#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ioe s ALA 5 N 0.00 3.35 -0.27 0.55 0.00 -1.26 -4.93 121.76 119.20 3ioe s ALA 5 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3ioe s ALA 5 Cb 0.00 -3.30 0.08 0.00 0.00 0.00 0.00 23.12 19.90 3ioe s ALA 5 CO 0.00 -0.11 0.01 0.12 0.00 0.00 0.00 175.76 175.79 3ioe s PHE 6 N -1.24 2.26 -0.47 0.00 5.36 -1.26 -5.03 117.98 117.60 3ioe s PHE 6 Ca 0.46 -1.84 -0.24 0.00 -0.96 0.00 0.00 56.93 54.35 3ioe s PHE 6 Cb -0.30 -1.76 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 3ioe s PHE 6 CO 0.38 -0.81 0.84 -1.01 -1.46 0.00 0.00 175.22 173.16 3ioe s HIS 7 N 1.43 2.95 0.80 10.12 3.76 -1.26 -5.06 115.29 128.04 3ioe s HIS 7 Ca 0.02 0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 55.01 3ioe s HIS 7 Cb -0.18 -3.80 0.07 0.00 1.11 0.00 0.00 32.58 29.78 3ioe s HIS 7 CO -0.12 -1.06 1.09 -1.25 -0.85 0.00 0.00 174.74 172.55 3ioe s PRO 8 N 3.49 2.01 0.00 8.40 0.04 -1.26 -2.81 135.00 144.88 3ioe s PRO 8 Ca 0.32 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3ioe s PRO 8 Cb -0.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3ioe s PRO 8 CO 0.23 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.96 3ioe n GLY 9 N -1.59 0.30 3.34 0.56 0.00 -1.26 -4.98 105.19 101.56 3ioe n GLY 9 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 3ioe n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ioe s GLU 10 N -0.89 1.31 -0.13 1.61 2.02 -1.12 -5.06 118.70 116.43 3ioe s GLU 10 Ca 0.00 -1.56 -0.28 0.00 0.02 0.00 0.00 54.97 53.14 3ioe s GLU 10 Cb 0.00 -1.10 -0.01 0.00 0.10 0.00 0.00 34.13 33.11 3ioe s GLU 10 CO 0.00 0.18 0.95 -1.17 0.02 0.00 0.00 175.26 175.25 3ioe s LEU 11 N -3.25 4.22 -0.21 1.80 2.96 -1.24 -4.26 118.68 118.68 3ioe s LEU 11 Ca 0.21 1.41 -0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3ioe s LEU 11 Cb -0.01 -3.45 -0.01 0.00 0.50 0.00 0.00 46.19 43.22 3ioe s LEU 11 CO 0.06 -0.45 -0.06 0.20 -1.32 0.00 0.00 176.35 174.79 3ioe s ASN 12 N 1.11 4.24 -0.22 3.68 0.01 0.47 -4.98 114.94 119.25 3ioe s ASN 12 Ca 0.45 -0.39 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 3ioe s ASN 12 Cb -0.17 -1.72 -0.03 0.00 0.41 0.00 0.00 41.25 39.74 3ioe s ASN 12 CO 0.15 0.00 0.05 -0.69 -1.51 0.00 0.00 177.10 175.11 3ioe s VAL 13 N 1.35 4.33 -0.06 1.60 1.01 -1.26 -1.33 120.40 126.04 3ioe s VAL 13 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.90 3ioe s VAL 13 Cb -0.14 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3ioe s VAL 13 CO -0.03 0.38 -0.23 -0.31 0.00 0.00 0.00 175.10 174.92 3ioe s TYR 14 N 1.21 2.25 -0.25 5.22 2.02 -0.79 -5.00 117.35 122.02 3ioe s TYR 14 Ca 0.04 -0.71 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 3ioe s TYR 14 Cb -0.14 -1.49 -0.16 0.00 -0.40 0.00 0.00 41.96 39.77 3ioe s TYR 14 CO 0.03 -0.23 -0.22 0.43 -1.57 0.00 0.00 175.55 173.99 3ioe n SER 15 N 3.10 2.09 -4.68 2.29 7.64 -1.26 -0.91 113.62 121.89 3ioe n SER 15 Ca -0.18 -0.12 -0.42 0.00 1.01 0.00 0.00 58.87 59.15 3ioe n SER 15 Cb 0.52 -0.39 -0.03 0.00 -1.01 0.00 0.00 64.21 63.30 3ioe n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ioe s ALA 16 N -2.49 3.59 0.28 -0.43 0.00 -1.26 -3.96 121.76 117.49 3ioe s ALA 16 Ca -0.33 0.79 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3ioe s ALA 16 Cb 0.09 -3.61 0.58 0.00 0.00 0.00 0.00 23.12 20.17 3ioe s ALA 16 CO 0.57 -1.02 1.80 -1.35 0.00 0.00 0.00 175.76 175.76 3ioe h PRO 17 N 8.12 0.79 -0.85 0.00 0.11 -1.92 0.19 132.00 138.44 3ioe h PRO 17 Ca -0.36 -0.05 0.09 0.00 0.11 0.00 0.00 66.00 65.80 3ioe h PRO 17 Cb 1.16 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 3ioe h PRO 17 CO 0.92 0.53 0.55 0.78 -0.21 0.00 0.00 178.00 180.57 3ioe h GLY 18 N 0.82 1.18 0.76 -0.55 0.00 -1.97 -0.71 103.07 102.60 3ioe h GLY 18 Ca 0.50 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.48 3ioe h GLY 18 CO -0.32 0.20 0.01 -0.55 0.00 0.00 0.00 176.54 175.87 3ioe h ASP 19 N 0.83 0.14 0.58 0.19 3.32 -1.35 -1.53 116.42 118.60 3ioe h ASP 19 Ca 0.39 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 3ioe h ASP 19 Cb 0.41 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 3ioe h ASP 19 CO -0.16 0.40 -0.52 1.62 -1.72 0.00 0.00 179.24 178.86 3ioe h VAL 20 N -0.12 1.32 -0.25 -1.35 3.04 -1.28 -2.43 116.25 115.18 3ioe h VAL 20 Ca 0.02 -1.82 -0.02 0.00 -1.01 0.00 0.00 66.70 63.88 3ioe h VAL 20 Cb 0.32 1.99 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 3ioe h VAL 20 CO 0.00 0.51 0.08 0.00 -1.01 0.00 0.00 177.57 177.15 3ioe h ALA 21 N 1.48 0.33 -0.33 3.17 0.00 -1.08 -0.31 119.26 122.51 3ioe h ALA 21 Ca -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3ioe h ALA 21 Cb 0.95 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3ioe h ALA 21 CO 0.07 -0.04 0.14 -0.44 0.00 0.00 0.00 179.25 178.98 3ioe h ASP 22 N 0.24 0.45 -0.18 0.00 3.32 -1.18 -1.48 116.42 117.59 3ioe h ASP 22 Ca 0.08 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 3ioe h ASP 22 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3ioe h ASP 22 CO -0.00 0.48 -0.00 0.58 -1.72 0.00 0.00 179.24 178.58 3ioe h VAL 23 N 0.39 1.26 -0.10 -1.35 2.07 -1.43 0.49 116.25 117.57 3ioe h VAL 23 Ca 0.11 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 66.81 3ioe h VAL 23 Cb 0.16 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 3ioe h VAL 23 CO -0.01 0.26 -0.14 -1.28 0.02 0.00 0.00 177.57 176.41 3ioe h SER 24 N 0.07 -0.44 -0.06 0.57 0.87 -0.96 0.10 113.55 113.69 3ioe h SER 24 Ca 0.05 0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3ioe h SER 24 Cb 0.39 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3ioe h SER 24 CO 0.01 -0.19 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.03 3ioe h ARG 25 N -0.19 0.02 -0.50 2.24 2.43 -1.21 -0.02 114.38 117.15 3ioe h ARG 25 Ca 0.08 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.33 3ioe h ARG 25 Cb 0.31 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 3ioe h ARG 25 CO -0.22 0.01 0.15 0.00 -1.51 0.00 0.00 179.97 178.41 3ioe h ALA 26 N 1.05 0.59 -0.45 2.80 0.00 -0.53 -1.37 119.26 121.36 3ioe h ALA 26 Ca 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3ioe h ALA 26 Cb 0.03 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ioe h ALA 26 CO -0.05 -0.25 0.20 -0.07 0.00 0.00 0.00 179.25 179.07 3ioe h LEU 27 N 0.31 0.61 -0.98 0.00 3.38 -0.35 -2.61 115.31 115.67 3ioe h LEU 27 Ca 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ioe h LEU 27 Cb 0.29 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3ioe h LEU 27 CO -0.28 0.59 0.46 -0.09 0.09 0.00 0.00 178.44 179.21 3ioe h ARG 28 N 0.58 1.18 -0.32 1.13 2.43 -0.44 -1.84 114.38 117.10 3ioe h ARG 28 Ca 0.15 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3ioe h ARG 28 Cb 0.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3ioe h ARG 28 CO -0.02 0.86 0.04 -0.07 -1.51 0.00 0.00 179.97 179.27 3ioe h LEU 29 N 1.18 0.43 -0.02 3.80 3.38 -0.91 -2.32 115.31 120.86 3ioe h LEU 29 Ca 0.30 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3ioe h LEU 29 Cb 0.03 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3ioe h LEU 29 CO -0.05 0.47 0.00 0.35 0.09 0.00 0.00 178.44 179.31 3ioe n THR 30 N -4.33 0.00 0.00 0.22 -2.24 -0.72 -4.89 114.28 102.33 3ioe n THR 30 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 3ioe n THR 30 Cb 0.21 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3ioe n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ioe n GLY 31 N 0.92 1.62 3.76 3.38 0.00 -0.87 -5.09 105.19 108.91 3ioe n GLY 31 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3ioe n GLY 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ioe s ARG 32 N -0.09 4.48 -0.08 1.61 1.81 -1.04 -4.97 118.95 120.67 3ioe s ARG 32 Ca 0.00 2.03 -0.18 0.00 -1.72 0.00 0.00 55.73 55.87 3ioe s ARG 32 Cb 0.00 -3.13 -0.05 0.00 -0.45 0.00 0.00 34.95 31.33 3ioe s ARG 32 CO 0.00 -0.01 0.47 1.03 -0.68 0.00 0.00 175.30 176.10 3ioe s ARG 33 N -1.59 4.25 -0.24 3.54 0.52 -0.68 -3.97 118.95 120.78 3ioe s ARG 33 Ca 0.47 0.46 -0.16 0.00 -0.52 0.00 0.00 55.73 55.98 3ioe s ARG 33 Cb -0.36 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.69 3ioe s ARG 33 CO 0.47 0.30 0.40 0.08 0.02 0.00 0.00 175.30 176.57 3ioe s VAL 34 N 0.16 5.17 -0.16 3.52 1.01 -1.26 -0.17 120.40 128.67 3ioe s VAL 34 Ca 0.26 0.66 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 3ioe s VAL 34 Cb -0.16 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3ioe s VAL 34 CO 0.11 0.19 0.07 -0.04 0.00 0.00 0.00 175.10 175.43 3ioe s MET 35 N 1.78 3.73 -0.12 2.72 1.00 0.50 -0.59 119.30 128.32 3ioe s MET 35 Ca 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 55.69 55.56 3ioe s MET 35 Cb -0.15 -3.15 -0.01 0.00 0.00 0.00 0.00 34.83 31.52 3ioe s MET 35 CO 0.09 0.43 -0.15 -1.17 0.00 0.00 0.00 175.02 174.22 3ioe s LEU 36 N -0.08 2.59 -0.37 -0.03 2.96 -0.53 -0.42 118.68 122.80 3ioe s LEU 36 Ca 0.07 -0.37 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3ioe s LEU 36 Cb -0.12 -1.57 0.11 0.00 0.50 0.00 0.00 46.19 45.11 3ioe s LEU 36 CO 0.01 0.17 0.10 -0.69 -1.32 0.00 0.00 176.35 174.62 3ioe s VAL 37 N 0.30 2.08 0.04 1.68 1.01 0.26 -1.21 120.40 124.55 3ioe s VAL 37 Ca -0.12 -2.37 -0.30 0.00 0.00 0.00 0.00 61.98 59.19 3ioe s VAL 37 Cb -0.16 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3ioe s VAL 37 CO 0.06 -0.66 1.04 -2.84 0.00 0.00 0.00 175.10 172.70 3ioe s PRO 38 N 0.79 4.55 0.16 2.72 0.02 -1.26 -1.85 135.00 140.14 3ioe s PRO 38 Ca 0.12 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.66 3ioe s PRO 38 Cb -0.20 -3.41 -0.04 0.00 0.02 0.00 0.00 34.50 30.87 3ioe s PRO 38 CO -0.09 -0.06 0.07 0.95 -0.33 0.00 0.00 177.00 177.55 3ioe s THR 39 N 0.81 0.16 -0.31 0.99 -4.23 -0.26 -4.93 115.64 107.86 3ioe s THR 39 Ca 0.53 -1.95 0.09 0.00 -1.18 0.00 0.00 61.69 59.18 3ioe s THR 39 Cb -0.24 -2.22 0.57 0.00 1.34 0.00 0.00 72.50 71.94 3ioe s THR 39 CO 0.29 -0.30 1.58 0.23 -0.54 0.00 0.00 174.62 175.88 3ioe n MET 40 N -0.18 2.26 0.00 3.99 2.81 -1.26 -1.84 117.12 122.89 3ioe n MET 40 Ca -0.03 -3.09 0.00 0.00 -1.81 0.00 0.00 57.70 52.77 3ioe n MET 40 Cb 0.64 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3ioe n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3ioe n GLY 41 N -0.95 -0.31 3.41 3.03 0.00 -1.26 -4.62 105.19 104.49 3ioe n GLY 41 Ca 0.37 -1.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.19 3ioe n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioe n ALA 42 N 1.40 -2.10 -1.76 4.61 0.00 -1.26 -4.89 120.51 116.51 3ioe n ALA 42 Ca 0.00 -0.03 -0.40 0.00 0.00 0.00 0.00 53.44 53.01 3ioe n ALA 42 Cb 0.00 -2.97 -0.04 0.00 0.00 0.00 0.00 19.45 16.44 3ioe n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ioe s LEU 43 N -6.21 4.49 0.00 0.00 1.43 -1.26 -4.79 118.68 112.34 3ioe s LEU 43 Ca 0.08 2.24 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 3ioe s LEU 43 Cb -0.01 -3.71 -0.00 0.00 0.03 0.00 0.00 46.19 42.49 3ioe s LEU 43 CO 0.73 -0.21 0.04 0.00 0.23 0.00 0.00 176.35 177.14 3ioe n HIS 44 N 0.98 0.03 0.25 0.29 1.44 -1.26 -4.92 115.22 112.03 3ioe n HIS 44 Ca -0.00 -0.62 0.12 0.00 -2.01 0.00 0.00 57.72 55.21 3ioe n HIS 44 Cb 0.45 -0.00 0.64 0.00 0.12 0.00 0.00 29.99 31.21 3ioe n HIS 44 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 3ioe h GLU 45 N 0.00 0.00 0.11 -1.40 4.57 -1.98 -1.98 114.58 113.90 3ioe h GLU 45 Ca -0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 3ioe h GLU 45 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3ioe h GLU 45 CO 0.12 0.15 -0.08 0.78 -1.18 0.00 0.00 179.01 178.80 3ioe h GLY 46 N 1.39 -0.18 1.19 1.92 0.00 -1.92 -1.63 103.07 103.85 3ioe h GLY 46 Ca -0.00 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.44 3ioe h GLY 46 CO 0.02 -0.08 0.48 0.45 0.00 0.00 0.00 176.54 177.41 3ioe h HIS 47 N -0.19 0.86 0.00 5.60 3.86 -1.80 -2.86 115.15 120.63 3ioe h HIS 47 Ca -0.01 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 3ioe h HIS 47 Cb 0.16 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 3ioe h HIS 47 CO -0.09 0.51 -0.18 -0.07 0.86 0.00 0.00 177.93 178.96 3ioe h LEU 48 N 0.90 0.00 -0.60 2.43 3.38 -1.11 -1.97 115.31 118.35 3ioe h LEU 48 Ca 0.29 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 3ioe h LEU 48 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3ioe h LEU 48 CO -0.08 0.18 -0.38 0.00 0.09 0.00 0.00 178.44 178.25 3ioe h ALA 49 N 1.82 0.78 -0.19 1.53 0.00 -1.06 -0.31 119.26 121.83 3ioe h ALA 49 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3ioe h ALA 49 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3ioe h ALA 49 CO 0.02 0.65 0.12 -0.07 0.00 0.00 0.00 179.25 179.98 3ioe h LEU 50 N 0.57 0.22 -0.57 0.00 3.38 -1.40 -0.36 115.31 117.14 3ioe h LEU 50 Ca 0.05 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3ioe h LEU 50 Cb 0.91 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3ioe h LEU 50 CO 0.08 0.18 0.35 0.58 0.09 0.00 0.00 178.44 179.72 3ioe h VAL 51 N 0.24 1.08 -0.42 1.22 2.07 -1.15 -1.25 116.25 118.04 3ioe h VAL 51 Ca 0.07 -0.24 -0.14 0.00 0.82 0.00 0.00 66.70 67.21 3ioe h VAL 51 Cb -0.01 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 3ioe h VAL 51 CO -0.01 0.13 -0.30 0.03 0.02 0.00 0.00 177.57 177.43 3ioe h ARG 52 N 0.69 0.92 -0.95 1.57 3.08 -0.78 0.16 114.38 119.08 3ioe h ARG 52 Ca 0.22 -0.43 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3ioe h ARG 52 Cb 0.00 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3ioe h ARG 52 CO -0.09 1.09 0.58 0.00 -1.07 0.00 0.00 179.97 180.48 3ioe h ALA 53 N 0.87 1.24 -0.54 0.04 0.00 -0.90 -1.33 119.26 118.65 3ioe h ALA 53 Ca 0.08 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3ioe h ALA 53 Cb 0.87 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ioe h ALA 53 CO 0.08 0.66 -0.04 0.00 0.00 0.00 0.00 179.25 179.95 3ioe h ALA 54 N 1.34 0.74 -0.02 0.00 0.00 -0.91 -3.31 119.26 117.11 3ioe h ALA 54 Ca 0.34 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ioe h ALA 54 Cb -0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ioe h ALA 54 CO -0.07 0.59 -0.50 -0.22 0.00 0.00 0.00 179.25 179.06 3ioe h LYS 55 N 0.86 0.04 0.00 0.00 3.64 0.26 -2.86 116.57 118.50 3ioe h LYS 55 Ca 0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3ioe h LYS 55 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3ioe h LYS 55 CO 0.04 0.53 0.00 2.89 -2.27 0.00 0.00 179.45 180.64 3ioe n ARG 56 N -3.95 0.08 -2.03 1.90 1.85 -0.59 -4.75 116.66 109.17 3ioe n ARG 56 Ca -0.02 0.10 -0.42 0.00 -1.00 0.00 0.00 57.85 56.51 3ioe n ARG 56 Cb 0.52 -1.60 -0.03 0.00 -1.05 0.00 0.00 32.46 30.30 3ioe n ARG 56 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3ioe s VAL 57 N -3.04 3.55 0.21 8.89 1.01 -1.08 -4.91 120.40 125.03 3ioe s VAL 57 Ca 0.12 0.73 -0.32 0.00 0.00 0.00 0.00 61.98 62.52 3ioe s VAL 57 Cb 0.16 -3.47 -0.12 0.00 0.00 0.00 0.00 36.38 32.95 3ioe s VAL 57 CO 0.52 -0.05 1.72 -2.84 0.00 0.00 0.00 175.10 174.44 3ioe s PRO 58 N 3.72 4.12 -0.49 2.72 0.02 -1.26 -2.03 135.00 141.80 3ioe s PRO 58 Ca 0.72 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.36 3ioe s PRO 58 Cb -0.34 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 31.12 3ioe s PRO 58 CO 0.29 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 3ioe n GLY 59 N 3.88 0.72 3.87 0.52 0.00 -1.26 -4.78 105.19 108.15 3ioe n GLY 59 Ca 0.16 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3ioe n GLY 59 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ioe s SER 60 N -2.63 6.52 -0.06 1.61 1.04 -0.86 -1.69 113.70 117.63 3ioe s SER 60 Ca 0.00 1.22 0.05 0.00 0.48 0.00 0.00 55.95 57.70 3ioe s SER 60 Cb 0.00 -2.36 -0.02 0.00 0.10 0.00 0.00 66.02 63.74 3ioe s SER 60 CO 0.00 -0.46 -0.19 0.54 0.98 0.00 0.00 173.24 174.11 3ioe s VAL 61 N -2.46 2.58 -0.19 5.02 0.11 0.76 -4.83 120.40 121.39 3ioe s VAL 61 Ca 0.53 -0.89 -0.06 0.00 -2.93 0.00 0.00 61.98 58.63 3ioe s VAL 61 Cb -0.10 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.73 3ioe s VAL 61 CO 0.33 0.57 0.04 -0.69 -3.33 0.00 0.00 175.10 172.02 3ioe s VAL 62 N -0.40 4.43 -0.21 2.04 1.01 -1.26 -0.37 120.40 125.63 3ioe s VAL 62 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 3ioe s VAL 62 Cb -0.12 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 3ioe s VAL 62 CO 0.02 0.44 -0.02 -0.69 0.00 0.00 0.00 175.10 174.85 3ioe s VAL 63 N 0.66 3.69 -0.24 2.92 1.01 0.44 -1.97 120.40 126.90 3ioe s VAL 63 Ca 0.02 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.55 3ioe s VAL 63 Cb -0.14 -2.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 3ioe s VAL 63 CO 0.02 0.42 0.00 -0.69 0.00 0.00 0.00 175.10 174.85 3ioe s VAL 64 N 1.30 3.68 0.05 2.92 1.01 0.04 -0.57 120.40 128.83 3ioe s VAL 64 Ca 0.04 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.42 3ioe s VAL 64 Cb -0.14 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.45 3ioe s VAL 64 CO -0.00 0.36 0.48 -0.94 0.00 0.00 0.00 175.10 175.00 3ioe s SER 65 N 1.52 6.89 -0.21 3.32 1.04 -0.77 -0.69 113.70 124.80 3ioe s SER 65 Ca 0.05 1.07 0.01 0.00 0.48 0.00 0.00 55.95 57.56 3ioe s SER 65 Cb -0.15 -2.29 0.05 0.00 0.10 0.00 0.00 66.02 63.73 3ioe s SER 65 CO -0.01 0.27 -0.07 -0.63 0.98 0.00 0.00 173.24 173.79 3ioe s ILE 66 N -1.15 1.50 -0.27 -1.02 1.01 0.15 -1.10 121.20 120.32 3ioe s ILE 66 Ca 0.28 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 3ioe s ILE 66 Cb -0.17 -1.68 0.11 0.00 0.01 0.00 0.00 42.46 40.73 3ioe s ILE 66 CO 0.16 0.03 0.58 0.12 0.00 0.00 0.00 174.94 175.83 3ioe s PHE 67 N 1.44 -1.15 -0.61 3.97 5.36 -0.77 -4.14 117.98 122.08 3ioe s PHE 67 Ca -0.03 2.06 -0.21 0.00 -0.96 0.00 0.00 56.93 57.79 3ioe s PHE 67 Cb -0.17 0.64 0.08 0.00 -0.34 0.00 0.00 43.02 43.22 3ioe s PHE 67 CO -0.07 -0.60 0.83 0.08 -1.46 0.00 0.00 175.22 174.00 3ioe s VAL 68 N 2.70 4.57 -0.48 3.12 1.01 -1.26 -4.24 120.40 125.82 3ioe s VAL 68 Ca -0.05 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3ioe s VAL 68 Cb -0.11 -4.56 0.02 0.00 0.00 0.00 0.00 36.38 31.73 3ioe s VAL 68 CO -0.17 -1.24 1.22 0.21 0.00 0.00 0.00 175.10 175.12 3ioe s ASN 69 N 3.49 6.52 0.55 3.32 2.47 -1.26 -4.90 114.94 125.12 3ioe s ASN 69 Ca 0.18 0.49 0.26 0.00 0.42 0.00 0.00 52.86 54.21 3ioe s ASN 69 Cb -0.20 -2.55 1.57 0.00 -1.45 0.00 0.00 41.25 38.63 3ioe s ASN 69 CO 0.10 -1.35 2.16 -0.65 -3.72 0.00 0.00 177.10 173.64 3ioe h PRO 70 N 9.69 0.00 0.00 0.43 0.11 -1.96 -2.91 132.00 137.36 3ioe h PRO 70 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3ioe h PRO 70 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ioe h PRO 70 CO 1.13 0.06 -0.07 1.98 -0.21 0.00 0.00 178.00 180.89 3ioe h MET 71 N 0.00 0.00 -0.28 1.05 4.05 -1.90 -2.72 114.93 115.13 3ioe h MET 71 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 3ioe h MET 71 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3ioe h MET 71 CO 0.01 0.07 0.00 0.00 0.23 0.00 0.00 176.91 177.22 3ioe n GLN 72 N -3.26 2.19 -3.89 0.39 10.64 -1.10 -4.14 117.38 118.21 3ioe n GLN 72 Ca -0.00 -1.79 -0.35 0.00 -1.83 0.00 0.00 57.00 53.02 3ioe n GLN 72 Cb 0.29 -1.46 -0.05 0.00 -0.86 0.00 0.00 30.24 28.15 3ioe n GLN 72 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3ioe s PHE 73 N -1.64 3.57 0.69 2.61 0.40 -1.03 -4.72 117.98 117.87 3ioe s PHE 73 Ca 0.35 0.44 -0.06 0.00 -0.60 0.00 0.00 56.93 57.07 3ioe s PHE 73 Cb 0.20 -1.88 0.06 0.00 0.51 0.00 0.00 43.02 41.91 3ioe s PHE 73 CO 0.29 0.69 1.00 0.20 0.70 0.00 0.00 175.22 178.11 3ioe s GLY 74 N -1.47 1.69 0.74 4.36 0.00 -1.26 -5.00 107.32 106.37 3ioe s GLY 74 Ca 0.21 -0.94 -0.12 0.00 0.00 0.00 0.00 44.72 43.87 3ioe s GLY 74 CO 0.11 -0.54 1.11 0.00 0.00 0.00 0.00 173.10 173.78 3ioe s ALA 75 N -3.21 2.28 0.00 3.20 0.00 -1.26 -4.33 121.76 118.44 3ioe s ALA 75 Ca 0.60 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3ioe s ALA 75 Cb -0.11 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.70 3ioe s ALA 75 CO 0.44 -1.65 0.32 0.41 0.00 0.00 0.00 175.76 175.28 3ioe n GLY 76 N -0.77 -0.88 0.00 0.00 0.00 -1.26 -4.75 105.19 97.53 3ioe n GLY 76 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3ioe n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ioe n GLY 77 N 0.82 0.84 0.23 -0.02 0.00 -1.26 -4.77 105.19 101.03 3ioe n GLY 77 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 3ioe n GLY 77 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ioe h ASP 78 N 0.00 0.61 -0.22 1.61 3.32 -1.86 -3.19 116.42 116.69 3ioe h ASP 78 Ca 0.00 -0.27 0.01 0.00 0.02 0.00 0.00 57.03 56.80 3ioe h ASP 78 Cb 0.00 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3ioe h ASP 78 CO 0.00 0.94 0.10 0.25 -1.72 0.00 0.00 179.24 178.81 3ioe h LEU 79 N 0.48 0.15 -1.40 1.55 5.85 -1.86 -1.83 115.31 118.25 3ioe h LEU 79 Ca 0.04 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ioe h LEU 79 Cb 0.90 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3ioe h LEU 79 CO 0.08 0.12 -0.21 0.44 -0.34 0.00 0.00 178.44 178.53 3ioe h ASP 80 N 0.23 0.00 0.99 1.25 3.32 -1.91 -3.00 116.42 117.29 3ioe h ASP 80 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3ioe h ASP 80 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3ioe h ASP 80 CO -0.07 0.21 -0.39 0.00 -1.72 0.00 0.00 179.24 177.28 3ioe n ALA 81 N -2.26 2.78 -1.92 3.45 0.00 -0.97 -4.89 120.51 116.69 3ioe n ALA 81 Ca -0.01 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3ioe n ALA 81 Cb 0.37 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 3ioe n ALA 81 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3ioe s TYR 82 N -3.11 3.09 0.26 0.00 5.04 -0.73 -4.95 117.35 116.95 3ioe s TYR 82 Ca 0.09 1.05 -0.29 0.00 -2.44 0.00 0.00 57.07 55.47 3ioe s TYR 82 Cb 0.14 -3.77 -0.09 0.00 0.35 0.00 0.00 41.96 38.59 3ioe s TYR 82 CO 0.67 -2.50 1.21 -1.25 -1.34 0.00 0.00 175.55 172.34 3ioe s PRO 83 N -0.15 4.49 -0.20 4.97 0.04 -1.26 -5.02 135.00 137.88 3ioe s PRO 83 Ca 0.60 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.61 3ioe s PRO 83 Cb -0.40 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.02 3ioe s PRO 83 CO 0.41 -0.04 -0.06 1.03 0.04 0.00 0.00 177.00 178.38 3ioe s ARG 84 N -1.06 1.57 -0.42 4.56 0.52 -1.26 -4.42 118.95 118.45 3ioe s ARG 84 Ca 0.50 -0.72 0.10 0.00 -0.52 0.00 0.00 55.73 55.08 3ioe s ARG 84 Cb -0.35 -2.28 0.33 0.00 0.52 0.00 0.00 34.95 33.17 3ioe s ARG 84 CO 0.43 -0.50 0.73 0.25 0.02 0.00 0.00 175.30 176.23 3ioe n THR 85 N 4.78 0.33 0.18 0.02 -2.24 -1.26 -5.00 114.28 111.09 3ioe n THR 85 Ca -0.12 -4.67 0.02 0.00 -2.27 0.00 0.00 64.05 57.01 3ioe n THR 85 Cb 0.46 -0.79 0.32 0.00 -2.10 0.00 0.00 70.33 68.22 3ioe n THR 85 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3ioe h PRO 86 N 3.21 0.00 0.03 -0.78 0.11 -1.98 -1.04 132.00 131.55 3ioe h PRO 86 Ca 0.10 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 3ioe h PRO 86 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ioe h PRO 86 CO 0.55 0.43 -0.01 -0.44 -0.21 0.00 0.00 178.00 178.32 3ioe h ASP 87 N 0.00 -0.03 0.05 -2.05 3.32 -2.00 -1.12 116.42 114.60 3ioe h ASP 87 Ca -0.00 -0.14 0.01 0.00 0.02 0.00 0.00 57.03 56.92 3ioe h ASP 87 Cb 0.79 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 3ioe h ASP 87 CO 0.06 0.11 -0.11 0.44 -1.72 0.00 0.00 179.24 178.02 3ioe h ASP 88 N -0.18 -0.29 -0.37 6.45 3.32 -1.95 -2.66 116.42 120.73 3ioe h ASP 88 Ca -0.00 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.13 3ioe h ASP 88 Cb 0.17 0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.75 3ioe h ASP 88 CO 0.01 -0.16 -0.53 0.44 -1.72 0.00 0.00 179.24 177.28 3ioe h ASP 89 N -0.21 -1.76 -0.60 6.45 3.32 -1.03 0.74 116.42 123.33 3ioe h ASP 89 Ca 0.02 0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.29 3ioe h ASP 89 Cb 0.23 0.73 -0.03 0.00 0.22 0.00 0.00 39.33 40.48 3ioe h ASP 89 CO -0.07 -0.41 0.33 -0.07 -1.72 0.00 0.00 179.24 177.30 3ioe h LEU 90 N -0.41 0.76 -0.34 1.55 3.38 -1.24 -1.66 115.31 117.36 3ioe h LEU 90 Ca 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3ioe h LEU 90 Cb 0.61 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3ioe h LEU 90 CO -0.57 0.63 0.18 0.00 0.09 0.00 0.00 178.44 178.76 3ioe h ALA 91 N 1.50 0.44 -0.88 1.53 0.00 -1.03 -0.40 119.26 120.42 3ioe h ALA 91 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3ioe h ALA 91 Cb 0.04 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 3ioe h ALA 91 CO -0.03 -0.02 0.58 1.96 0.00 0.00 0.00 179.25 181.73 3ioe h GLN 92 N 0.42 1.11 -0.16 0.00 4.20 -0.34 0.20 115.11 120.55 3ioe h GLN 92 Ca 0.12 -0.07 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 3ioe h GLN 92 Cb 0.08 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 27.61 3ioe h GLN 92 CO -0.02 0.73 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.53 3ioe h LEU 93 N 1.14 0.52 -0.38 1.46 3.38 -1.06 -1.97 115.31 118.41 3ioe h LEU 93 Ca 0.33 -0.54 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3ioe h LEU 93 Cb -0.06 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 3ioe h LEU 93 CO -0.09 0.96 -0.01 0.03 0.09 0.00 0.00 178.44 179.43 3ioe h ARG 94 N 0.09 0.09 0.00 1.13 3.08 -0.94 -1.67 114.38 116.16 3ioe h ARG 94 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ioe h ARG 94 Cb 0.87 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.90 3ioe h ARG 94 CO 0.06 0.06 0.00 0.00 -1.07 0.00 0.00 179.97 179.02 3ioe h ALA 95 N 1.34 1.00 -0.01 0.04 0.00 -0.78 -2.03 119.26 118.82 3ioe h ALA 95 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3ioe h ALA 95 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3ioe h ALA 95 CO -0.32 0.00 -0.37 0.39 0.00 0.00 0.00 179.25 178.95 3ioe n GLU 96 N -2.92 1.12 -1.50 0.00 -0.58 -0.68 -4.96 120.64 111.13 3ioe n GLU 96 Ca -0.02 -0.85 -0.12 0.00 -0.42 0.00 0.00 57.16 55.76 3ioe n GLU 96 Cb 0.10 -1.48 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 3ioe n GLU 96 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ioe n GLY 97 N 1.38 1.03 3.75 0.62 0.00 -0.76 -5.00 105.19 106.20 3ioe n GLY 97 Ca 0.11 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3ioe n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ioe s VAL 98 N -2.46 2.24 -0.16 1.61 1.01 -0.98 -4.95 120.40 116.71 3ioe s VAL 98 Ca 0.00 0.20 0.22 0.00 0.00 0.00 0.00 61.98 62.39 3ioe s VAL 98 Cb 0.00 -3.13 -0.13 0.00 0.00 0.00 0.00 36.38 33.12 3ioe s VAL 98 CO 0.00 0.03 0.81 -0.62 0.00 0.00 0.00 175.10 175.32 3ioe n GLU 99 N 2.40 0.63 -3.89 2.72 1.02 -1.24 -3.74 120.64 118.54 3ioe n GLU 99 Ca 0.08 0.03 -0.21 0.00 -0.02 0.00 0.00 57.16 57.04 3ioe n GLU 99 Cb 0.38 -1.72 -0.17 0.00 -0.02 0.00 0.00 31.44 29.91 3ioe n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3ioe s ILE 100 N -3.34 0.39 -0.15 -3.67 1.01 -0.83 -0.40 121.20 114.21 3ioe s ILE 100 Ca -0.03 0.06 -0.04 0.00 0.00 0.00 0.00 60.65 60.63 3ioe s ILE 100 Cb 0.11 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 3ioe s ILE 100 CO 0.83 0.23 -0.02 0.00 0.00 0.00 0.00 174.94 175.98 3ioe s ALA 101 N 1.56 3.08 -0.25 9.38 0.00 -0.44 -0.78 121.76 134.32 3ioe s ALA 101 Ca -0.01 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 3ioe s ALA 101 Cb -0.13 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.42 3ioe s ALA 101 CO -0.03 0.26 -0.03 0.12 0.00 0.00 0.00 175.76 176.08 3ioe s PHE 102 N 0.18 3.04 -0.56 0.00 5.36 0.13 -1.88 117.98 124.26 3ioe s PHE 102 Ca -0.01 -1.28 0.07 0.00 -0.96 0.00 0.00 56.93 54.75 3ioe s PHE 102 Cb -0.13 -2.10 0.25 0.00 -0.34 0.00 0.00 43.02 40.69 3ioe s PHE 102 CO 0.02 -0.65 0.68 0.25 -1.46 0.00 0.00 175.22 174.06 3ioe n THR 103 N 4.74 1.44 -2.13 0.12 -2.24 -0.08 -0.67 114.28 115.46 3ioe n THR 103 Ca -0.17 -4.86 -0.34 0.00 -2.27 0.00 0.00 64.05 56.42 3ioe n THR 103 Cb 0.48 -2.06 0.01 0.00 -2.10 0.00 0.00 70.33 66.67 3ioe n THR 103 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3ioe s PRO 104 N -2.09 3.27 0.60 -0.78 0.04 -1.25 -4.42 135.00 130.36 3ioe s PRO 104 Ca 0.38 1.44 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 3ioe s PRO 104 Cb 0.15 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 3ioe s PRO 104 CO -0.04 -0.89 1.02 0.95 0.04 0.00 0.00 177.00 178.09 3ioe s THR 105 N -2.08 4.58 0.23 1.26 -4.23 -1.26 -4.90 115.64 109.23 3ioe s THR 105 Ca 0.69 0.93 -0.07 0.00 -1.18 0.00 0.00 61.69 62.06 3ioe s THR 105 Cb -0.20 -3.78 0.21 0.00 1.34 0.00 0.00 72.50 70.07 3ioe s THR 105 CO 0.32 -1.00 1.87 0.74 -0.54 0.00 0.00 174.62 176.00 3ioe h THR 106 N -0.06 1.25 -0.74 3.99 2.02 -1.96 -2.48 112.91 114.92 3ioe h THR 106 Ca -0.45 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 3ioe h THR 106 Cb 1.19 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3ioe h THR 106 CO 0.61 0.27 0.42 0.00 0.37 0.00 0.00 175.52 177.19 3ioe h ALA 107 N 1.28 1.34 0.00 6.16 0.00 -1.94 0.21 119.26 126.30 3ioe h ALA 107 Ca 0.32 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 3ioe h ALA 107 Cb -0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3ioe h ALA 107 CO -0.06 0.55 -0.46 0.00 0.00 0.00 0.00 179.25 179.29 3ioe h ALA 108 N 1.43 0.95 0.04 0.00 0.00 -1.86 -2.46 119.26 117.36 3ioe h ALA 108 Ca 0.26 -0.41 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 3ioe h ALA 108 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3ioe h ALA 108 CO -0.04 0.57 -1.77 0.52 0.00 0.00 0.00 179.25 178.53 3ioe h MET 109 N 0.00 0.09 -1.74 0.00 2.86 -0.99 -3.40 114.93 111.74 3ioe h MET 109 Ca -0.00 -0.15 -0.51 0.00 -2.06 0.00 0.00 59.70 56.97 3ioe h MET 109 Cb 1.00 0.06 -0.41 0.00 0.06 0.00 0.00 31.60 32.31 3ioe h MET 109 CO 0.06 0.73 -0.92 0.66 1.06 0.00 0.00 176.91 178.51 3ioe n TYR 110 N -3.19 2.35 0.26 -0.22 4.01 0.68 -4.89 117.16 116.16 3ioe n TYR 110 Ca -0.21 -3.47 0.14 0.00 -0.16 0.00 0.00 57.90 54.21 3ioe n TYR 110 Cb 1.05 -0.34 0.66 0.00 -0.31 0.00 0.00 39.34 40.40 3ioe n TYR 110 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3ioe h PRO 111 N 2.88 0.00 -0.35 -0.72 0.13 -1.64 -2.07 132.00 130.23 3ioe h PRO 111 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3ioe h PRO 111 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3ioe h PRO 111 CO 0.68 0.11 0.00 -0.25 -0.23 0.00 0.00 178.00 178.31 3ioe n ASP 112 N -3.33 3.99 0.00 1.44 8.00 -1.26 -5.09 116.55 120.31 3ioe n ASP 112 Ca -0.00 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.75 3ioe n ASP 112 Cb 0.31 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3ioe n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ioe n GLY 113 N -0.01 1.56 3.46 0.44 0.00 -0.78 -4.31 105.19 105.55 3ioe n GLY 113 Ca 0.21 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 3ioe n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ioe s LEU 114 N 0.00 4.59 0.00 0.99 1.43 -1.26 -4.85 118.68 119.58 3ioe s LEU 114 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3ioe s LEU 114 Cb 0.00 -2.53 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3ioe s LEU 114 CO 0.00 -1.18 0.00 -1.14 0.23 0.00 0.00 176.35 174.26 3ioe n ARG 115 N 7.03 0.00 -2.71 1.70 0.63 -1.26 -5.00 116.66 117.04 3ioe n ARG 115 Ca -0.04 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.48 3ioe n ARG 115 Cb 0.46 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.32 3ioe n ARG 115 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ioe s THR 116 N 0.30 4.49 0.19 5.15 2.01 -1.26 -5.04 115.64 121.47 3ioe s THR 116 Ca 0.00 2.04 -0.00 0.00 0.31 0.00 0.00 61.69 64.04 3ioe s THR 116 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.16 3ioe s THR 116 CO 0.00 0.30 0.08 0.42 -0.69 0.00 0.00 174.62 174.73 3ioe s THR 117 N 0.08 0.27 -0.06 -0.82 -4.23 -1.26 -5.13 115.64 104.49 3ioe s THR 117 Ca 0.48 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.80 3ioe s THR 117 Cb -0.24 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 3ioe s THR 117 CO 0.30 -0.21 0.63 -0.69 -0.54 0.00 0.00 174.62 174.11 3ioe s VAL 118 N -3.95 5.03 -0.36 2.29 1.01 -1.26 -5.06 120.40 118.09 3ioe s VAL 118 Ca 0.32 1.30 -0.12 0.00 0.00 0.00 0.00 61.98 63.48 3ioe s VAL 118 Cb 0.07 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3ioe s VAL 118 CO 0.08 0.31 0.22 -1.58 0.00 0.00 0.00 175.10 174.13 3ioe s GLN 119 N 0.47 3.06 0.85 2.72 0.74 -1.26 -4.64 119.66 121.60 3ioe s GLN 119 Ca 0.34 -0.93 -0.11 0.00 0.05 0.00 0.00 55.36 54.71 3ioe s GLN 119 Cb -0.17 -3.76 0.10 0.00 1.10 0.00 0.00 33.01 30.28 3ioe s GLN 119 CO 0.16 -0.61 1.09 -2.14 -0.55 0.00 0.00 175.29 173.24 3ioe s PRO 120 N 1.62 1.64 1.44 1.67 0.02 -1.26 -5.06 135.00 135.07 3ioe s PRO 120 Ca 0.04 1.01 -0.24 0.00 0.02 0.00 0.00 61.00 61.83 3ioe s PRO 120 Cb -0.18 -1.84 0.37 0.00 0.02 0.00 0.00 34.50 32.87 3ioe s PRO 120 CO 0.08 -2.03 0.93 0.20 -0.33 0.00 0.00 177.00 175.85 3ioe s GLY 121 N -3.36 1.41 0.59 0.52 0.00 -1.26 -4.86 107.32 100.36 3ioe s GLY 121 Ca 0.63 -0.92 0.32 0.00 0.00 0.00 0.00 44.72 44.76 3ioe s GLY 121 CO 0.57 0.13 2.23 -2.55 0.00 0.00 0.00 173.10 173.48 3ioe h PRO 122 N -3.48 0.00 -0.63 2.90 0.11 -2.02 -1.86 132.00 127.01 3ioe h PRO 122 Ca -0.41 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.83 3ioe h PRO 122 Cb 1.34 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.41 3ioe h PRO 122 CO 0.25 0.03 0.43 1.25 -0.21 0.00 0.00 178.00 179.75 3ioe h LEU 123 N 0.00 0.30 -1.38 2.35 5.85 -1.95 -0.16 115.31 120.33 3ioe h LEU 123 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ioe h LEU 123 Cb 0.09 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3ioe h LEU 123 CO 0.00 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.27 3ioe h ALA 124 N 1.69 1.00 -0.00 1.25 0.00 -1.67 -1.51 119.26 120.02 3ioe h ALA 124 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3ioe h ALA 124 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3ioe h ALA 124 CO -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 179.25 179.04 3ioe n ALA 125 N -1.90 2.80 -2.67 0.00 0.00 -0.07 -3.97 120.51 114.69 3ioe n ALA 125 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 52.92 3ioe n ALA 125 Cb 0.19 -1.30 -0.07 0.00 0.00 0.00 0.00 19.45 18.27 3ioe n ALA 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3ioe s GLU 126 N -2.47 2.41 5.26 0.00 2.02 -0.57 -2.85 118.70 122.50 3ioe s GLU 126 Ca 0.28 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 53.99 3ioe s GLU 126 Cb 0.20 -2.27 0.00 0.00 0.10 0.00 0.00 34.13 32.16 3ioe s GLU 126 CO 0.48 0.39 0.00 1.28 0.02 0.00 0.00 175.26 177.43 3ioe n LEU 127 N -0.72 0.00 0.23 1.80 4.77 -1.26 -0.78 117.00 121.05 3ioe n LEU 127 Ca -0.08 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 55.99 3ioe n LEU 127 Cb 0.58 0.00 0.55 0.00 -2.33 0.00 0.00 43.42 42.22 3ioe n LEU 127 CO 0.40 0.00 0.87 -0.33 -1.33 0.00 0.00 177.39 177.00 3ioe h GLU 128 N 0.00 0.00 0.00 3.23 4.39 -1.92 -2.75 114.58 117.53 3ioe h GLU 128 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3ioe h GLU 128 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ioe h GLU 128 CO 0.00 0.22 0.00 0.78 -1.16 0.00 0.00 179.01 178.85 3ioe h GLY 129 N 1.02 0.00 0.40 -3.84 0.00 -1.08 -3.32 103.07 96.24 3ioe h GLY 129 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3ioe h GLY 129 CO 0.03 0.00 -0.43 -1.33 0.00 0.00 0.00 176.54 174.81 3ioe h GLY 130 N 3.13 -1.18 2.00 4.60 0.00 -1.33 -2.41 103.07 107.88 3ioe h GLY 130 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.89 3ioe h GLY 130 CO 0.00 -0.35 0.00 -0.56 0.00 0.00 0.00 176.54 175.63 3ioe h PRO 131 N -0.84 0.00 -2.12 4.80 0.13 -1.80 -3.39 132.00 128.79 3ioe h PRO 131 Ca -0.05 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.50 3ioe h PRO 131 Cb 0.73 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.46 3ioe h PRO 131 CO -0.07 0.00 -0.92 0.54 -0.23 0.00 0.00 178.00 177.32 3ioe n ARG 132 N -2.84 1.31 0.02 0.86 1.74 -0.97 -4.98 116.66 111.80 3ioe n ARG 132 Ca 0.01 -3.73 0.09 0.00 -0.77 0.00 0.00 57.85 53.45 3ioe n ARG 132 Cb 0.31 -1.61 0.38 0.00 -1.02 0.00 0.00 32.46 30.52 3ioe n ARG 132 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ioe n PRO 133 N 1.33 0.03 -0.04 5.56 -0.04 -0.95 -2.02 135.00 138.87 3ioe n PRO 133 Ca 0.24 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 64.04 3ioe n PRO 133 Cb 0.48 -1.55 0.11 0.00 -0.04 0.00 0.00 33.50 32.50 3ioe n PRO 133 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3ioe n THR 134 N -1.60 0.12 0.28 0.52 -2.24 -1.26 -4.71 114.28 105.38 3ioe n THR 134 Ca 0.04 -0.56 -0.16 0.00 -2.27 0.00 0.00 64.05 61.10 3ioe n THR 134 Cb 0.21 1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 3ioe n THR 134 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3ioe h HIS 135 N 3.88 -0.62 0.00 4.78 6.17 -1.69 -2.78 115.15 124.88 3ioe h HIS 135 Ca 0.00 -0.01 -0.07 0.00 0.71 0.00 0.00 60.37 61.00 3ioe h HIS 135 Cb 0.84 0.21 -0.01 0.00 2.52 0.00 0.00 27.41 30.97 3ioe h HIS 135 CO 0.05 -0.37 -0.32 0.74 0.71 0.00 0.00 177.93 178.73 3ioe h PHE 136 N -0.70 0.00 -1.01 5.26 0.04 -1.84 -2.04 116.94 116.66 3ioe h PHE 136 Ca -0.07 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.75 3ioe h PHE 136 Cb 0.53 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.62 3ioe h PHE 136 CO -0.04 0.32 0.66 0.00 -0.60 0.00 0.00 178.31 178.66 3ioe h ALA 137 N 1.68 1.35 -0.20 2.45 0.00 -1.80 -0.46 119.26 122.27 3ioe h ALA 137 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3ioe h ALA 137 Cb 1.04 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3ioe h ALA 137 CO 0.04 0.54 0.10 0.78 0.00 0.00 0.00 179.25 180.71 3ioe h GLY 138 N 1.26 0.31 0.89 0.00 0.00 -1.10 -0.79 103.07 103.64 3ioe h GLY 138 Ca 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 3ioe h GLY 138 CO -0.14 0.15 -0.16 -2.08 0.00 0.00 0.00 176.54 174.31 3ioe h VAL 139 N 0.20 0.70 -0.31 4.60 2.07 -1.14 -2.26 116.25 120.10 3ioe h VAL 139 Ca 0.07 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 3ioe h VAL 139 Cb 0.11 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3ioe h VAL 139 CO -0.01 0.04 -0.18 -0.07 0.02 0.00 0.00 177.57 177.37 3ioe h LEU 140 N -0.55 0.56 0.03 2.57 3.38 -1.10 0.74 115.31 120.95 3ioe h LEU 140 Ca -0.04 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.76 3ioe h LEU 140 Cb 0.41 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3ioe h LEU 140 CO 0.07 0.75 -0.07 0.74 0.09 0.00 0.00 178.44 180.02 3ioe h THR 141 N 0.51 0.82 -0.20 0.22 2.02 -1.13 -0.15 112.91 115.01 3ioe h THR 141 Ca 0.08 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.14 3ioe h THR 141 Cb 0.60 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3ioe h THR 141 CO 0.04 0.00 -0.39 1.62 0.37 0.00 0.00 175.52 177.16 3ioe h VAL 142 N -0.14 1.30 -0.24 3.16 3.04 -1.12 -2.30 116.25 119.95 3ioe h VAL 142 Ca 0.02 -1.52 -0.07 0.00 -1.01 0.00 0.00 66.70 64.12 3ioe h VAL 142 Cb 0.16 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.01 3ioe h VAL 142 CO -0.05 0.47 -0.11 0.58 -1.01 0.00 0.00 177.57 177.46 3ioe h VAL 143 N 0.37 1.30 -0.38 1.51 2.07 -0.77 0.09 116.25 120.44 3ioe h VAL 143 Ca 0.04 -1.17 0.08 0.00 0.82 0.00 0.00 66.70 66.47 3ioe h VAL 143 Cb 0.85 1.56 -0.08 0.00 -1.52 0.00 0.00 31.29 32.10 3ioe h VAL 143 CO 0.07 0.36 -0.21 0.25 0.02 0.00 0.00 177.57 178.06 3ioe h LEU 144 N 0.21 -0.71 -0.91 2.57 5.85 -0.96 -0.18 115.31 121.18 3ioe h LEU 144 Ca 0.05 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3ioe h LEU 144 Cb 0.60 0.37 -0.04 0.00 0.37 0.00 0.00 40.66 41.96 3ioe h LEU 144 CO 0.03 -0.24 0.54 0.11 -0.34 0.00 0.00 178.44 178.54 3ioe h LYS 145 N -0.15 1.24 -0.44 1.25 1.57 -1.03 -1.45 116.57 117.56 3ioe h LYS 145 Ca 0.19 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3ioe h LYS 145 Cb 0.44 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3ioe h LYS 145 CO -0.47 0.87 0.15 -0.07 -0.57 0.00 0.00 179.45 179.36 3ioe h LEU 146 N 1.26 0.63 -1.42 2.94 3.38 -0.44 0.29 115.31 121.95 3ioe h LEU 146 Ca 0.33 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3ioe h LEU 146 Cb -0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3ioe h LEU 146 CO -0.06 0.65 0.22 -0.07 0.09 0.00 0.00 178.44 179.27 3ioe h LEU 147 N 0.57 0.55 -0.16 1.67 3.38 -0.72 0.47 115.31 121.07 3ioe h LEU 147 Ca 0.14 -0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 3ioe h LEU 147 Cb 0.24 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3ioe h LEU 147 CO -0.01 0.47 -0.82 1.56 0.09 0.00 0.00 178.44 179.73 3ioe h GLN 148 N 0.62 0.75 0.09 1.13 1.08 -0.66 0.32 115.11 118.45 3ioe h GLN 148 Ca 0.16 -0.64 -0.00 0.00 -1.45 0.00 0.00 58.65 56.71 3ioe h GLN 148 Cb 0.06 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3ioe h GLN 148 CO -0.02 1.24 -0.05 0.82 -0.95 0.00 0.00 178.83 179.88 3ioe h ILE 149 N 0.50 1.09 0.00 2.54 2.04 -0.75 -3.34 117.51 119.59 3ioe h ILE 149 Ca -0.06 -0.72 -0.25 0.00 1.00 0.00 0.00 64.86 64.83 3ioe h ILE 149 Cb 1.45 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 3ioe h ILE 149 CO 0.16 0.17 -1.42 0.58 0.00 0.00 0.00 178.15 177.65 3ioe h VAL 150 N -0.46 1.06 -6.75 1.67 2.07 -0.99 -3.36 116.25 109.50 3ioe h VAL 150 Ca -0.01 -2.82 -0.56 0.00 0.82 0.00 0.00 66.70 64.13 3ioe h VAL 150 Cb 0.38 2.50 0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3ioe h VAL 150 CO 0.02 0.61 -0.99 -1.14 0.02 0.00 0.00 177.57 176.08 3ioe n ARG 151 N -3.13 -0.53 -2.05 1.57 3.00 0.11 -4.80 116.66 110.84 3ioe n ARG 151 Ca -0.10 0.18 -0.32 0.00 -0.00 0.00 0.00 57.85 57.60 3ioe n ARG 151 Cb 0.98 -2.97 0.00 0.00 0.00 0.00 0.00 32.46 30.47 3ioe n ARG 151 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ioe s PRO 152 N -7.06 3.55 0.17 -0.14 0.04 -1.26 -4.88 135.00 125.42 3ioe s PRO 152 Ca 0.48 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 3ioe s PRO 152 Cb -0.24 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.27 3ioe s PRO 152 CO 0.94 -0.61 1.55 -0.44 0.04 0.00 0.00 177.00 178.49 3ioe h ASP 153 N 0.24 0.97 -4.98 6.66 3.32 -1.16 -3.43 116.42 118.04 3ioe h ASP 153 Ca -0.46 -0.38 -0.17 0.00 0.02 0.00 0.00 57.03 56.04 3ioe h ASP 153 Cb 1.20 -0.27 -0.21 0.00 0.22 0.00 0.00 39.33 40.27 3ioe h ASP 153 CO 0.60 1.16 -0.70 -0.13 -1.72 0.00 0.00 179.24 178.45 3ioe s ARG 154 N -4.61 0.33 -0.03 3.56 0.52 -1.21 -1.73 118.95 115.78 3ioe s ARG 154 Ca -0.11 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3ioe s ARG 154 Cb 0.12 0.09 -0.00 0.00 0.52 0.00 0.00 34.95 35.68 3ioe s ARG 154 CO 0.87 -0.05 -0.16 0.54 0.02 0.00 0.00 175.30 176.52 3ioe s VAL 155 N -1.54 1.36 -0.13 3.52 0.11 -0.29 -1.45 120.40 121.97 3ioe s VAL 155 Ca -0.15 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3ioe s VAL 155 Cb -0.09 -1.16 -0.03 0.00 -1.53 0.00 0.00 36.38 33.57 3ioe s VAL 155 CO -0.01 0.39 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.73 3ioe s PHE 156 N -0.05 2.97 0.03 1.54 0.40 -0.35 -1.08 117.98 121.44 3ioe s PHE 156 Ca -0.01 -0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3ioe s PHE 156 Cb -0.10 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.52 3ioe s PHE 156 CO 0.01 -0.00 -0.08 -0.06 0.70 0.00 0.00 175.22 175.79 3ioe s PHE 157 N 0.15 0.73 0.46 0.36 0.08 -0.42 -4.24 117.98 115.10 3ioe s PHE 157 Ca -0.03 -0.38 -0.20 0.00 0.12 0.00 0.00 56.93 56.44 3ioe s PHE 157 Cb -0.14 -0.44 -0.10 0.00 -0.57 0.00 0.00 43.02 41.78 3ioe s PHE 157 CO 0.03 -0.04 0.99 0.20 -0.10 0.00 0.00 175.22 176.30 3ioe s GLY 158 N -1.20 2.42 0.34 4.36 0.00 -1.26 -0.27 107.32 111.70 3ioe s GLY 158 Ca -0.05 0.47 0.26 0.00 0.00 0.00 0.00 44.72 45.40 3ioe s GLY 158 CO 0.00 0.76 1.79 0.83 0.00 0.00 0.00 173.10 176.49 3ioe h GLU 159 N 1.70 0.00 -0.27 2.90 5.08 -1.30 -3.27 114.58 119.42 3ioe h GLU 159 Ca -0.49 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3ioe h GLU 159 Cb 1.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.39 3ioe h GLU 159 CO 0.60 0.00 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.27 3ioe h LYS 160 N 0.00 -0.08 -3.62 2.33 3.11 -1.92 -2.32 116.57 114.06 3ioe h LYS 160 Ca 0.00 0.01 -0.79 0.00 -2.81 0.00 0.00 60.65 57.06 3ioe h LYS 160 Cb 0.36 0.02 -0.25 0.00 -1.00 0.00 0.00 32.23 31.37 3ioe h LYS 160 CO 0.00 -0.05 0.89 -0.25 -2.81 0.00 0.00 179.45 177.22 3ioe n ASP 161 N -5.29 5.65 -0.07 4.20 8.00 -1.23 -4.60 116.55 123.20 3ioe n ASP 161 Ca -0.00 -3.13 -0.15 0.00 0.71 0.00 0.00 54.79 52.22 3ioe n ASP 161 Cb 0.21 -1.40 -0.05 0.00 -0.02 0.00 0.00 41.12 39.86 3ioe n ASP 161 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3ioe h TYR 162 N 6.33 0.99 -0.60 1.24 3.20 -1.63 -1.68 116.97 124.82 3ioe h TYR 162 Ca 0.24 -0.36 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 3ioe h TYR 162 Cb 0.78 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3ioe h TYR 162 CO 0.94 1.16 0.19 0.37 -1.64 0.00 0.00 178.16 179.18 3ioe h GLN 163 N 0.54 0.91 -0.70 1.82 4.15 -1.88 -0.40 115.11 119.54 3ioe h GLN 163 Ca 0.01 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.19 3ioe h GLN 163 Cb 1.10 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 28.62 3ioe h GLN 163 CO 0.11 0.78 0.18 0.37 -1.93 0.00 0.00 178.83 178.35 3ioe h GLN 164 N 0.88 1.10 -0.03 1.69 4.15 -1.82 -0.79 115.11 120.29 3ioe h GLN 164 Ca 0.20 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ioe h GLN 164 Cb 0.26 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.79 3ioe h GLN 164 CO -0.01 0.96 0.02 1.25 -1.93 0.00 0.00 178.83 179.12 3ioe h LEU 165 N 1.05 0.04 -0.34 -2.39 5.85 -0.76 -0.78 115.31 117.99 3ioe h LEU 165 Ca 0.22 -0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3ioe h LEU 165 Cb 0.34 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3ioe h LEU 165 CO -0.00 0.11 -0.03 0.58 -0.34 0.00 0.00 178.44 178.75 3ioe h VAL 166 N -0.03 0.71 -0.09 1.05 2.07 -0.84 -1.07 116.25 118.05 3ioe h VAL 166 Ca 0.01 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3ioe h VAL 166 Cb 0.07 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3ioe h VAL 166 CO -0.00 0.01 -0.19 -0.07 0.02 0.00 0.00 177.57 177.33 3ioe h LEU 167 N 0.05 0.14 -0.36 2.57 3.38 -0.96 -0.99 115.31 119.14 3ioe h LEU 167 Ca 0.16 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3ioe h LEU 167 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ioe h LEU 167 CO -0.30 0.35 -0.06 0.40 0.09 0.00 0.00 178.44 178.92 3ioe h ILE 168 N 0.14 1.27 -0.83 1.22 2.04 -0.49 0.65 117.51 121.50 3ioe h ILE 168 Ca 0.03 -1.10 0.09 0.00 1.00 0.00 0.00 64.86 64.88 3ioe h ILE 168 Cb 0.43 1.26 -0.06 0.00 -0.74 0.00 0.00 36.82 37.71 3ioe h ILE 168 CO 0.03 0.36 0.54 0.03 0.00 0.00 0.00 178.15 179.12 3ioe h ARG 169 N 0.47 0.78 -0.08 2.37 3.08 -0.82 -0.55 114.38 119.64 3ioe h ARG 169 Ca 0.09 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3ioe h ARG 169 Cb 0.55 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ioe h ARG 169 CO 0.03 0.52 -0.02 1.96 -1.07 0.00 0.00 179.97 181.39 3ioe h GLN 170 N 0.80 0.16 -0.54 0.04 4.20 -0.54 -1.52 115.11 117.71 3ioe h GLN 170 Ca 0.38 -0.06 0.11 0.00 0.06 0.00 0.00 58.65 59.14 3ioe h GLN 170 Cb 0.42 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.08 3ioe h GLN 170 CO -0.15 0.47 -0.21 1.25 -0.67 0.00 0.00 178.83 179.52 3ioe h LEU 171 N -0.17 -0.73 -0.40 1.46 5.85 -0.49 0.44 115.31 121.28 3ioe h LEU 171 Ca 0.02 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3ioe h LEU 171 Cb 0.41 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 3ioe h LEU 171 CO 0.01 -0.24 0.02 0.58 -0.34 0.00 0.00 178.44 178.47 3ioe h VAL 172 N -0.08 1.25 -0.10 1.05 2.07 -1.00 -1.68 116.25 117.77 3ioe h VAL 172 Ca 0.25 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 3ioe h VAL 172 Cb 0.47 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3ioe h VAL 172 CO -0.60 0.33 0.04 0.00 0.02 0.00 0.00 177.57 177.36 3ioe h ALA 173 N 0.90 0.13 -0.04 1.67 0.00 -0.95 -0.48 119.26 120.48 3ioe h ALA 173 Ca 0.12 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3ioe h ALA 173 Cb 0.44 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3ioe h ALA 173 CO 0.02 -0.30 -0.48 -0.44 0.00 0.00 0.00 179.25 178.05 3ioe h ASP 174 N 0.02 0.12 -0.59 0.00 3.32 -0.83 -2.79 116.42 115.67 3ioe h ASP 174 Ca 0.03 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3ioe h ASP 174 Cb 0.14 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3ioe h ASP 174 CO -0.00 0.58 0.00 0.49 -1.72 0.00 0.00 179.24 178.59 3ioe n PHE 175 N -3.97 0.79 -3.82 4.55 3.72 -0.64 -4.97 117.46 113.12 3ioe n PHE 175 Ca -0.02 -0.50 -0.29 0.00 -0.05 0.00 0.00 57.45 56.59 3ioe n PHE 175 Cb 0.51 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 39.07 3ioe n PHE 175 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3ioe n ASN 176 N 1.23 -5.10 -4.75 4.37 4.13 -0.99 -4.91 115.26 109.24 3ioe n ASN 176 Ca 0.20 -0.71 -0.41 0.00 1.68 0.00 0.00 54.58 55.34 3ioe n ASN 176 Cb 0.55 -4.06 -0.03 0.00 -1.54 0.00 0.00 39.78 34.70 3ioe n ASN 176 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3ioe s LEU 177 N -7.25 4.45 -1.30 3.41 1.43 -0.22 -4.92 118.68 114.28 3ioe s LEU 177 Ca 0.64 2.40 -0.09 0.00 -1.03 0.00 0.00 54.13 56.05 3ioe s LEU 177 Cb -0.31 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.44 3ioe s LEU 177 CO 0.79 -0.44 1.98 -0.67 0.23 0.00 0.00 176.35 178.24 3ioe n ASP 178 N 2.06 5.55 -3.76 2.29 2.03 -1.26 -4.86 116.55 118.60 3ioe n ASP 178 Ca 0.04 -3.10 -0.13 0.00 0.52 0.00 0.00 54.79 52.11 3ioe n ASP 178 Cb 0.43 -1.46 -0.10 0.00 -0.72 0.00 0.00 41.12 39.27 3ioe n ASP 178 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3ioe s VAL 179 N 0.23 0.02 -0.12 5.18 0.11 -1.26 -4.81 120.40 119.75 3ioe s VAL 179 Ca 0.42 -0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.10 3ioe s VAL 179 Cb 0.11 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 3ioe s VAL 179 CO -0.01 -0.11 0.43 0.00 -3.33 0.00 0.00 175.10 172.08 3ioe s ALA 180 N -0.47 3.51 -0.26 1.54 0.00 -0.71 -4.97 121.76 120.41 3ioe s ALA 180 Ca -0.06 -0.25 -0.18 0.00 0.00 0.00 0.00 51.96 51.47 3ioe s ALA 180 Cb -0.04 -2.58 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 3ioe s ALA 180 CO 0.02 0.04 0.52 0.08 0.00 0.00 0.00 175.76 176.42 3ioe s VAL 181 N 0.54 5.06 -0.28 0.00 1.01 -1.26 -1.14 120.40 124.34 3ioe s VAL 181 Ca 0.24 0.89 -0.07 0.00 0.00 0.00 0.00 61.98 63.04 3ioe s VAL 181 Cb -0.15 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.39 3ioe s VAL 181 CO 0.09 0.08 0.07 -0.69 0.00 0.00 0.00 175.10 174.65 3ioe s VAL 182 N 2.32 4.04 0.00 2.92 1.01 -0.24 -4.97 120.40 125.48 3ioe s VAL 182 Ca 0.21 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 3ioe s VAL 182 Cb -0.16 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 3ioe s VAL 182 CO 0.09 0.19 0.70 -0.83 0.00 0.00 0.00 175.10 175.24 3ioe s GLY 183 N 1.54 2.69 -0.10 4.51 0.00 -1.26 -1.30 107.32 113.40 3ioe s GLY 183 Ca 0.04 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.94 3ioe s GLY 183 CO 0.02 1.01 -0.12 0.14 0.00 0.00 0.00 173.10 174.15 3ioe s VAL 184 N 0.11 3.20 0.54 1.40 1.01 0.62 -4.90 120.40 122.38 3ioe s VAL 184 Ca 0.36 -0.63 -0.21 0.00 0.00 0.00 0.00 61.98 61.49 3ioe s VAL 184 Cb -0.19 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.81 3ioe s VAL 184 CO 0.20 0.55 1.25 -2.65 0.00 0.00 0.00 175.10 174.45 3ioe n PRO 185 N 3.05 1.52 -1.70 2.72 -0.02 -1.26 -0.86 135.00 138.45 3ioe n PRO 185 Ca -0.18 0.56 -0.44 0.00 -2.02 0.00 0.00 63.50 61.43 3ioe n PRO 185 Cb 0.53 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3ioe n PRO 185 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3ioe n THR 186 N -1.09 0.07 -3.22 3.45 -1.04 -1.26 -4.76 114.28 106.43 3ioe n THR 186 Ca 0.11 -0.01 -0.39 0.00 -2.04 0.00 0.00 64.05 61.72 3ioe n THR 186 Cb 0.44 -1.84 -0.06 0.00 -1.82 0.00 0.00 70.33 67.06 3ioe n THR 186 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3ioe s VAL 187 N 1.37 4.98 0.12 12.58 1.01 -1.26 -5.02 120.40 134.19 3ioe s VAL 187 Ca 0.78 1.19 0.11 0.00 0.00 0.00 0.00 61.98 64.06 3ioe s VAL 187 Cb -0.57 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 3ioe s VAL 187 CO 0.35 0.39 -0.26 -0.13 0.00 0.00 0.00 175.10 175.45 3ioe s ARG 188 N 0.03 1.47 1.14 2.72 0.52 -1.26 -1.44 118.95 122.14 3ioe s ARG 188 Ca 0.30 -1.31 -0.14 0.00 -0.52 0.00 0.00 55.73 54.06 3ioe s ARG 188 Cb -0.17 -1.93 0.27 0.00 0.52 0.00 0.00 34.95 33.63 3ioe s ARG 188 CO 0.16 0.46 1.04 -1.21 0.02 0.00 0.00 175.30 175.77 3ioe s GLU 189 N -2.02 -0.75 0.41 3.54 0.41 0.68 -4.85 118.70 116.11 3ioe s GLU 189 Ca 0.14 0.58 0.14 0.00 -0.41 0.00 0.00 54.97 55.42 3ioe s GLU 189 Cb -0.10 -1.59 0.98 0.00 -1.78 0.00 0.00 34.13 31.64 3ioe s GLU 189 CO 0.06 -3.55 1.91 0.00 -0.49 0.00 0.00 175.26 173.20 3ioe h ALA 190 N -2.48 2.03 -0.01 5.21 0.00 -2.01 -0.47 119.26 121.52 3ioe h ALA 190 Ca -0.58 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3ioe h ALA 190 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3ioe h ALA 190 CO 0.51 -0.23 -0.10 -0.40 0.00 0.00 0.00 179.25 179.02 3ioe n ASP 191 N -4.50 0.71 0.00 0.00 5.75 -1.26 -4.94 116.55 112.31 3ioe n ASP 191 Ca 0.15 -0.86 0.00 0.00 -0.01 0.00 0.00 54.79 54.07 3ioe n ASP 191 Cb 0.50 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 3ioe n ASP 191 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ioe n GLY 192 N 1.24 2.27 3.68 6.12 0.00 -0.19 -4.87 105.19 113.44 3ioe n GLY 192 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3ioe n GLY 192 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ioe n LEU 193 N 0.00 3.88 -4.72 0.99 7.94 -1.26 -4.56 117.00 119.27 3ioe n LEU 193 Ca 0.00 0.97 -0.42 0.00 -1.11 0.00 0.00 56.01 55.45 3ioe n LEU 193 Cb 0.00 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.43 3ioe n LEU 193 CO 0.00 0.10 1.29 0.00 -1.11 0.00 0.00 177.39 177.67 3ioe s ALA 194 N 3.39 3.85 0.29 1.96 0.00 -1.26 -0.23 121.76 129.76 3ioe s ALA 194 Ca 0.86 1.47 -0.29 0.00 0.00 0.00 0.00 51.96 54.00 3ioe s ALA 194 Cb -0.53 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 18.83 3ioe s ALA 194 CO 0.42 -0.84 1.42 -1.64 0.00 0.00 0.00 175.76 175.11 3ioe s MET 195 N 1.13 4.26 -0.11 0.00 -1.94 -0.52 -4.87 119.30 117.25 3ioe s MET 195 Ca 0.72 2.33 -0.30 0.00 -1.71 0.00 0.00 55.69 56.73 3ioe s MET 195 Cb -0.46 -3.08 0.09 0.00 2.01 0.00 0.00 34.83 33.39 3ioe s MET 195 CO 0.32 -0.39 0.79 0.45 -0.01 0.00 0.00 175.02 176.18 3ioe s SER 196 N 0.09 -0.58 0.57 3.03 0.15 -1.26 -4.93 113.70 110.76 3ioe s SER 196 Ca 0.56 0.71 0.31 0.00 0.70 0.00 0.00 55.95 58.23 3ioe s SER 196 Cb -0.42 0.58 1.71 0.00 -1.71 0.00 0.00 66.02 66.18 3ioe s SER 196 CO 0.49 -0.48 2.17 0.77 1.20 0.00 0.00 173.24 177.39 3ioe h SER 197 N 3.12 0.00 0.49 5.45 4.64 -1.95 -2.14 113.55 123.16 3ioe h SER 197 Ca -0.25 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.03 3ioe h SER 197 Cb 1.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3ioe h SER 197 CO 0.32 0.06 -0.18 0.03 -0.87 0.00 0.00 176.83 176.19 3ioe h ARG 198 N 0.00 0.00 0.00 4.77 2.47 -1.95 -3.22 114.38 116.46 3ioe h ARG 198 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3ioe h ARG 198 Cb 0.18 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 3ioe h ARG 198 CO 0.01 0.18 -0.08 -0.91 0.56 0.00 0.00 179.97 179.73 3ioe h ASN 199 N 0.00 0.00 0.27 7.04 2.35 -1.76 -1.32 115.58 122.16 3ioe h ASN 199 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ioe h ASN 199 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3ioe h ASN 199 CO 0.02 0.08 0.00 0.08 -1.65 0.00 0.00 177.43 175.96 3ioe h ARG 200 N 0.00 0.00 -0.03 0.81 0.11 -1.76 -2.05 114.38 111.47 3ioe h ARG 200 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3ioe h ARG 200 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 3ioe h ARG 200 CO 0.01 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.74 3ioe n TYR 201 N -2.67 0.02 -3.00 4.08 4.01 -0.50 -4.80 117.16 114.30 3ioe n TYR 201 Ca -0.01 -0.01 -0.41 0.00 -0.16 0.00 0.00 57.90 57.31 3ioe n TYR 201 Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 3ioe n TYR 201 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3ioe s LEU 202 N -1.97 4.07 0.98 7.72 1.43 -0.77 -4.88 118.68 125.26 3ioe s LEU 202 Ca 0.36 0.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 3ioe s LEU 202 Cb 0.21 -3.02 0.18 0.00 0.03 0.00 0.00 46.19 43.58 3ioe s LEU 202 CO 0.33 -0.46 1.10 1.51 0.23 0.00 0.00 176.35 179.06 3ioe s ASP 203 N 1.43 2.83 0.33 2.29 1.47 -1.26 -4.55 116.67 119.20 3ioe s ASP 203 Ca 0.30 1.17 0.11 0.00 1.18 0.00 0.00 52.55 55.31 3ioe s ASP 203 Cb -0.15 -1.82 0.98 0.00 -0.34 0.00 0.00 42.92 41.59 3ioe s ASP 203 CO 0.08 -3.00 1.64 -0.65 0.68 0.00 0.00 175.17 173.93 3ioe h PRO 204 N -1.80 0.23 -0.04 2.11 0.11 -1.98 0.43 132.00 131.07 3ioe h PRO 204 Ca -0.54 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.54 3ioe h PRO 204 Cb 1.33 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3ioe h PRO 204 CO 0.58 0.16 -0.05 0.00 -0.21 0.00 0.00 178.00 178.48 3ioe h ALA 205 N 1.85 0.06 -0.44 -0.75 0.00 -1.99 -1.84 119.26 116.14 3ioe h ALA 205 Ca 0.68 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 3ioe h ALA 205 Cb 1.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 3ioe h ALA 205 CO -0.66 -0.14 0.08 1.96 0.00 0.00 0.00 179.25 180.50 3ioe h GLN 206 N -0.38 0.67 -0.69 0.00 4.20 -1.78 -0.68 115.11 116.45 3ioe h GLN 206 Ca 0.00 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 3ioe h GLN 206 Cb 0.58 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.22 3ioe h GLN 206 CO 0.01 0.63 0.29 -0.09 -0.67 0.00 0.00 178.83 179.01 3ioe h ARG 207 N 0.65 1.03 -0.22 1.46 9.65 -0.15 -1.04 114.38 125.76 3ioe h ARG 207 Ca 0.14 -0.18 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3ioe h ARG 207 Cb 0.29 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 3ioe h ARG 207 CO 0.00 0.84 0.06 0.00 2.80 0.00 0.00 179.97 183.67 3ioe h ALA 208 N 1.13 0.28 0.00 2.80 0.00 -0.62 -3.05 119.26 119.81 3ioe h ALA 208 Ca 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3ioe h ALA 208 Cb 0.19 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 3ioe h ALA 208 CO -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 179.25 179.10 3ioe h ALA 209 N 0.88 1.89 0.00 0.00 0.00 -0.98 -3.23 119.26 117.82 3ioe h ALA 209 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3ioe h ALA 209 Cb 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3ioe h ALA 209 CO -0.00 0.07 -0.15 0.00 0.00 0.00 0.00 179.25 179.16 3ioe h ALA 210 N 1.95 1.26 -0.11 0.00 0.00 -1.07 -1.48 119.26 119.82 3ioe h ALA 210 Ca -0.00 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.80 3ioe h ALA 210 Cb 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3ioe h ALA 210 CO 0.01 0.19 0.22 -0.24 0.00 0.00 0.00 179.25 179.43 3ioe h VAL 211 N 0.00 0.21 0.00 0.00 3.04 -1.68 -2.37 116.25 115.45 3ioe h VAL 211 Ca -0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3ioe h VAL 211 Cb 0.42 0.80 -0.00 0.00 -2.01 0.00 0.00 31.29 30.50 3ioe h VAL 211 CO 0.02 0.00 -0.01 0.00 -1.01 0.00 0.00 177.57 176.57 3ioe h ALA 212 N 1.65 1.90 0.62 3.17 0.00 -1.52 -1.18 119.26 123.90 3ioe h ALA 212 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3ioe h ALA 212 Cb 0.50 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.29 3ioe h ALA 212 CO -0.00 0.01 -0.30 -0.07 0.00 0.00 0.00 179.25 178.89 3ioe h LEU 213 N 0.00 -0.70 -0.40 0.00 4.07 -1.66 -1.02 115.31 115.60 3ioe h LEU 213 Ca -0.00 -0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 3ioe h LEU 213 Cb 0.01 0.18 -0.00 0.00 1.08 0.00 0.00 40.66 41.93 3ioe h LEU 213 CO 0.00 -0.45 -0.45 0.77 -1.08 0.00 0.00 178.44 177.23 3ioe h SER 214 N -0.90 0.94 -0.65 -0.43 4.64 -1.69 -2.43 113.55 113.01 3ioe h SER 214 Ca -0.08 -0.46 0.11 0.00 -0.47 0.00 0.00 61.79 60.89 3ioe h SER 214 Cb 0.66 -0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.40 3ioe h SER 214 CO 0.14 1.24 0.25 0.00 -0.87 0.00 0.00 176.83 177.59 3ioe h ALA 215 N 0.79 0.86 -0.31 5.18 0.00 -1.26 0.02 119.26 124.54 3ioe h ALA 215 Ca 0.04 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3ioe h ALA 215 Cb 1.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ioe h ALA 215 CO 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 179.25 179.14 3ioe h ALA 216 N 1.46 0.42 -0.47 0.00 0.00 -1.04 -1.09 119.26 118.54 3ioe h ALA 216 Ca 0.34 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ioe h ALA 216 Cb 0.45 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3ioe h ALA 216 CO -0.34 0.19 -0.04 -0.07 0.00 0.00 0.00 179.25 178.99 3ioe h LEU 217 N 0.35 0.85 -0.57 0.00 3.38 -1.17 -0.89 115.31 117.26 3ioe h LEU 217 Ca 0.08 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3ioe h LEU 217 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3ioe h LEU 217 CO 0.02 0.98 -0.42 0.71 0.09 0.00 0.00 178.44 179.82 3ioe h THR 218 N 0.71 1.29 -0.00 0.22 1.35 -0.99 0.04 112.91 115.53 3ioe h THR 218 Ca 0.13 -1.60 0.01 0.00 -0.55 0.00 0.00 66.41 64.40 3ioe h THR 218 Cb 0.56 1.53 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3ioe h THR 218 CO 0.03 0.51 -0.07 0.00 -0.25 0.00 0.00 175.52 175.75 3ioe h ALA 219 N 0.98 -0.06 -0.74 6.62 0.00 -1.17 -2.33 119.26 122.56 3ioe h ALA 219 Ca 0.04 0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3ioe h ALA 219 Cb 0.95 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3ioe h ALA 219 CO 0.09 -0.56 0.40 0.00 0.00 0.00 0.00 179.25 179.18 3ioe h ALA 220 N 0.88 1.02 -0.38 0.00 0.00 -1.02 0.18 119.26 119.94 3ioe h ALA 220 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ioe h ALA 220 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3ioe h ALA 220 CO -0.07 0.04 0.21 0.00 0.00 0.00 0.00 179.25 179.43 3ioe h ALA 221 N 1.41 1.66 0.22 0.00 0.00 -0.76 -1.40 119.26 120.39 3ioe h ALA 221 Ca 0.35 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.88 3ioe h ALA 221 Cb 0.30 -0.16 0.03 0.00 0.00 0.00 0.00 17.79 17.96 3ioe h ALA 221 CO -0.23 0.29 -1.43 0.45 0.00 0.00 0.00 179.25 178.33 3ioe h HIS 222 N 0.52 0.85 0.00 0.00 3.86 -0.81 -3.27 115.15 116.30 3ioe h HIS 222 Ca 0.14 -0.62 -0.01 0.00 -1.16 0.00 0.00 60.37 58.72 3ioe h HIS 222 Cb 0.01 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 3ioe h HIS 222 CO 0.00 1.49 -0.02 0.00 0.86 0.00 0.00 177.93 180.26 3ioe h ALA 223 N 0.27 1.05 0.00 2.45 0.00 -0.51 -3.29 119.26 119.24 3ioe h ALA 223 Ca -0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3ioe h ALA 223 Cb 2.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.90 3ioe h ALA 223 CO 0.25 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.53 3ioe n ALA 224 N -2.12 1.47 -0.03 0.00 0.00 -0.54 -0.91 120.51 118.38 3ioe n ALA 224 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3ioe n ALA 224 Cb 0.21 -1.27 0.55 0.00 0.00 0.00 0.00 19.45 18.94 3ioe n ALA 224 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3ioe h THR 225 N 0.00 0.88 -0.11 0.00 1.35 -1.78 -1.12 112.91 112.13 3ioe h THR 225 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 3ioe h THR 225 Cb 0.22 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.20 3ioe h THR 225 CO 0.00 0.05 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 3ioe n ALA 226 N -2.54 2.55 0.00 6.62 0.00 -0.09 -4.02 120.51 123.03 3ioe n ALA 226 Ca 0.08 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3ioe n ALA 226 Cb 0.38 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3ioe n ALA 226 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ioe n GLY 227 N 0.98 1.23 0.14 0.00 0.00 -0.54 -4.57 105.19 102.43 3ioe n GLY 227 Ca 0.14 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 3ioe n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ioe h ALA 228 N 0.00 0.35 -0.74 4.61 0.00 -1.93 -2.16 119.26 119.40 3ioe h ALA 228 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ioe h ALA 228 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ioe h ALA 228 CO 0.00 -0.15 0.48 0.37 0.00 0.00 0.00 179.25 179.96 3ioe h GLN 229 N 0.35 0.96 -0.23 0.00 5.75 -1.98 -1.08 115.11 118.88 3ioe h GLN 229 Ca 0.10 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3ioe h GLN 229 Cb 0.01 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 3ioe h GLN 229 CO -0.02 0.63 0.08 0.00 -2.65 0.00 0.00 178.83 176.88 3ioe h ALA 230 N 1.28 0.30 0.08 3.38 0.00 -1.78 0.02 119.26 122.54 3ioe h ALA 230 Ca 0.27 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3ioe h ALA 230 Cb -0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3ioe h ALA 230 CO -0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 179.25 178.96 3ioe h ALA 231 N 0.92 -0.22 -0.70 0.00 0.00 -0.92 0.87 119.26 119.20 3ioe h ALA 231 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3ioe h ALA 231 Cb 0.21 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3ioe h ALA 231 CO -0.00 -0.65 0.28 -0.07 0.00 0.00 0.00 179.25 178.81 3ioe h LEU 232 N -0.27 0.97 -0.73 0.00 3.38 -1.15 -2.07 115.31 115.44 3ioe h LEU 232 Ca 0.02 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 3ioe h LEU 232 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3ioe h LEU 232 CO -0.07 0.88 -0.46 0.44 0.09 0.00 0.00 178.44 179.31 3ioe h ASP 233 N 1.01 0.42 -0.26 -0.43 3.32 -0.82 -1.13 116.42 118.53 3ioe h ASP 233 Ca 0.24 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3ioe h ASP 233 Cb 0.21 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3ioe h ASP 233 CO -0.02 0.83 0.10 0.00 -1.72 0.00 0.00 179.24 178.43 3ioe h ALA 234 N 1.19 0.33 -0.14 3.45 0.00 -0.62 -1.75 119.26 121.71 3ioe h ALA 234 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3ioe h ALA 234 Cb 0.94 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 3ioe h ALA 234 CO 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 179.25 179.28 3ioe h ALA 235 N 0.94 0.13 -0.64 0.00 0.00 -1.29 -2.82 119.26 115.59 3ioe h ALA 235 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3ioe h ALA 235 Cb 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ioe h ALA 235 CO -0.01 -0.44 0.40 -0.09 0.00 0.00 0.00 179.25 179.11 3ioe h ARG 236 N 0.06 0.85 -0.54 0.00 9.65 -1.13 -1.62 114.38 121.65 3ioe h ARG 236 Ca 0.07 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3ioe h ARG 236 Cb 0.07 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.45 3ioe h ARG 236 CO -0.10 0.59 -0.07 0.00 2.80 0.00 0.00 179.97 183.18 3ioe h ALA 237 N 1.57 0.84 -0.28 2.80 0.00 -1.16 0.45 119.26 123.48 3ioe h ALA 237 Ca 0.23 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3ioe h ALA 237 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3ioe h ALA 237 CO -0.05 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.19 3ioe h VAL 238 N 0.89 1.23 -0.43 0.00 2.07 -1.18 -1.93 116.25 116.90 3ioe h VAL 238 Ca 0.15 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3ioe h VAL 238 Cb 0.62 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3ioe h VAL 238 CO 0.04 0.25 0.23 -0.07 0.02 0.00 0.00 177.57 178.05 3ioe h LEU 239 N 0.29 0.55 -1.81 2.57 3.38 -1.14 -2.70 115.31 116.44 3ioe h LEU 239 Ca 0.09 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3ioe h LEU 239 Cb 0.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3ioe h LEU 239 CO 0.00 0.49 0.21 0.44 0.09 0.00 0.00 178.44 179.67 3ioe h ASP 240 N 0.56 0.21 0.21 -0.43 3.32 -0.85 -2.17 116.42 117.27 3ioe h ASP 240 Ca 0.15 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3ioe h ASP 240 Cb 0.07 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3ioe h ASP 240 CO -0.02 0.14 -0.04 0.00 -1.72 0.00 0.00 179.24 177.59 3ioe n ALA 241 N -2.53 2.67 -2.65 3.45 0.00 -0.73 -4.86 120.51 115.87 3ioe n ALA 241 Ca 0.03 -0.26 -0.38 0.00 0.00 0.00 0.00 53.44 52.83 3ioe n ALA 241 Cb 0.20 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 3ioe n ALA 241 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ioe s ALA 242 N -2.26 3.57 -0.11 0.00 0.00 -0.82 -5.04 121.76 117.11 3ioe s ALA 242 Ca 0.37 -0.72 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 3ioe s ALA 242 Cb 0.21 -2.56 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 3ioe s ALA 242 CO 0.42 -0.38 1.49 -1.25 0.00 0.00 0.00 175.76 176.04 3ioe s PRO 243 N 1.46 4.18 -0.70 0.00 0.04 -1.26 -3.16 135.00 135.57 3ioe s PRO 243 Ca 0.14 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 63.11 3ioe s PRO 243 Cb -0.15 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.50 3ioe s PRO 243 CO 0.08 -0.81 0.24 0.41 0.04 0.00 0.00 177.00 176.95 3ioe n GLY 244 N 3.95 0.13 3.47 0.56 0.00 -1.26 -4.85 105.19 107.19 3ioe n GLY 244 Ca 0.16 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3ioe n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ioe s VAL 245 N -2.77 4.43 -0.33 1.61 1.01 -1.19 -4.41 120.40 118.75 3ioe s VAL 245 Ca 0.12 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 3ioe s VAL 245 Cb -0.05 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3ioe s VAL 245 CO 0.14 0.34 0.16 0.00 0.00 0.00 0.00 175.10 175.74 3ioe s ALA 246 N 1.55 3.23 -0.10 5.51 0.00 -0.45 -4.95 121.76 126.55 3ioe s ALA 246 Ca 0.06 -1.55 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 3ioe s ALA 246 Cb -0.15 -2.42 -0.02 0.00 0.00 0.00 0.00 23.12 20.53 3ioe s ALA 246 CO 0.04 -1.13 1.22 0.08 0.00 0.00 0.00 175.76 175.98 3ioe s VAL 247 N 1.56 4.27 -0.14 0.00 1.01 -1.26 0.17 120.40 126.00 3ioe s VAL 247 Ca 0.03 1.57 -0.28 0.00 0.00 0.00 0.00 61.98 63.30 3ioe s VAL 247 Cb -0.18 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 31.93 3ioe s VAL 247 CO 0.06 -0.06 0.72 0.44 0.00 0.00 0.00 175.10 176.26 3ioe h ASP 248 N 7.75 0.04 -5.09 3.32 3.32 -0.89 -3.48 116.42 121.38 3ioe h ASP 248 Ca -0.31 -0.95 -0.10 0.00 0.02 0.00 0.00 57.03 55.69 3ioe h ASP 248 Cb 1.14 -0.01 -0.16 0.00 0.22 0.00 0.00 39.33 40.51 3ioe h ASP 248 CO 0.92 1.08 -0.37 -0.72 -1.72 0.00 0.00 179.24 178.43 3ioe s TYR 249 N -2.25 0.07 -0.20 4.55 -0.85 -0.91 -4.99 117.35 112.77 3ioe s TYR 249 Ca -0.20 -0.34 -0.04 0.00 -0.52 0.00 0.00 57.07 55.97 3ioe s TYR 249 Cb -0.02 -0.02 0.08 0.00 0.38 0.00 0.00 41.96 42.38 3ioe s TYR 249 CO 0.69 -0.47 0.14 -1.17 -1.52 0.00 0.00 175.55 173.22 3ioe s LEU 250 N -2.32 0.19 -0.01 -3.49 2.96 -1.26 -1.55 118.68 113.20 3ioe s LEU 250 Ca -0.02 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3ioe s LEU 250 Cb 0.01 -0.02 -0.01 0.00 0.50 0.00 0.00 46.19 46.67 3ioe s LEU 250 CO -0.06 -0.35 -0.10 -1.61 -1.32 0.00 0.00 176.35 172.91 3ioe s GLU 251 N 2.21 0.83 -0.24 1.98 2.02 0.09 -4.96 118.70 120.63 3ioe s GLU 251 Ca 0.05 -0.36 -0.07 0.00 0.02 0.00 0.00 54.97 54.61 3ioe s GLU 251 Cb -0.16 -0.80 -0.03 0.00 0.10 0.00 0.00 34.13 33.25 3ioe s GLU 251 CO -0.14 0.21 0.06 -1.17 0.02 0.00 0.00 175.26 174.25 3ioe s LEU 252 N -0.22 3.39 0.17 1.80 2.96 -1.26 -0.58 118.68 124.94 3ioe s LEU 252 Ca 0.04 -0.22 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3ioe s LEU 252 Cb -0.04 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 3ioe s LEU 252 CO -0.00 -0.03 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.84 3ioe s ARG 253 N 1.57 1.11 0.75 1.98 0.52 0.01 -4.93 118.95 119.96 3ioe s ARG 253 Ca 0.06 -1.52 -0.15 0.00 -0.52 0.00 0.00 55.73 53.60 3ioe s ARG 253 Cb -0.15 -0.39 0.03 0.00 0.52 0.00 0.00 34.95 34.96 3ioe s ARG 253 CO 0.03 -0.07 1.01 -3.47 0.02 0.00 0.00 175.30 172.81 3ioe n ASP 254 N -0.24 0.53 0.26 0.23 2.03 -1.26 -0.72 116.55 117.39 3ioe n ASP 254 Ca -0.08 0.64 0.18 0.00 0.52 0.00 0.00 54.79 56.05 3ioe n ASP 254 Cb 0.63 -1.43 0.91 0.00 -0.72 0.00 0.00 41.12 40.51 3ioe n ASP 254 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3ioe h ILE 255 N -0.45 0.24 -0.08 5.18 3.07 -1.85 0.93 117.51 124.56 3ioe h ILE 255 Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 3ioe h ILE 255 Cb 1.32 0.82 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 3ioe h ILE 255 CO 0.46 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 178.17 3ioe n GLY 256 N -1.29 0.78 3.84 0.16 0.00 -1.26 -4.95 105.19 102.48 3ioe n GLY 256 Ca -0.00 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3ioe n GLY 256 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ioe n LEU 257 N 1.00 0.77 0.00 0.99 4.77 0.32 -4.92 117.00 119.94 3ioe n LEU 257 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3ioe n LEU 257 Cb 0.52 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.44 3ioe n LEU 257 CO 0.15 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.44 3ioe n GLY 258 N -2.00 1.20 2.15 -0.72 0.00 -1.26 -4.91 105.19 99.65 3ioe n GLY 258 Ca 0.00 -1.88 -0.05 0.00 0.00 0.00 0.00 46.02 44.09 3ioe n GLY 258 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ioe n PRO 259 N 0.00 0.89 -4.06 1.61 -0.04 -1.26 -4.80 135.00 127.33 3ioe n PRO 259 Ca 0.00 -0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 62.93 3ioe n PRO 259 Cb 0.00 -1.65 -0.12 0.00 -0.04 0.00 0.00 33.50 31.69 3ioe n PRO 259 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3ioe s MET 260 N 1.81 0.45 0.62 0.54 -1.94 -1.26 -5.15 119.30 114.36 3ioe s MET 260 Ca 0.27 -0.59 -0.14 0.00 -1.71 0.00 0.00 55.69 53.52 3ioe s MET 260 Cb 0.13 -0.25 -0.03 0.00 2.01 0.00 0.00 34.83 36.69 3ioe s MET 260 CO 0.00 0.05 1.04 -1.25 -0.01 0.00 0.00 175.02 174.85 3ioe s PRO 261 N -1.20 3.34 0.18 2.03 0.04 -1.26 -4.52 135.00 133.61 3ioe s PRO 261 Ca -0.08 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 3ioe s PRO 261 Cb -0.08 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 3ioe s PRO 261 CO 0.00 -0.78 1.18 -1.17 0.04 0.00 0.00 177.00 176.27 3ioe s LEU 262 N -4.85 4.45 0.00 -3.56 2.96 -1.26 -4.63 118.68 111.79 3ioe s LEU 262 Ca 0.60 2.19 0.00 0.00 -0.22 0.00 0.00 54.13 56.70 3ioe s LEU 262 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.95 3ioe s LEU 262 CO 0.44 -0.35 0.00 -0.46 -1.32 0.00 0.00 176.35 174.66 3ioe n ASN 263 N 2.55 0.00 -0.12 3.68 2.04 -1.26 -5.00 115.26 117.15 3ioe n ASN 263 Ca 0.04 0.00 -0.24 0.00 -0.44 0.00 0.00 54.58 53.94 3ioe n ASN 263 Cb 0.45 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.61 3ioe n ASN 263 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3ioe n GLY 264 N 3.75 -0.63 3.72 4.83 0.00 -1.26 -4.78 105.19 110.82 3ioe n GLY 264 Ca 0.00 -0.06 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3ioe n GLY 264 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ioe s SER 265 N -7.04 6.86 0.14 1.61 0.01 -1.26 0.06 113.70 114.08 3ioe s SER 265 Ca -0.33 1.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.93 3ioe s SER 265 Cb 0.10 -2.35 0.01 0.00 0.21 0.00 0.00 66.02 63.99 3ioe s SER 265 CO 0.51 -0.05 0.23 0.61 0.41 0.00 0.00 173.24 174.95 3ioe n GLY 266 N 3.13 2.32 2.96 3.44 0.00 0.24 -4.02 105.19 113.25 3ioe n GLY 266 Ca -0.04 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.45 3ioe n GLY 266 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3ioe s ARG 267 N -2.21 0.87 -0.18 1.61 6.06 0.11 -1.36 118.95 123.85 3ioe s ARG 267 Ca 0.09 -0.22 -0.05 0.00 -2.50 0.00 0.00 55.73 53.05 3ioe s ARG 267 Cb -0.01 -0.83 -0.03 0.00 0.06 0.00 0.00 34.95 34.15 3ioe s ARG 267 CO 0.07 0.04 -0.01 -1.17 -2.50 0.00 0.00 175.30 171.73 3ioe s LEU 268 N 0.41 3.32 -0.02 -0.88 2.96 0.38 -0.81 118.68 124.04 3ioe s LEU 268 Ca -0.06 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3ioe s LEU 268 Cb -0.10 -1.82 -0.01 0.00 0.50 0.00 0.00 46.19 44.75 3ioe s LEU 268 CO 0.00 0.12 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.22 3ioe s LEU 269 N 0.66 2.02 0.02 -0.68 1.02 0.26 -0.87 118.68 121.10 3ioe s LEU 269 Ca -0.01 -0.32 0.04 0.00 0.02 0.00 0.00 54.13 53.87 3ioe s LEU 269 Cb -0.14 -0.90 -0.02 0.00 0.02 0.00 0.00 46.19 45.15 3ioe s LEU 269 CO 0.02 0.21 -0.12 0.54 0.02 0.00 0.00 176.35 177.02 3ioe s VAL 270 N -0.37 0.98 -0.04 -1.59 0.11 -0.06 -0.73 120.40 118.71 3ioe s VAL 270 Ca 0.06 -0.78 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 3ioe s VAL 270 Cb -0.07 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3ioe s VAL 270 CO -0.00 0.09 -0.05 0.00 -3.33 0.00 0.00 175.10 171.80 3ioe s ALA 271 N -0.63 0.64 0.03 1.54 0.00 -0.60 -2.07 121.76 120.67 3ioe s ALA 271 Ca 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 3ioe s ALA 271 Cb -0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3ioe s ALA 271 CO 0.00 0.03 0.05 0.00 0.00 0.00 0.00 175.76 175.84 3ioe s ALA 272 N 0.69 0.04 -0.17 0.00 0.00 -0.37 -0.15 121.76 121.80 3ioe s ALA 272 Ca -0.09 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.20 3ioe s ALA 272 Cb -0.12 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3ioe s ALA 272 CO 0.00 -0.27 0.01 1.03 0.00 0.00 0.00 175.76 176.54 3ioe s ARG 273 N -2.33 3.83 -0.50 0.00 0.52 0.13 0.22 118.95 120.81 3ioe s ARG 273 Ca -0.07 -0.43 -0.03 0.00 -0.52 0.00 0.00 55.73 54.68 3ioe s ARG 273 Cb -0.03 -3.06 0.13 0.00 0.52 0.00 0.00 34.95 32.51 3ioe s ARG 273 CO -0.04 0.26 0.30 -0.51 0.02 0.00 0.00 175.30 175.33 3ioe s LEU 274 N 0.36 5.24 0.00 2.53 1.02 0.85 -1.34 118.68 127.34 3ioe s LEU 274 Ca -0.01 -2.37 0.00 0.00 0.02 0.00 0.00 54.13 51.78 3ioe s LEU 274 Cb -0.13 -1.84 0.00 0.00 0.02 0.00 0.00 46.19 44.24 3ioe s LEU 274 CO 0.02 -0.47 0.00 0.61 0.02 0.00 0.00 176.35 176.52 3ioe n GLY 275 N 4.14 3.24 0.17 -3.19 0.00 -1.26 -2.21 105.19 106.09 3ioe n GLY 275 Ca 0.02 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.01 3ioe n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ioe n THR 276 N 0.00 0.00 -2.89 2.61 -2.24 -1.26 -4.90 114.28 105.60 3ioe n THR 276 Ca 0.00 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 3ioe n THR 276 Cb 0.00 0.59 -0.04 0.00 -2.10 0.00 0.00 70.33 68.78 3ioe n THR 276 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3ioe s THR 277 N -2.74 4.86 -0.26 4.28 2.01 -0.94 -5.03 115.64 117.82 3ioe s THR 277 Ca 0.16 1.61 -0.10 0.00 0.31 0.00 0.00 61.69 63.67 3ioe s THR 277 Cb 0.18 -4.13 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3ioe s THR 277 CO 0.64 -0.02 0.16 -0.60 -0.69 0.00 0.00 174.62 174.11 3ioe s ARG 278 N 2.48 3.96 0.05 4.92 3.52 -1.26 -0.10 118.95 132.52 3ioe s ARG 278 Ca 0.37 -0.32 0.06 0.00 -0.13 0.00 0.00 55.73 55.71 3ioe s ARG 278 Cb -0.16 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.64 3ioe s ARG 278 CO 0.10 -0.07 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.88 3ioe s LEU 279 N 1.43 2.90 0.13 -0.88 1.43 0.13 -4.97 118.68 118.85 3ioe s LEU 279 Ca 0.07 -0.34 0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3ioe s LEU 279 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 3ioe s LEU 279 CO 0.07 0.24 -0.24 -0.76 0.23 0.00 0.00 176.35 175.89 3ioe s LEU 280 N -1.68 2.34 0.10 1.79 1.43 -1.26 -1.24 118.68 120.15 3ioe s LEU 280 Ca 0.17 -0.75 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 3ioe s LEU 280 Cb -0.11 -1.07 0.07 0.00 0.03 0.00 0.00 46.19 45.11 3ioe s LEU 280 CO 0.09 0.11 0.61 -0.62 0.23 0.00 0.00 176.35 176.77 3ioe s ASP 281 N -2.13 -0.57 0.19 2.29 -1.08 -0.88 -4.89 116.67 109.60 3ioe s ASP 281 Ca 0.12 0.18 -0.13 0.00 -0.52 0.00 0.00 52.55 52.21 3ioe s ASP 281 Cb -0.09 0.57 0.01 0.00 -1.46 0.00 0.00 42.92 41.94 3ioe s ASP 281 CO 0.06 -0.86 0.41 0.54 0.52 0.00 0.00 175.17 175.85 3ioe s ASN 282 N -2.30 -0.10 -0.02 -0.34 2.20 -1.26 -0.88 114.94 112.24 3ioe s ASN 282 Ca -0.02 -0.73 -0.19 0.00 -0.94 0.00 0.00 52.86 50.98 3ioe s ASN 282 Cb -0.01 0.52 0.03 0.00 -2.00 0.00 0.00 41.25 39.80 3ioe s ASN 282 CO -0.06 -1.00 0.40 -0.51 -2.94 0.00 0.00 177.10 172.99 3ioe s ILE 283 N -3.94 0.04 0.20 0.54 2.07 -0.05 -4.97 121.20 115.09 3ioe s ILE 283 Ca 0.15 -0.36 -0.31 0.00 -1.41 0.00 0.00 60.65 58.72 3ioe s ILE 283 Cb 0.01 -0.71 -0.10 0.00 0.13 0.00 0.00 42.46 41.79 3ioe s ILE 283 CO 0.01 -0.20 1.53 0.00 -1.91 0.00 0.00 174.94 174.37 3ioe s ALA 284 N -1.28 3.73 -0.07 1.50 0.00 -1.26 -0.47 121.76 123.90 3ioe s ALA 284 Ca -0.13 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.25 3ioe s ALA 284 Cb -0.04 -3.60 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3ioe s ALA 284 CO 0.06 -0.78 -0.22 0.42 0.00 0.00 0.00 175.76 175.23 3ioe s ILE 285 N 0.67 1.87 -0.18 0.00 -1.09 -0.46 -4.82 121.20 117.18 3ioe s ILE 285 Ca 0.66 -0.94 0.01 0.00 -2.23 0.00 0.00 60.65 58.15 3ioe s ILE 285 Cb -0.43 -1.60 0.03 0.00 -1.58 0.00 0.00 42.46 38.88 3ioe s ILE 285 CO 0.36 0.52 -0.14 -1.61 -1.23 0.00 0.00 174.94 172.85 3ioe s GLU 286 N 0.09 2.33 -0.00 2.79 0.41 -1.26 -0.59 118.70 122.47 3ioe s GLU 286 Ca -0.09 -0.79 -0.25 0.00 -0.41 0.00 0.00 54.97 53.43 3ioe s GLU 286 Cb -0.15 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.77 3ioe s GLU 286 CO 0.05 -0.33 0.77 0.42 -0.49 0.00 0.00 175.26 175.67 3ioe s ILE 287 N 1.38 4.87 0.00 -1.63 -1.09 0.11 -3.54 121.20 121.30 3ioe s ILE 287 Ca 0.01 1.61 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 3ioe s ILE 287 Cb -0.15 -4.11 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 3ioe s ILE 287 CO -0.10 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.52 3ioe n GLY 288 N 2.72 0.62 0.85 6.18 0.00 -0.55 -4.74 105.19 110.27 3ioe n GLY 288 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 3ioe n GLY 288 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73