326 Cb 0.52 -1.37 -0.12 0.00 -0.04 0.00 0.00 33.50 32.50 2oel n PRO 326 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2oel s PHE 327 N -0.78 2.30 0.77 0.54 0.08 -1.26 -4.96 117.98 114.67 2oel s PHE 327 Ca 0.00 -0.36 -0.12 0.00 0.12 0.00 0.00 56.93 56.57 2oel s PHE 327 Cb 0.00 -1.14 0.06 0.00 -0.57 0.00 0.00 43.02 41.37 2oel s PHE 327 CO 0.00 0.50 1.14 0.00 -0.10 0.00 0.00 175.22 176.76 2oel s ALA 328 N -1.67 2.07 0.26 5.36 0.00 -1.26 -4.96 121.76 121.56 2oel s ALA 328 Ca 0.21 0.56 -0.30 0.00 0.00 0.00 0.00 51.96 52.43 2oel s ALA 328 Cb -0.08 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 2oel s ALA 328 CO 0.10 -1.94 1.06 1.03 0.00 0.00 0.00 175.76 176.00 2oel s ARG 329 N -4.43 4.70 -0.03 0.00 0.52 -1.26 -4.40 118.95 114.04 2oel s ARG 329 Ca 0.67 1.72 -0.03 0.00 -0.52 0.00 0.00 55.73 57.56 2oel s ARG 329 Cb -0.22 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 31.99 2oel s ARG 329 CO 0.51 0.29 0.17 0.00 0.02 0.00 0.00 175.30 176.28 2oel s ALA 330 N -1.12 3.91 -0.11 2.13 0.00 -0.10 -0.55 121.76 125.92 2oel s ALA 330 Ca 0.44 -0.75 -0.29 0.00 0.00 0.00 0.00 51.96 51.36 2oel s ALA 330 Cb -0.30 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 2oel s ALA 330 CO 0.38 0.72 1.43 -0.06 0.00 0.00 0.00 175.76 178.24 2oel s PHE 331 N -1.26 2.49 0.06 0.00 2.99 0.24 -4.42 117.98 118.08 2oel s PHE 331 Ca 0.25 0.66 -0.29 0.00 0.00 0.00 0.00 56.93 57.54 2oel s PHE 331 Cb -0.12 -3.68 -0.05 0.00 0.00 0.00 0.00 43.02 39.16 2oel s PHE 331 CO 0.15 -2.64 0.93 -2.14 -0.00 0.00 0.00 175.22 171.52 2oel s PRO 332 N 3.64 4.62 -0.51 0.24 0.02 -1.26 -1.20 135.00 140.55 2oel s PRO 332 Ca 0.63 1.36 0.04 0.00 0.02 0.00 0.00 61.00 63.05 2oel s PRO 332 Cb -0.27 -3.40 0.16 0.00 0.02 0.00 0.00 34.50 31.01 2oel s PRO 332 CO 0.22 0.14 0.36 0.08 -0.33 0.00 0.00 177.00 177.47 2oel s VAL 333 N 0.31 1.41 0.18 3.83 1.01 -0.43 -2.59 120.40 124.12 2oel s VAL 333 Ca 0.47 -3.12 -0.32 0.00 0.00 0.00 0.00 61.98 59.01 2oel s VAL 333 Cb -0.22 -1.95 -0.11 0.00 0.00 0.00 0.00 36.38 34.10 2oel s VAL 333 CO 0.28 -1.07 1.69 -2.16 0.00 0.00 0.00 175.10 173.84 2oel s PRO 334 N -0.33 4.15 0.08 2.72 0.04 -1.26 -2.13 135.00 138.27 2oel s PRO 334 Ca 0.26 2.53 0.07 0.00 0.04 0.00 0.00 61.00 63.91 2oel s PRO 334 Cb -0.06 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.27 2oel s PRO 334 CO -0.13 -0.73 -0.20 -1.12 0.04 0.00 0.00 177.00 174.86 2oel s SER 335 N 1.39 2.36 0.00 6.66 0.01 0.86 -4.31 113.70 120.67 2oel s SER 335 Ca 0.74 -0.62 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2oel s SER 335 Cb -0.47 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2oel s SER 335 CO 0.32 0.07 0.00 0.00 0.41 0.00 0.00 173.24 174.04 2oel n ALA 336 N 1.35 -0.50 -1.79 1.44 0.00 -1.26 -1.13 120.51 118.63 2oel n ALA 336 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 2oel n ALA 336 Cb 0.54 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 2oel n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oel n GLY 337 N 0.56 0.68 3.83 0.00 0.00 -1.26 -4.56 105.19 104.43 2oel n GLY 337 Ca 0.00 -0.37 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2oel n GLY 337 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2oel s ILE 338 N -2.57 5.35 0.01 -0.61 -1.09 -1.26 -4.39 121.20 116.63 2oel s ILE 338 Ca 0.00 0.42 -0.23 0.00 -2.23 0.00 0.00 60.65 58.61 2oel s ILE 338 Cb 0.00 -3.52 0.05 0.00 -1.58 0.00 0.00 42.46 37.41 2oel s ILE 338 CO 0.00 0.55 0.51 -1.38 -1.23 0.00 0.00 174.94 173.40 2oel s HIS 339 N -0.65 -0.43 0.48 3.97 -3.43 -1.26 -4.93 115.29 109.05 2oel s HIS 339 Ca 0.17 0.59 0.34 0.00 -0.80 0.00 0.00 55.06 55.35 2oel s HIS 339 Cb -0.13 0.30 1.46 0.00 -1.43 0.00 0.00 32.58 32.78 2oel s HIS 339 CO 0.06 -0.58 1.69 -1.00 -2.00 0.00 0.00 174.74 172.91 2oel h PRO 340 N 3.07 0.10 0.00 -0.38 0.13 -1.93 0.34 132.00 133.33 2oel h PRO 340 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2oel h PRO 340 Cb 1.19 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2oel h PRO 340 CO 0.41 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.65 2oel n GLY 341 N -1.66 -0.90 0.11 1.56 0.00 -1.26 -2.06 105.19 100.98 2oel n GLY 341 Ca 0.33 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.41 2oel n GLY 341 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2oel n LEU 342 N -1.52 1.18 -0.24 0.99 4.77 0.12 -1.55 117.00 120.74 2oel n LEU 342 Ca 0.03 -0.56 0.05 0.00 -0.03 0.00 0.00 56.01 55.49 2oel n LEU 342 Cb 0.13 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.39 2oel n LEU 342 CO 0.11 0.27 0.94 0.58 -1.33 0.00 0.00 177.39 177.95 2oel h VAL 343 N 0.54 0.55 -0.90 4.08 2.07 -1.47 0.14 116.25 121.26 2oel h VAL 343 Ca 0.00 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.47 2oel h VAL 343 Cb 0.53 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.48 2oel h VAL 343 CO 0.00 0.05 0.57 -0.65 0.02 0.00 0.00 177.57 177.57 2oel h PRO 344 N 0.29 1.06 -0.27 1.57 0.11 -1.80 -1.71 132.00 131.24 2oel h PRO 344 Ca 0.40 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.27 2oel h PRO 344 Cb 0.65 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 2oel h PRO 344 CO -0.48 0.70 -0.52 1.25 -0.21 0.00 0.00 178.00 178.74 2oel h LEU 345 N 1.09 0.85 -0.13 2.35 5.85 -1.44 -2.05 115.31 121.82 2oel h LEU 345 Ca 0.37 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.65 2oel h LEU 345 Cb 0.06 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2oel h LEU 345 CO -0.14 1.21 0.06 0.40 -0.34 0.00 0.00 178.44 179.63 2oel h ILE 346 N 0.60 0.99 -0.55 4.05 2.04 -0.65 0.44 117.51 124.43 2oel h ILE 346 Ca 0.02 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2oel h ILE 346 Cb 1.10 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 2oel h ILE 346 CO 0.11 0.02 0.07 0.40 0.00 0.00 0.00 178.15 178.76 2oel h ILE 347 N 0.13 1.24 -0.44 -0.67 2.04 -1.32 0.12 117.51 118.62 2oel h ILE 347 Ca 0.05 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 2oel h ILE 347 Cb 0.01 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2oel h ILE 347 CO -0.04 0.35 -0.04 -0.09 0.00 0.00 0.00 178.15 178.33 2oel h ARG 348 N 0.84 0.80 -0.11 2.37 2.43 -0.97 0.36 114.38 120.09 2oel h ARG 348 Ca 0.17 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2oel h ARG 348 Cb 0.39 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2oel h ARG 348 CO 0.01 0.89 -0.21 -0.44 -1.51 0.00 0.00 179.97 178.70 2oel h ASP 349 N 0.64 0.38 0.00 -3.80 3.32 -0.66 -3.38 116.42 112.91 2oel h ASP 349 Ca 0.12 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2oel h ASP 349 Cb 0.55 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2oel h ASP 349 CO 0.03 0.86 -0.75 0.49 -1.72 0.00 0.00 179.24 178.15 2oel n PHE 350 N -4.51 0.00 -0.58 4.55 3.72 0.40 -5.04 117.46 116.00 2oel n PHE 350 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2oel n PHE 350 Cb 0.42 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 2oel n PHE 350 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2oel n GLY 351 N 1.37 -2.74 0.18 1.37 0.00 0.13 -4.51 105.19 100.98 2oel n GLY 351 Ca 0.03 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.38 2oel n GLY 351 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2oel h LEU 352 N 0.00 0.00 -6.21 0.99 3.38 -1.92 -3.35 115.31 108.20 2oel h LEU 352 Ca 0.00 0.00 -0.76 0.00 0.09 0.00 0.00 57.88 57.21 2oel h LEU 352 Cb 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.59 2oel h LEU 352 CO 0.00 0.43 2.00 0.47 0.09 0.00 0.00 178.44 181.43 2oel n ASP 353 N -3.65 6.27 -4.11 -0.43 8.00 -1.26 -3.11 116.55 118.25 2oel n ASP 353 Ca -0.01 -3.17 -0.11 0.00 0.71 0.00 0.00 54.79 52.21 2oel n ASP 353 Cb 0.52 -1.41 -0.08 0.00 -0.02 0.00 0.00 41.12 40.13 2oel n ASP 353 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2oel s THR 354 N -0.61 0.01 -0.09 -3.53 -1.32 -1.26 -4.44 115.64 104.40 2oel s THR 354 Ca 0.43 -1.75 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 2oel s THR 354 Cb 0.12 -2.31 -0.00 0.00 -1.51 0.00 0.00 72.50 68.81 2oel s THR 354 CO -0.02 -0.07 -0.23 -0.63 -2.21 0.00 0.00 174.62 171.46 2oel s ILE 355 N -4.09 1.97 -0.41 5.08 1.01 -1.07 -1.90 121.20 121.79 2oel s ILE 355 Ca 0.31 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 59.73 2oel s ILE 355 Cb 0.04 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.84 2oel s ILE 355 CO 0.09 0.54 0.94 -0.69 0.00 0.00 0.00 174.94 175.82 2oel s VAL 356 N 0.30 4.51 -0.67 2.92 1.01 0.80 -4.32 120.40 124.96 2oel s VAL 356 Ca -0.16 1.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.64 2oel s VAL 356 Cb -0.17 -4.40 0.11 0.00 0.00 0.00 0.00 36.38 31.92 2oel s VAL 356 CO 0.08 -0.69 0.80 0.21 0.00 0.00 0.00 175.10 175.50 2oel s ASN 357 N 2.08 6.29 0.32 3.32 3.84 -1.26 -1.15 114.94 128.37 2oel s ASN 357 Ca 0.38 -1.55 0.25 0.00 0.21 0.00 0.00 52.86 52.16 2oel s ASN 357 Cb -0.11 -2.32 1.09 0.00 -0.55 0.00 0.00 41.25 39.35 2oel s ASN 357 CO 0.23 -1.11 1.76 0.00 -2.79 0.00 0.00 177.10 175.19 2oel h ALA 358 N 9.08 1.00 -0.79 1.71 0.00 -1.03 -3.44 119.26 125.81 2oel h ALA 358 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2oel h ALA 358 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2oel h ALA 358 CO 1.09 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.75 2oel n GLY 359 N -0.11 0.98 0.00 0.00 0.00 -1.24 -2.44 105.19 102.38 2oel n GLY 359 Ca 0.01 -0.63 0.14 0.00 0.00 0.00 0.00 46.02 45.55 2oel n GLY 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2oel n GLY 360 N 0.00 -1.46 0.28 -0.02 0.00 -1.26 -1.91 105.19 100.83 2oel n GLY 360 Ca 0.00 -0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.07 2oel n GLY 360 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2oel h GLY 361 N 5.00 0.00 1.39 -0.02 0.00 -1.81 -2.81 103.07 104.82 2oel h GLY 361 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2oel h GLY 361 CO 0.00 0.00 0.25 1.19 0.00 0.00 0.00 176.54 177.98 2oel h ILE 362 N 0.00 0.35 0.00 2.60 2.10 -1.59 0.29 117.51 121.26 2oel h ILE 362 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2oel h ILE 362 Cb 0.32 0.79 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 2oel h ILE 362 CO 0.01 0.00 -0.14 1.41 -1.08 0.00 0.00 178.15 178.34 2oel n HIS 363 N -3.60 0.76 1.64 2.19 8.25 -1.06 -3.60 115.22 119.81 2oel n HIS 363 Ca 0.02 0.22 0.07 0.00 -0.26 0.00 0.00 57.72 57.76 2oel n HIS 363 Cb 0.37 -0.83 0.30 0.00 1.12 0.00 0.00 29.99 30.95 2oel n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2oel n GLY 364 N 1.33 -0.44 3.74 -1.41 0.00 0.10 -4.56 105.19 103.96 2oel n GLY 364 Ca 0.05 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 2oel n GLY 364 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2oel s HIS 365 N -1.88 3.87 0.47 1.61 5.04 -1.24 -4.92 115.29 118.25 2oel s HIS 365 Ca 0.21 1.78 0.41 0.00 -1.54 0.00 0.00 55.06 55.92 2oel s HIS 365 Cb 0.10 -2.97 1.52 0.00 0.04 0.00 0.00 32.58 31.28 2oel s HIS 365 CO 0.16 0.33 1.44 -2.30 -2.34 0.00 0.00 174.74 172.03 2oel n PRO 366 N 2.23 -0.01 -1.01 2.88 -0.02 -1.26 0.36 135.00 138.17 2oel n PRO 366 Ca -0.01 1.06 -0.12 0.00 -2.02 0.00 0.00 63.50 62.41 2oel n PRO 366 Cb 0.49 -2.30 0.18 0.00 -0.02 0.00 0.00 33.50 31.84 2oel n PRO 366 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2oel n ASP 367 N -4.05 3.18 -0.14 2.55 8.00 -1.26 -5.09 116.55 119.74 2oel n ASP 367 Ca 0.40 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 52.14 2oel n ASP 367 Cb 1.72 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 2oel n ASP 367 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2oel n GLY 368 N -1.10 -1.14 0.30 0.44 0.00 0.16 -2.75 105.19 101.10 2oel n GLY 368 Ca 0.42 -1.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 2oel n GLY 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oel h ALA 369 N -0.33 0.99 -0.32 4.61 0.00 -1.81 -0.87 119.26 121.54 2oel h ALA 369 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2oel h ALA 369 Cb 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2oel h ALA 369 CO 0.00 0.62 0.19 0.82 0.00 0.00 0.00 179.25 180.89 2oel h ILE 370 N 0.87 1.05 -0.51 0.00 2.04 -1.71 0.44 117.51 119.69 2oel h ILE 370 Ca 0.16 -0.14 -0.09 0.00 1.00 0.00 0.00 64.86 65.80 2oel h ILE 370 Cb 0.49 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 2oel h ILE 370 CO 0.02 0.07 -0.03 1.23 0.00 0.00 0.00 178.15 179.45 2oel h GLY 371 N 0.40 1.00 1.02 5.37 0.00 -1.36 -1.34 103.07 108.16 2oel h GLY 371 Ca 0.12 -0.76 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 2oel h GLY 371 CO -0.05 0.69 0.41 -1.33 0.00 0.00 0.00 176.54 176.27 2oel h GLY 372 N 0.79 1.20 1.02 4.60 0.00 -0.65 -0.62 103.07 109.41 2oel h GLY 372 Ca 0.14 -0.57 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 2oel h GLY 372 CO 0.03 0.54 -0.09 -1.33 0.00 0.00 0.00 176.54 175.69 2oel h GLY 373 N 1.10 0.94 1.39 4.60 0.00 0.04 -2.36 103.07 108.79 2oel h GLY 373 Ca 0.28 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 2oel h GLY 373 CO -0.04 0.70 0.09 3.21 0.00 0.00 0.00 176.54 180.49 2oel h ARG 374 N 0.71 0.76 -0.46 4.80 3.08 -0.72 -0.75 114.38 121.81 2oel h ARG 374 Ca 0.12 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 2oel h ARG 374 Cb 0.63 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.55 2oel h ARG 374 CO 0.04 0.72 0.16 0.00 -1.07 0.00 0.00 179.97 179.81 2oel h ALA 375 N 1.36 0.60 -0.29 0.04 0.00 -0.91 -0.51 119.26 119.56 2oel h ALA 375 Ca 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2oel h ALA 375 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2oel h ALA 375 CO 0.00 0.24 -0.03 0.74 0.00 0.00 0.00 179.25 180.20 2oel h PHE 376 N 0.60 0.58 -0.87 0.00 0.04 -1.07 -1.50 116.94 114.73 2oel h PHE 376 Ca 0.15 -0.11 -0.02 0.00 2.80 0.00 0.00 57.97 60.79 2oel h PHE 376 Cb 0.24 -0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 2oel h PHE 376 CO 0.01 0.69 0.46 0.00 -0.60 0.00 0.00 178.31 178.87 2oel h ARG 377 N 0.30 1.23 -0.63 1.51 2.47 -1.03 -0.51 114.38 117.72 2oel h ARG 377 Ca 0.08 -0.16 -0.06 0.00 -1.26 0.00 0.00 59.98 58.58 2oel h ARG 377 Cb 0.48 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 2oel h ARG 377 CO 0.02 0.91 0.17 0.00 0.56 0.00 0.00 179.97 181.63 2oel h ALA 378 N 1.25 0.83 -0.70 0.04 0.00 -1.00 -1.46 119.26 118.23 2oel h ALA 378 Ca 0.30 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2oel h ALA 378 Cb 0.06 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2oel h ALA 378 CO -0.05 0.53 0.31 0.00 0.00 0.00 0.00 179.25 180.05 2oel h ALA 379 N 1.06 0.90 -0.08 0.00 0.00 -0.66 -0.18 119.26 120.30 2oel h ALA 379 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2oel h ALA 379 Cb 0.34 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2oel h ALA 379 CO -0.00 0.49 0.01 0.82 0.00 0.00 0.00 179.25 180.56 2oel h ILE 380 N 0.98 1.24 -0.79 0.00 2.04 -0.93 -2.37 117.51 117.68 2oel h ILE 380 Ca 0.24 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.43 2oel h ILE 380 Cb 0.16 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 2oel h ILE 380 CO -0.03 0.21 0.48 0.44 0.00 0.00 0.00 178.15 179.25 2oel h ASP 381 N -0.13 0.73 -0.45 1.72 3.32 -1.08 -2.02 116.42 118.51 2oel h ASP 381 Ca 0.02 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.12 2oel h ASP 381 Cb 0.32 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 2oel h ASP 381 CO 0.00 0.47 0.25 0.00 -1.72 0.00 0.00 179.24 178.24 2oel h ALA 382 N 1.39 0.57 -0.50 3.45 0.00 -0.89 -0.58 119.26 122.70 2oel h ALA 382 Ca 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 2oel h ALA 382 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2oel h ALA 382 CO -0.18 -0.08 0.26 0.28 0.00 0.00 0.00 179.25 179.53 2oel h VAL 383 N 0.51 1.18 0.00 0.00 2.07 -0.88 0.09 116.25 119.21 2oel h VAL 383 Ca 0.19 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.15 2oel h VAL 383 Cb 0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2oel h VAL 383 CO -0.10 0.20 -0.28 -0.07 0.02 0.00 0.00 177.57 177.34 2oel h LEU 384 N 0.67 0.00 -0.84 2.57 4.07 -1.06 -1.89 115.31 118.83 2oel h LEU 384 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2oel h LEU 384 Cb 0.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.82 2oel h LEU 384 CO -0.03 0.28 0.00 0.00 -1.08 0.00 0.00 178.44 177.61 2oel n ALA 385 N -2.35 2.55 -3.29 1.53 0.00 -0.25 -4.92 120.51 113.77 2oel n ALA 385 Ca -0.01 -0.43 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 2oel n ALA 385 Cb 0.38 -1.15 0.08 0.00 0.00 0.00 0.00 19.45 18.76 2oel n ALA 385 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2oel n GLY 386 N 1.06 -0.28 3.14 0.00 0.00 -0.71 -5.03 105.19 103.37 2oel n GLY 386 Ca 0.16 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2oel n GLY 386 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2oel s ARG 387 N -5.24 0.85 0.39 1.61 0.52 -0.04 -5.03 118.95 112.01 2oel s ARG 387 Ca 0.00 -0.81 -0.25 0.00 -0.52 0.00 0.00 55.73 54.15 2oel s ARG 387 Cb -0.00 -0.84 -0.09 0.00 0.52 0.00 0.00 34.95 34.54 2oel s ARG 387 CO 0.66 0.20 1.15 -2.14 0.02 0.00 0.00 175.30 175.19 2oel s PRO 388 N -1.35 4.10 0.22 3.54 0.02 -1.26 -4.19 135.00 136.08 2oel s PRO 388 Ca -0.00 1.79 -0.07 0.00 0.02 0.00 0.00 61.00 62.74 2oel s PRO 388 Cb -0.09 -2.69 0.33 0.00 0.02 0.00 0.00 34.50 32.08 2oel s PRO 388 CO 0.01 -0.27 1.78 -0.07 -0.33 0.00 0.00 177.00 178.13 2oel h LEU 389 N 2.68 0.46 -1.52 -5.54 3.38 -1.94 -0.32 115.31 112.50 2oel h LEU 389 Ca -0.49 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2oel h LEU 389 Cb 1.23 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 2oel h LEU 389 CO 0.63 0.26 0.19 0.03 0.09 0.00 0.00 178.44 179.63 2oel h ARG 390 N 0.60 0.51 -0.15 1.13 3.08 -1.97 1.65 114.38 119.23 2oel h ARG 390 Ca 0.35 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 2oel h ARG 390 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2oel h ARG 390 CO -0.27 0.39 0.04 0.00 -1.07 0.00 0.00 179.97 179.06 2oel h ALA 391 N 1.69 0.20 -0.05 0.04 0.00 -1.47 -0.23 119.26 119.44 2oel h ALA 391 Ca 0.13 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2oel h ALA 391 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2oel h ALA 391 CO -0.02 -0.16 -0.60 0.00 0.00 0.00 0.00 179.25 178.47 2oel h ALA 392 N 0.84 0.90 -0.29 0.00 0.00 -0.33 -3.04 119.26 117.34 2oel h ALA 392 Ca 0.05 -0.54 -0.08 0.00 0.00 0.00 0.00 54.91 54.34 2oel h ALA 392 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2oel h ALA 392 CO 0.00 0.73 -0.16 0.00 0.00 0.00 0.00 179.25 179.82 2oel h ALA 393 N 1.25 1.18 0.00 0.00 0.00 0.27 -0.92 119.26 121.04 2oel h ALA 393 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oel h ALA 393 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2oel h ALA 393 CO 0.09 0.52 0.00 0.00 0.00 0.00 0.00 179.25 179.86 2oel n ALA 394 N -2.48 1.36 -0.21 0.00 0.00 -0.12 -0.89 120.51 118.16 2oel n ALA 394 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2oel n ALA 394 Cb 0.35 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.71 2oel n ALA 394 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2oel n GLU 395 N -1.37 -0.35 -3.63 0.00 1.02 -0.55 -4.95 120.64 110.81 2oel n GLU 395 Ca 0.02 -0.36 -0.28 0.00 -0.02 0.00 0.00 57.16 56.52 2oel n GLU 395 Cb 0.05 -0.85 -0.16 0.00 -0.02 0.00 0.00 31.44 30.46 2oel n GLU 395 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2oel s ASN 396 N -0.05 3.18 0.13 1.62 3.84 -0.07 -5.03 114.94 118.55 2oel s ASN 396 Ca 0.00 -1.07 -0.18 0.00 0.21 0.00 0.00 52.86 51.82 2oel s ASN 396 Cb 0.00 -0.46 -0.03 0.00 -0.55 0.00 0.00 41.25 40.22 2oel s ASN 396 CO 0.00 -0.38 1.78 1.05 -2.79 0.00 0.00 177.10 176.75 2oel h GLU 397 N 8.33 0.42 -0.64 0.43 4.11 -1.90 0.11 114.58 125.43 2oel h GLU 397 Ca -0.17 -0.03 0.13 0.00 0.07 0.00 0.00 59.36 59.36 2oel h GLU 397 Cb 1.07 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.13 2oel h GLU 397 CO 0.38 0.30 0.11 0.00 0.07 0.00 0.00 179.01 179.88 2oel h ALA 398 N 1.09 0.75 -0.09 1.06 0.00 -1.92 0.40 119.26 120.56 2oel h ALA 398 Ca 0.11 0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2oel h ALA 398 Cb -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2oel h ALA 398 CO -0.02 -0.34 -0.51 1.25 0.00 0.00 0.00 179.25 179.64 2oel h LEU 399 N 0.23 0.25 -0.05 0.00 5.85 -1.77 -2.85 115.31 116.97 2oel h LEU 399 Ca 0.34 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 2oel h LEU 399 Cb 0.55 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2oel h LEU 399 CO -0.46 0.72 0.03 -0.61 -0.34 0.00 0.00 178.44 177.77 2oel h GLN 400 N 0.18 0.07 -0.32 1.25 5.75 0.23 -1.35 115.11 120.91 2oel h GLN 400 Ca 0.01 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 2oel h GLN 400 Cb 0.96 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.43 2oel h GLN 400 CO 0.08 0.12 -0.06 0.87 -2.65 0.00 0.00 178.83 177.19 2oel h LYS 401 N -0.00 0.02 -0.08 1.69 1.79 -0.37 -1.84 116.57 117.78 2oel h LYS 401 Ca 0.02 -0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2oel h LYS 401 Cb 0.07 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2oel h LYS 401 CO -0.00 0.02 -0.02 0.00 -1.08 0.00 0.00 179.45 178.36 2oel h ALA 402 N 1.31 0.05 -0.70 3.86 0.00 -1.30 -2.43 119.26 120.06 2oel h ALA 402 Ca 0.16 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.14 2oel h ALA 402 Cb 0.23 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2oel h ALA 402 CO -0.31 -0.49 0.42 0.82 0.00 0.00 0.00 179.25 179.69 2oel h ILE 403 N -0.01 1.06 -0.46 0.00 1.08 -0.94 0.53 117.51 118.77 2oel h ILE 403 Ca 0.04 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2oel h ILE 403 Cb 0.07 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 33.97 2oel h ILE 403 CO -0.09 0.15 0.10 0.44 -0.69 0.00 0.00 178.15 178.06 2oel h ASP 404 N 0.81 0.64 0.48 1.72 3.32 -1.17 1.03 116.42 123.25 2oel h ASP 404 Ca 0.29 -0.10 -0.30 0.00 0.02 0.00 0.00 57.03 56.94 2oel h ASP 404 Cb 0.08 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 39.47 2oel h ASP 404 CO -0.13 0.64 -1.38 -0.09 -1.72 0.00 0.00 179.24 176.55 2oel h ARG 405 N 0.67 0.35 0.00 3.56 2.43 -0.90 -3.40 114.38 117.09 2oel h ARG 405 Ca 0.15 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2oel h ARG 405 Cb 0.26 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2oel h ARG 405 CO -0.00 1.27 -0.10 0.91 -1.51 0.00 0.00 179.97 180.53 2oel n TRP 406 N -3.57 0.00 -3.44 2.20 8.01 0.12 -5.11 117.44 115.65 2oel n TRP 406 Ca -0.13 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.06 2oel n TRP 406 Cb 1.05 -0.00 -0.00 0.00 -2.01 0.00 0.00 31.31 30.35 2oel n TRP 406 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2oel n GLY 407 N 1.06 -2.08 3.06 6.99 0.00 0.35 -4.93 105.19 109.64 2oel n GLY 407 Ca 0.00 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.36 2oel n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oel s VAL 408 N -0.16 1.14 -0.10 1.61 1.01 -1.26 -4.06 120.40 118.57 2oel s VAL 408 Ca 0.00 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 2oel s VAL 408 Cb 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 36.38 35.33 2oel s VAL 408 CO 0.00 0.34 0.44 -0.69 0.00 0.00 0.00 175.10 175.20 2oel s VAL 409 N 0.27 5.17 0.17 2.92 1.01 -0.60 -5.04 120.40 124.30 2oel s VAL 409 Ca -0.07 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.50 2oel s VAL 409 Cb -0.12 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 2oel s VAL 409 CO 0.02 0.38 1.38 -0.70 0.00 0.00 0.00 175.10 176.17 2oel s GLU 410 N 0.31 4.33 -0.01 2.72 2.56 -1.26 -4.72 118.70 122.63 2oel s GLU 410 Ca 0.24 2.12 0.15 0.00 0.00 0.00 0.00 54.97 57.49 2oel s GLU 410 Cb -0.15 -3.20 -0.20 0.00 2.00 0.00 0.00 34.13 32.58 2oel s GLU 410 CO 0.10 -0.37 0.53 1.33 -0.56 0.00 0.00 175.26 176.29 2oel n VAL 411 N 3.17 0.00 -2.02 3.70 0.24 -1.26 -4.94 118.33 117.22 2oel n VAL 411 Ca 0.09 -0.23 -0.42 0.00 -2.04 0.00 0.00 64.34 61.75 2oel n VAL 411 Cb 0.42 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.43 2oel n VAL 411 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2oel s GLU 412 N -2.69 4.26 0.00 7.34 2.12 -1.26 -5.04 118.70 123.44 2oel s GLU 412 Ca 0.01 2.28 0.30 0.00 0.36 0.00 0.00 54.97 57.92 2oel s GLU 412 Cb 0.11 -3.15 1.79 0.00 0.26 0.00 0.00 34.13 33.14 2oel s GLU 412 CO 0.64 -0.47 2.12 0.00 -0.54 0.00 0.00 175.26 177.00