#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xii s GLN 4 N 0.00 4.11 0.47 -0.72 -0.44 -1.26 -4.67 119.66 117.15 1xii s GLN 4 Ca 0.00 -0.16 -0.20 0.00 -2.50 0.00 0.00 55.36 52.50 1xii s GLN 4 Cb 0.00 -3.52 -0.09 0.00 -1.64 0.00 0.00 33.01 27.76 1xii s GLN 4 CO 0.00 0.08 1.00 -1.25 0.50 0.00 0.00 175.29 175.62 1xii s PRO 5 N 0.98 3.97 0.27 1.67 0.04 -1.26 -5.07 135.00 135.60 1xii s PRO 5 Ca 0.10 1.20 0.05 0.00 0.04 0.00 0.00 61.00 62.39 1xii s PRO 5 Cb -0.13 -2.13 -0.06 0.00 0.04 0.00 0.00 34.50 32.22 1xii s PRO 5 CO 0.04 -0.26 -0.03 0.95 0.04 0.00 0.00 177.00 177.74 1xii s THR 6 N -2.17 1.42 0.56 1.26 -4.23 -1.26 -4.65 115.64 106.57 1xii s THR 6 Ca 0.64 -2.08 0.31 0.00 -1.18 0.00 0.00 61.69 59.38 1xii s THR 6 Cb -0.12 -2.45 0.45 0.00 1.34 0.00 0.00 72.50 71.72 1xii s THR 6 CO 0.19 -0.28 1.84 -0.65 -0.54 0.00 0.00 174.62 175.18 1xii h PRO 7 N 2.32 0.00 0.00 3.99 0.11 -1.78 0.35 132.00 136.98 1xii h PRO 7 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1xii h PRO 7 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xii h PRO 7 CO 0.67 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.39 1xii h GLU 8 N 0.00 0.00 0.00 1.05 3.07 -1.95 -2.18 114.58 114.57 1xii h GLU 8 Ca 0.37 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1xii h GLU 8 Cb 1.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.59 1xii h GLU 8 CO -0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 1xii n ASP 9 N -2.99 0.05 -1.54 1.42 8.00 0.12 -4.92 116.55 116.69 1xii n ASP 9 Ca -0.00 0.51 -0.12 0.00 0.71 0.00 0.00 54.79 55.88 1xii n ASP 9 Cb 0.24 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1xii n ASP 9 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xii n ARG 10 N -1.55 -1.69 -2.79 -1.24 5.12 -0.82 -4.66 116.66 109.03 1xii n ARG 10 Ca 0.05 0.56 -0.41 0.00 -1.93 0.00 0.00 57.85 56.11 1xii n ARG 10 Cb 0.24 -4.67 -0.03 0.00 -1.16 0.00 0.00 32.46 26.83 1xii n ARG 10 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 1xii s PHE 11 N -2.71 3.62 0.16 -1.55 0.08 -1.26 0.01 117.98 116.33 1xii s PHE 11 Ca 0.07 1.57 0.05 0.00 0.12 0.00 0.00 56.93 58.74 1xii s PHE 11 Cb -0.03 -3.05 -0.05 0.00 -0.57 0.00 0.00 43.02 39.33 1xii s PHE 11 CO 0.08 -0.02 -0.11 0.95 -0.10 0.00 0.00 175.22 176.03 1xii s THR 12 N 1.10 1.32 0.01 0.64 -4.23 -0.50 -0.00 115.64 113.98 1xii s THR 12 Ca 0.48 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.89 1xii s THR 12 Cb -0.20 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.72 1xii s THR 12 CO 0.24 -0.70 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.22 1xii s PHE 13 N -3.23 0.34 0.43 3.99 0.40 -1.03 -0.22 117.98 118.65 1xii s PHE 13 Ca 0.18 -0.22 -0.23 0.00 -0.60 0.00 0.00 56.93 56.07 1xii s PHE 13 Cb 0.02 -0.21 -0.09 0.00 0.51 0.00 0.00 43.02 43.25 1xii s PHE 13 CO 0.02 -0.05 1.06 0.20 0.70 0.00 0.00 175.22 177.16 1xii s GLY 14 N -0.61 2.68 0.44 4.36 0.00 -1.21 -1.73 107.32 111.25 1xii s GLY 14 Ca -0.04 0.71 0.19 0.00 0.00 0.00 0.00 44.72 45.58 1xii s GLY 14 CO -0.00 1.11 1.89 1.41 0.00 0.00 0.00 173.10 177.51 1xii h LEU 15 N 2.15 0.32 0.00 0.66 3.38 -1.25 -1.94 115.31 118.64 1xii h LEU 15 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xii h LEU 15 Cb 1.22 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1xii h LEU 15 CO 0.61 0.15 0.00 -2.67 0.09 0.00 0.00 178.44 176.62 1xii n TRP 16 N -4.46 0.00 0.00 1.13 2.14 -1.26 -1.86 117.44 113.13 1xii n TRP 16 Ca 0.17 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.74 1xii n TRP 16 Cb 0.66 -0.24 0.00 0.00 -0.81 0.00 0.00 31.31 30.92 1xii n TRP 16 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1xii n THR 17 N -1.24 0.00 0.29 -1.67 -2.24 -0.73 -2.75 114.28 105.94 1xii n THR 17 Ca 0.13 0.40 0.18 0.00 -2.27 0.00 0.00 64.05 62.49 1xii n THR 17 Cb 0.18 -1.30 0.97 0.00 -2.10 0.00 0.00 70.33 68.09 1xii n THR 17 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 1xii h VAL 18 N 0.00 0.35 -0.07 2.28 -1.51 -1.74 -1.92 116.25 113.64 1xii h VAL 18 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1xii h VAL 18 Cb 0.00 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1xii h VAL 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1xii n GLY 19 N -1.27 -0.37 3.66 5.19 0.00 -0.78 -4.89 105.19 106.73 1xii n GLY 19 Ca -0.02 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1xii n GLY 19 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xii s TRP 20 N -1.91 2.12 -1.37 1.61 -0.00 -0.72 -4.65 118.94 114.02 1xii s TRP 20 Ca 0.32 0.32 0.25 0.00 -0.00 0.00 0.00 56.10 57.00 1xii s TRP 20 Cb 0.16 -3.85 1.24 0.00 -0.00 0.00 0.00 33.47 31.02 1xii s TRP 20 CO 0.26 -3.52 1.84 1.04 -0.00 0.00 0.00 176.95 176.57 1xii n GLN 21 N 7.04 0.30 -0.60 5.86 6.02 -1.26 -4.90 117.38 129.84 1xii n GLN 21 Ca 0.17 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1xii n GLN 21 Cb 0.43 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.19 1xii n GLN 21 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xii n GLY 22 N 0.88 0.65 3.69 1.08 0.00 -1.26 -1.16 105.19 109.06 1xii n GLY 22 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 1xii n GLY 22 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xii s ARG 23 N -0.99 4.39 0.44 1.61 3.52 -1.26 -4.39 118.95 122.27 1xii s ARG 23 Ca 0.00 1.64 0.03 0.00 -0.13 0.00 0.00 55.73 57.28 1xii s ARG 23 Cb 0.00 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 1xii s ARG 23 CO 0.00 -0.36 0.05 0.16 -0.81 0.00 0.00 175.30 174.33 1xii s ASP 24 N 1.32 3.46 0.64 -2.12 1.47 -0.96 -4.98 116.67 115.51 1xii s ASP 24 Ca 0.55 -1.57 0.35 0.00 1.18 0.00 0.00 52.55 53.06 1xii s ASP 24 Cb -0.25 0.27 1.93 0.00 -0.34 0.00 0.00 42.92 44.53 1xii s ASP 24 CO 0.24 -0.77 2.14 1.55 0.68 0.00 0.00 175.17 179.01 1xii h PRO 25 N 1.65 0.00 -0.06 2.11 0.13 -2.02 -2.92 132.00 130.89 1xii h PRO 25 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 1xii h PRO 25 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1xii h PRO 25 CO 0.70 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.66 1xii n PHE 26 N -3.24 0.09 -3.51 1.56 3.72 -1.26 -5.07 117.46 109.76 1xii n PHE 26 Ca -0.01 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.68 1xii n PHE 26 Cb 0.25 -0.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 1xii n PHE 26 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1xii s GLY 27 N -1.17 -0.56 0.88 1.37 0.00 -1.11 -5.16 107.32 101.58 1xii s GLY 27 Ca 0.07 0.94 -0.12 0.00 0.00 0.00 0.00 44.72 45.61 1xii s GLY 27 CO 0.03 0.60 1.10 0.99 0.00 0.00 0.00 173.10 175.82 1xii s ASP 28 N -1.77 3.69 0.37 1.64 1.01 -1.26 -2.27 116.67 118.08 1xii s ASP 28 Ca -0.07 1.36 -0.28 0.00 0.71 0.00 0.00 52.55 54.27 1xii s ASP 28 Cb -0.00 -2.05 -0.11 0.00 1.01 0.00 0.00 42.92 41.77 1xii s ASP 28 CO 0.01 -2.49 1.40 0.00 0.21 0.00 0.00 175.17 174.31 1xii n ALA 29 N -3.77 1.90 0.61 5.23 0.00 -1.26 -4.31 120.51 118.90 1xii n ALA 29 Ca 0.07 0.34 0.07 0.00 0.00 0.00 0.00 53.44 53.92 1xii n ALA 29 Cb 0.56 -2.35 -0.00 0.00 0.00 0.00 0.00 19.45 17.66 1xii n ALA 29 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xii n THR 30 N 0.34 0.00 -4.11 0.00 -2.24 -0.31 -4.92 114.28 103.03 1xii n THR 30 Ca 0.03 -0.35 -0.15 0.00 -2.27 0.00 0.00 64.05 61.31 1xii n THR 30 Cb 0.38 1.16 -0.12 0.00 -2.10 0.00 0.00 70.33 69.64 1xii n THR 30 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xii s ARG 31 N -1.71 0.57 0.75 -0.78 0.52 -0.90 -4.99 118.95 112.42 1xii s ARG 31 Ca 0.11 -0.68 -0.11 0.00 -0.52 0.00 0.00 55.73 54.53 1xii s ARG 31 Cb 0.11 -0.42 0.04 0.00 0.52 0.00 0.00 34.95 35.20 1xii s ARG 31 CO 0.35 0.09 1.08 -0.98 0.02 0.00 0.00 175.30 175.86 1xii s ARG 32 N -1.32 2.49 0.44 3.54 1.70 -1.26 -4.70 118.95 119.83 1xii s ARG 32 Ca -0.06 1.06 -0.24 0.00 -0.47 0.00 0.00 55.73 56.02 1xii s ARG 32 Cb -0.09 -1.93 -0.08 0.00 -0.57 0.00 0.00 34.95 32.29 1xii s ARG 32 CO 0.01 -1.45 1.19 0.00 -1.08 0.00 0.00 175.30 173.97 1xii s ALA 33 N -2.97 3.06 -0.06 7.88 0.00 -1.26 -4.88 121.76 123.54 1xii s ALA 33 Ca 0.60 1.00 -0.05 0.00 0.00 0.00 0.00 51.96 53.51 1xii s ALA 33 Cb -0.16 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1xii s ALA 33 CO 0.56 -0.66 0.17 -0.51 0.00 0.00 0.00 175.76 175.31 1xii s LEU 34 N -2.79 4.38 0.08 0.00 1.43 -1.26 -5.08 118.68 115.44 1xii s LEU 34 Ca 0.61 0.41 -0.31 0.00 -1.03 0.00 0.00 54.13 53.81 1xii s LEU 34 Cb -0.31 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.47 1xii s LEU 34 CO 0.38 0.33 1.20 -0.62 0.23 0.00 0.00 176.35 177.87 1xii s ASP 35 N -1.53 7.08 0.45 2.29 -1.08 -1.26 -4.91 116.67 117.72 1xii s ASP 35 Ca 0.22 2.04 0.29 0.00 -0.52 0.00 0.00 52.55 54.58 1xii s ASP 35 Cb -0.12 -2.58 1.35 0.00 -1.46 0.00 0.00 42.92 40.11 1xii s ASP 35 CO 0.12 -0.46 1.71 -0.65 0.52 0.00 0.00 175.17 176.41 1xii h PRO 36 N 6.64 0.17 -0.66 4.34 0.11 -1.97 0.13 132.00 140.77 1xii h PRO 36 Ca -0.42 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.63 1xii h PRO 36 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1xii h PRO 36 CO 0.81 0.11 0.19 0.28 -0.21 0.00 0.00 178.00 179.18 1xii h VAL 37 N 0.18 1.25 -0.37 3.15 2.07 -1.92 -0.54 116.25 120.06 1xii h VAL 37 Ca 0.69 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1xii h VAL 37 Cb 2.19 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1xii h VAL 37 CO -0.26 0.34 -0.02 -0.08 0.02 0.00 0.00 177.57 177.57 1xii h GLU 38 N 0.96 0.67 -0.69 1.57 4.81 -1.14 -2.17 114.58 118.58 1xii h GLU 38 Ca 0.21 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1xii h GLU 38 Cb 0.31 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.60 1xii h GLU 38 CO -0.00 0.79 0.45 0.77 -0.73 0.00 0.00 179.01 180.28 1xii h SER 39 N 0.48 0.76 -0.13 1.04 0.02 -1.27 -0.41 113.55 114.05 1xii h SER 39 Ca 0.10 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1xii h SER 39 Cb 0.50 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1xii h SER 39 CO 0.02 0.55 -0.11 0.58 -1.14 0.00 0.00 176.83 176.72 1xii h VAL 40 N 0.91 0.67 -0.33 2.27 2.07 -0.92 -0.70 116.25 120.22 1xii h VAL 40 Ca 0.26 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.79 1xii h VAL 40 Cb -0.06 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1xii h VAL 40 CO -0.07 0.00 0.20 1.56 0.02 0.00 0.00 177.57 179.28 1xii h GLN 41 N -0.13 0.39 -0.34 1.57 4.20 -1.17 -0.79 115.11 118.85 1xii h GLN 41 Ca 0.09 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 1xii h GLN 41 Cb 0.26 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1xii h GLN 41 CO -0.21 0.26 -0.30 0.00 -0.67 0.00 0.00 178.83 177.91 1xii h ARG 42 N 0.41 0.73 -0.12 1.46 2.47 -0.88 -1.26 114.38 117.17 1xii h ARG 42 Ca 0.13 -0.33 -0.14 0.00 -1.26 0.00 0.00 59.98 58.38 1xii h ARG 42 Cb -0.01 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1xii h ARG 42 CO -0.06 0.93 -0.54 -0.07 0.56 0.00 0.00 179.97 180.80 1xii h LEU 43 N 0.62 0.38 -0.54 3.04 3.38 -1.02 -2.56 115.31 118.61 1xii h LEU 43 Ca 0.07 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1xii h LEU 43 Cb 0.82 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1xii h LEU 43 CO 0.07 0.85 -0.12 0.00 0.09 0.00 0.00 178.44 179.33 1xii h ALA 44 N 1.16 0.74 0.00 1.53 0.00 -0.78 -1.45 119.26 120.47 1xii h ALA 44 Ca 0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xii h ALA 44 Cb 1.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xii h ALA 44 CO 0.09 0.67 -0.00 0.93 0.00 0.00 0.00 179.25 180.93 1xii h GLU 45 N 0.91 0.00 -0.00 0.00 5.08 -0.89 -1.90 114.58 117.77 1xii h GLU 45 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1xii h GLU 45 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1xii h GLU 45 CO 0.05 0.00 -0.14 1.28 -1.00 0.00 0.00 179.01 179.21 1xii n LEU 46 N -4.41 0.30 0.00 1.33 4.77 -0.78 -4.91 117.00 113.30 1xii n LEU 46 Ca -0.03 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1xii n LEU 46 Cb 0.09 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1xii n LEU 46 CO 0.33 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1xii n GLY 47 N 1.38 1.18 3.79 -0.72 0.00 -0.71 -4.69 105.19 105.42 1xii n GLY 47 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1xii n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xii s ALA 48 N -2.00 2.05 -0.13 4.61 0.00 -0.61 -3.33 121.76 122.34 1xii s ALA 48 Ca 0.00 -0.23 0.17 0.00 0.00 0.00 0.00 51.96 51.90 1xii s ALA 48 Cb 0.00 -3.11 -0.24 0.00 0.00 0.00 0.00 23.12 19.77 1xii s ALA 48 CO 0.00 -1.92 0.37 1.58 0.00 0.00 0.00 175.76 175.79 1xii n HIS 49 N -3.56 0.38 -3.97 0.00 -0.00 1.00 -4.51 115.22 104.55 1xii n HIS 49 Ca 0.07 0.13 0.03 0.00 -0.00 0.00 0.00 57.72 57.95 1xii n HIS 49 Cb 0.56 -1.00 0.01 0.00 -0.00 0.00 0.00 29.99 29.57 1xii n HIS 49 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1xii s GLY 50 N -5.18 -0.14 0.25 1.57 0.00 -1.14 -1.94 107.32 100.73 1xii s GLY 50 Ca -0.07 0.06 0.02 0.00 0.00 0.00 0.00 44.72 44.73 1xii s GLY 50 CO 0.83 5.40 0.04 -1.34 0.00 0.00 0.00 173.10 178.03 1xii s VAL 51 N -2.04 0.83 0.22 1.40 -7.23 -0.20 -2.47 120.40 110.90 1xii s VAL 51 Ca 0.29 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 1xii s VAL 51 Cb -0.00 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1xii s VAL 51 CO -0.01 -0.18 0.05 0.42 -0.31 0.00 0.00 175.10 175.07 1xii s THR 52 N -3.56 0.63 -0.07 5.32 -4.23 -0.70 -3.83 115.64 109.20 1xii s THR 52 Ca 0.32 -1.99 -0.21 0.00 -1.18 0.00 0.00 61.69 58.63 1xii s THR 52 Cb 0.07 -2.41 0.05 0.00 1.34 0.00 0.00 72.50 71.54 1xii s THR 52 CO 0.11 -0.21 0.49 0.72 -0.54 0.00 0.00 174.62 175.19 1xii s PHE 53 N -3.70 -0.44 0.29 3.99 -0.71 -1.24 -0.61 117.98 115.56 1xii s PHE 53 Ca 0.32 0.83 -0.12 0.00 -1.04 0.00 0.00 56.93 56.92 1xii s PHE 53 Cb 0.07 0.23 -0.08 0.00 -1.21 0.00 0.00 43.02 42.03 1xii s PHE 53 CO 0.10 -0.44 0.66 -1.01 -1.34 0.00 0.00 175.22 173.19 1xii s HIS 54 N -0.91 3.40 0.25 3.49 3.76 -1.26 -0.93 115.29 123.09 1xii s HIS 54 Ca -0.10 1.07 -0.10 0.00 -0.15 0.00 0.00 55.06 55.78 1xii s HIS 54 Cb -0.03 -2.42 0.38 0.00 1.11 0.00 0.00 32.58 31.62 1xii s HIS 54 CO 0.06 0.15 1.48 -0.40 -0.85 0.00 0.00 174.74 175.17 1xii n ASP 55 N -0.35 -0.42 0.05 1.40 5.75 -0.80 -0.58 116.55 121.59 1xii n ASP 55 Ca 0.02 1.64 0.13 0.00 -0.01 0.00 0.00 54.79 56.57 1xii n ASP 55 Cb 0.53 -0.46 0.49 0.00 -1.03 0.00 0.00 41.12 40.65 1xii n ASP 55 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1xii n ASP 56 N -5.50 0.38 0.07 -1.12 8.00 -1.26 -1.13 116.55 115.99 1xii n ASP 56 Ca 0.14 0.55 -0.07 0.00 0.71 0.00 0.00 54.79 56.11 1xii n ASP 56 Cb 0.45 -0.64 0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1xii n ASP 56 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xii h ASP 57 N 0.00 0.33 0.07 -2.24 3.32 -1.24 -3.38 116.42 113.28 1xii h ASP 57 Ca 0.00 -0.22 -0.35 0.00 0.02 0.00 0.00 57.03 56.48 1xii h ASP 57 Cb 0.55 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1xii h ASP 57 CO 0.00 0.94 -2.01 -0.11 -1.72 0.00 0.00 179.24 176.34 1xii n LEU 58 N -3.80 2.51 -4.04 1.55 7.94 -0.83 -4.82 117.00 115.50 1xii n LEU 58 Ca -0.03 0.19 -0.31 0.00 -1.11 0.00 0.00 56.01 54.74 1xii n LEU 58 Cb 0.70 -1.02 -0.16 0.00 0.53 0.00 0.00 43.42 43.47 1xii n LEU 58 CO 0.46 0.74 -0.47 -0.63 -1.11 0.00 0.00 177.39 176.39 1xii s ILE 59 N -2.51 1.88 0.25 1.96 1.01 -0.29 -4.87 121.20 118.63 1xii s ILE 59 Ca -0.28 -1.22 -0.31 0.00 0.00 0.00 0.00 60.65 58.85 1xii s ILE 59 Cb 0.08 -1.93 -0.13 0.00 0.01 0.00 0.00 42.46 40.48 1xii s ILE 59 CO 0.68 0.15 1.37 -2.65 0.00 0.00 0.00 174.94 174.49 1xii n PRO 60 N 4.59 1.99 -1.57 2.79 -0.02 -1.26 -4.19 135.00 137.33 1xii n PRO 60 Ca -0.15 0.71 -0.52 0.00 -2.02 0.00 0.00 63.50 61.51 1xii n PRO 60 Cb 0.45 -2.34 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 1xii n PRO 60 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1xii n PHE 61 N 1.66 1.29 -0.88 6.00 -0.00 -1.26 -1.90 117.46 122.37 1xii n PHE 61 Ca 0.11 0.72 0.00 0.00 -0.00 0.00 0.00 57.45 58.28 1xii n PHE 61 Cb 0.32 -2.28 0.00 0.00 -0.00 0.00 0.00 39.48 37.52 1xii n PHE 61 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1xii n GLY 62 N 2.25 0.85 3.63 7.13 0.00 -1.26 -5.03 105.19 112.77 1xii n GLY 62 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 1xii n GLY 62 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xii n SER 63 N 0.00 1.94 -4.79 1.61 7.64 -0.80 -4.99 113.62 114.23 1xii n SER 63 Ca 0.00 1.19 -0.30 0.00 1.01 0.00 0.00 58.87 60.77 1xii n SER 63 Cb 0.00 -1.37 0.10 0.00 -1.01 0.00 0.00 64.21 61.93 1xii n SER 63 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xii s SER 64 N -0.37 4.29 0.54 6.43 1.04 -1.26 -4.78 113.70 119.58 1xii s SER 64 Ca 0.59 1.37 0.29 0.00 0.48 0.00 0.00 55.95 58.67 1xii s SER 64 Cb -0.66 -2.09 1.45 0.00 0.10 0.00 0.00 66.02 64.82 1xii s SER 64 CO 0.60 -2.10 1.93 0.44 0.98 0.00 0.00 173.24 175.09 1xii h ASP 65 N -1.18 0.00 0.20 7.02 5.19 -1.99 0.96 116.42 126.62 1xii h ASP 65 Ca -0.47 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 55.66 1xii h ASP 65 Cb 1.27 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.81 1xii h ASP 65 CO 0.58 0.00 -1.26 0.77 -3.12 0.00 0.00 179.24 176.21 1xii h SER 66 N 0.00 0.65 -0.65 6.45 4.64 -2.00 -2.07 113.55 120.58 1xii h SER 66 Ca 0.34 -0.93 -0.08 0.00 -0.47 0.00 0.00 61.79 60.66 1xii h SER 66 Cb 1.39 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1xii h SER 66 CO -0.00 1.60 0.11 -0.33 -0.87 0.00 0.00 176.83 177.33 1xii h GLU 67 N -0.09 1.07 -0.25 4.77 5.08 -1.60 -2.50 114.58 121.06 1xii h GLU 67 Ca -0.23 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1xii h GLU 67 Cb 1.94 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.99 1xii h GLU 67 CO 0.20 0.98 -0.31 0.00 -1.00 0.00 0.00 179.01 178.88 1xii h ARG 68 N 0.98 -0.31 -0.21 2.33 3.08 -0.83 -1.58 114.38 117.85 1xii h ARG 68 Ca 0.20 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 60.18 1xii h ARG 68 Cb 0.43 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 1xii h ARG 68 CO 0.01 -0.21 -0.24 1.49 -1.07 0.00 0.00 179.97 179.95 1xii h GLU 69 N -0.32 0.39 -0.51 0.04 4.81 -1.11 -0.90 114.58 116.98 1xii h GLU 69 Ca 0.13 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1xii h GLU 69 Cb 0.53 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 1xii h GLU 69 CO -0.43 0.61 0.13 1.49 -0.73 0.00 0.00 179.01 180.09 1xii h GLU 70 N 0.35 0.81 -0.63 1.92 4.81 -1.00 -0.20 114.58 120.64 1xii h GLU 70 Ca 0.05 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 1xii h GLU 70 Cb 0.62 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1xii h GLU 70 CO 0.04 0.78 0.21 0.45 -0.73 0.00 0.00 179.01 179.76 1xii h HIS 71 N 0.71 1.00 -0.10 0.92 3.86 -0.51 -1.73 115.15 119.30 1xii h HIS 71 Ca 0.16 -0.10 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 1xii h HIS 71 Cb 0.32 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1xii h HIS 71 CO 0.02 0.82 -0.01 0.28 0.86 0.00 0.00 177.93 179.89 1xii h VAL 72 N 0.90 1.27 -0.43 2.45 2.07 -1.06 -2.40 116.25 119.05 1xii h VAL 72 Ca 0.20 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.88 1xii h VAL 72 Cb 0.28 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1xii h VAL 72 CO -0.01 0.25 0.18 0.50 0.02 0.00 0.00 177.57 178.51 1xii h LYS 73 N -0.11 0.35 -0.90 1.57 3.64 -0.92 0.39 116.57 120.59 1xii h LYS 73 Ca 0.03 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1xii h LYS 73 Cb 0.40 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 1xii h LYS 73 CO 0.01 0.23 0.57 0.00 -2.27 0.00 0.00 179.45 177.99 1xii h ARG 74 N 0.36 1.02 0.10 1.90 3.08 -1.30 -1.12 114.38 118.43 1xii h ARG 74 Ca 0.20 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.18 1xii h ARG 74 Cb 0.16 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1xii h ARG 74 CO -0.18 0.68 -0.05 0.35 -1.07 0.00 0.00 179.97 179.70 1xii h PHE 75 N 1.05 -0.12 -0.81 3.04 3.57 -0.82 -2.04 116.94 120.81 1xii h PHE 75 Ca 0.38 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.99 1xii h PHE 75 Cb 0.13 0.04 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 1xii h PHE 75 CO -0.02 0.16 0.43 -0.09 -2.23 0.00 0.00 178.31 176.56 1xii h ARG 76 N -0.41 0.68 -0.43 1.11 9.65 -0.80 -0.08 114.38 124.11 1xii h ARG 76 Ca -0.01 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1xii h ARG 76 Cb 0.34 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.73 1xii h ARG 76 CO 0.02 0.45 0.20 0.37 2.80 0.00 0.00 179.97 183.81 1xii h GLN 77 N 0.70 0.39 -0.36 0.20 5.75 -1.07 -0.79 115.11 119.93 1xii h GLN 77 Ca 0.41 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.82 1xii h GLN 77 Cb 0.45 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1xii h GLN 77 CO -0.29 0.26 -0.04 0.00 -2.65 0.00 0.00 178.83 176.11 1xii h ALA 78 N 1.24 1.28 -0.41 3.38 0.00 -0.33 0.58 119.26 124.99 1xii h ALA 78 Ca 0.19 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1xii h ALA 78 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xii h ALA 78 CO -0.15 0.48 -0.25 -0.07 0.00 0.00 0.00 179.25 179.27 1xii h LEU 79 N 0.54 0.88 -0.85 0.00 3.38 -0.87 -1.72 115.31 116.67 1xii h LEU 79 Ca 0.11 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1xii h LEU 79 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1xii h LEU 79 CO 0.02 1.08 0.27 0.44 0.09 0.00 0.00 178.44 180.34 1xii h ASP 80 N 0.74 1.04 0.66 -0.43 3.32 -0.69 0.20 116.42 121.25 1xii h ASP 80 Ca 0.09 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 1xii h ASP 80 Cb 0.79 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1xii h ASP 80 CO 0.07 0.94 -0.46 0.44 -1.72 0.00 0.00 179.24 178.50 1xii h ASP 81 N 1.09 0.00 0.00 6.45 3.32 -0.62 -3.30 116.42 123.36 1xii h ASP 81 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1xii h ASP 81 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1xii h ASP 81 CO -0.02 0.46 -0.88 0.35 -1.72 0.00 0.00 179.24 177.43 1xii n THR 82 N -3.74 0.00 -1.05 0.35 -2.24 -0.67 -4.99 114.28 101.94 1xii n THR 82 Ca -0.01 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.50 1xii n THR 82 Cb 0.52 0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 1xii n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xii n GLY 83 N 1.51 0.51 3.79 3.38 0.00 0.67 -5.03 105.19 110.02 1xii n GLY 83 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 1xii n GLY 83 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xii s MET 84 N -1.12 4.23 0.45 1.61 -1.94 -1.11 -4.97 119.30 116.44 1xii s MET 84 Ca 0.00 1.33 0.07 0.00 -1.71 0.00 0.00 55.69 55.38 1xii s MET 84 Cb 0.00 -2.43 -0.01 0.00 2.01 0.00 0.00 34.83 34.40 1xii s MET 84 CO 0.00 -0.06 0.35 0.15 -0.01 0.00 0.00 175.02 175.46 1xii s LYS 85 N -2.70 2.39 -0.42 2.03 -0.14 -0.82 -4.78 119.74 115.30 1xii s LYS 85 Ca 0.59 -1.73 0.02 0.00 -1.36 0.00 0.00 55.97 53.48 1xii s LYS 85 Cb -0.17 -2.22 0.12 0.00 -1.68 0.00 0.00 37.83 33.88 1xii s LYS 85 CO 0.21 -0.30 0.19 0.08 -0.76 0.00 0.00 175.35 174.77 1xii s VAL 86 N -2.58 1.62 -0.61 3.17 1.01 -1.26 -1.04 120.40 120.71 1xii s VAL 86 Ca 0.43 -2.45 0.24 0.00 0.00 0.00 0.00 61.98 60.21 1xii s VAL 86 Cb -0.01 -2.15 0.10 0.00 0.00 0.00 0.00 36.38 34.32 1xii s VAL 86 CO 0.25 -0.80 1.39 -0.65 0.00 0.00 0.00 175.10 175.29 1xii h PRO 87 N 7.05 0.00 -3.22 2.72 0.11 -1.86 -2.98 132.00 133.83 1xii h PRO 87 Ca -0.05 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 1xii h PRO 87 Cb 0.95 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 31.83 1xii h PRO 87 CO 0.52 0.00 -0.40 1.41 -0.21 0.00 0.00 178.00 179.32 1xii s MET 88 N -3.18 0.45 0.14 1.05 -2.45 -1.26 -1.07 119.30 112.98 1xii s MET 88 Ca 0.06 -0.01 -0.03 0.00 -1.25 0.00 0.00 55.69 54.47 1xii s MET 88 Cb 0.12 0.20 -0.03 0.00 1.25 0.00 0.00 34.83 36.37 1xii s MET 88 CO 0.70 -0.10 0.11 0.00 1.05 0.00 0.00 175.02 176.78 1xii s ALA 89 N -0.69 0.67 0.32 4.11 0.00 -0.93 -3.72 121.76 121.52 1xii s ALA 89 Ca -0.08 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 50.44 1xii s ALA 89 Cb -0.04 0.88 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1xii s ALA 89 CO 0.02 -0.53 0.56 -0.08 0.00 0.00 0.00 175.76 175.73 1xii s THR 90 N -4.03 0.00 -0.01 0.00 -1.32 -0.11 -0.62 115.64 109.55 1xii s THR 90 Ca 0.23 -1.37 0.03 0.00 -1.21 0.00 0.00 61.69 59.37 1xii s THR 90 Cb 0.07 -2.51 -0.03 0.00 -1.51 0.00 0.00 72.50 68.51 1xii s THR 90 CO 0.02 0.00 -0.06 -0.89 -2.21 0.00 0.00 174.62 171.47 1xii s THR 91 N -3.27 3.69 -0.67 5.08 2.01 -1.26 -1.91 115.64 119.31 1xii s THR 91 Ca 0.23 -0.73 -0.25 0.00 0.31 0.00 0.00 61.69 61.25 1xii s THR 91 Cb -0.02 -2.59 0.04 0.00 0.01 0.00 0.00 72.50 69.94 1xii s THR 91 CO 0.14 0.42 1.13 0.21 -0.69 0.00 0.00 174.62 175.83 1xii s ASN 92 N -1.35 6.22 -0.42 3.53 3.84 -1.26 -4.85 114.94 120.64 1xii s ASN 92 Ca 0.17 -0.54 0.04 0.00 0.21 0.00 0.00 52.86 52.74 1xii s ASN 92 Cb -0.11 -2.50 0.45 0.00 -0.55 0.00 0.00 41.25 38.54 1xii s ASN 92 CO 0.07 -1.60 1.45 0.18 -2.79 0.00 0.00 177.10 174.41 1xii n LEU 93 N 8.52 5.77 0.00 3.21 4.77 -1.26 -4.74 117.00 133.26 1xii n LEU 93 Ca 0.01 -4.65 0.00 0.00 -0.03 0.00 0.00 56.01 51.34 1xii n LEU 93 Cb 0.48 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1xii n LEU 93 CO 0.68 1.93 0.00 2.22 -1.33 0.00 0.00 177.39 180.89 1xii n PHE 94 N -0.75 0.00 -0.04 -1.77 1.16 -1.26 -4.45 117.46 110.35 1xii n PHE 94 Ca 0.49 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.96 1xii n PHE 94 Cb 0.84 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.61 1xii n PHE 94 CO 0.00 0.00 0.00 1.15 -1.87 0.00 0.00 176.76 176.04 1xii h THR 95 N 0.00 1.40 -3.77 1.97 2.02 -1.94 -3.46 112.91 109.12 1xii h THR 95 Ca 0.00 -1.87 -0.53 0.00 0.77 0.00 0.00 66.41 64.78 1xii h THR 95 Cb 0.00 2.56 0.09 0.00 -1.74 0.00 0.00 68.15 69.06 1xii h THR 95 CO 0.00 0.44 0.77 -2.28 0.37 0.00 0.00 175.52 174.83 1xii s HIS 96 N -2.54 2.73 0.58 3.16 2.46 -1.26 -4.88 115.29 115.53 1xii s HIS 96 Ca -0.15 1.13 0.30 0.00 0.47 0.00 0.00 55.06 56.80 1xii s HIS 96 Cb -0.02 -3.96 1.44 0.00 -0.13 0.00 0.00 32.58 29.91 1xii s HIS 96 CO 0.57 -2.89 1.84 -1.35 -2.47 0.00 0.00 174.74 170.44 1xii h PRO 97 N 3.57 0.00 0.00 2.88 0.11 -2.03 -0.29 132.00 136.24 1xii h PRO 97 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1xii h PRO 97 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xii h PRO 97 CO 0.68 0.00 -0.03 -0.24 -0.21 0.00 0.00 178.00 178.20 1xii h VAL 98 N 0.00 0.70 -0.28 3.15 3.04 -1.96 -1.27 116.25 119.64 1xii h VAL 98 Ca 0.29 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1xii h VAL 98 Cb 1.48 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.83 1xii h VAL 98 CO -0.00 0.03 0.00 0.49 -1.01 0.00 0.00 177.57 177.08 1xii n PHE 99 N -4.04 0.52 0.28 3.17 3.72 -0.12 -4.56 117.46 116.43 1xii n PHE 99 Ca -0.03 -0.22 0.13 0.00 -0.05 0.00 0.00 57.45 57.28 1xii n PHE 99 Cb 0.12 -0.07 0.82 0.00 -0.94 0.00 0.00 39.48 39.40 1xii n PHE 99 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xii h LYS 100 N 1.69 0.00 -0.45 -1.08 2.10 -1.38 -0.50 116.57 116.94 1xii h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1xii h LYS 100 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.92 1xii h LYS 100 CO 0.06 0.03 0.00 -3.47 -2.00 0.00 0.00 179.45 174.07 1xii n ASP 101 N -3.94 3.44 0.00 7.07 2.03 -1.26 -5.03 116.55 118.85 1xii n ASP 101 Ca -0.03 -2.15 0.00 0.00 0.52 0.00 0.00 54.79 53.13 1xii n ASP 101 Cb 0.12 -0.36 0.00 0.00 -0.72 0.00 0.00 41.12 40.16 1xii n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xii n GLY 102 N 0.71 2.03 0.03 0.27 0.00 -0.20 -3.74 105.19 104.29 1xii n GLY 102 Ca 0.17 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1xii n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xii n GLY 103 N -1.12 -0.18 0.23 -0.02 0.00 -1.26 -4.24 105.19 98.60 1xii n GLY 103 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1xii n GLY 103 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1xii h PHE 104 N 0.00 0.00 -0.05 1.61 0.04 -1.90 -3.11 116.94 113.53 1xii h PHE 104 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1xii h PHE 104 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1xii h PHE 104 CO 0.00 0.17 -0.12 0.25 -0.60 0.00 0.00 178.31 178.01 1xii n THR 105 N -3.30 2.05 -1.68 -1.55 -2.24 -1.26 -4.42 114.28 101.88 1xii n THR 105 Ca 0.01 -2.49 -0.39 0.00 -2.27 0.00 0.00 64.05 58.90 1xii n THR 105 Cb 0.42 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1xii n THR 105 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xii n ALA 106 N -1.24 0.92 -0.13 6.98 0.00 -1.18 -4.83 120.51 121.04 1xii n ALA 106 Ca 0.18 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 1xii n ALA 106 Cb 0.70 -2.23 0.20 0.00 0.00 0.00 0.00 19.45 18.13 1xii n ALA 106 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1xii h ASN 107 N 1.31 0.76 -2.99 0.00 2.35 -1.93 -3.42 115.58 111.67 1xii h ASN 107 Ca -0.49 -0.13 -0.55 0.00 -0.55 0.00 0.00 56.30 54.58 1xii h ASN 107 Cb 1.32 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1xii h ASN 107 CO 0.56 0.74 0.80 -1.81 -1.65 0.00 0.00 177.43 176.07 1xii s ASP 108 N -6.58 6.97 0.28 5.81 1.01 -1.26 -4.92 116.67 117.98 1xii s ASP 108 Ca -0.10 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.01 1xii s ASP 108 Cb 0.16 -2.55 0.42 0.00 1.01 0.00 0.00 42.92 41.95 1xii s ASP 108 CO 0.80 -0.67 1.80 -0.09 0.21 0.00 0.00 175.17 177.21 1xii h ARG 109 N 7.82 0.71 -0.93 8.23 2.43 -2.00 -2.65 114.38 127.99 1xii h ARG 109 Ca -0.33 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1xii h ARG 109 Cb 1.15 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 1xii h ARG 109 CO 0.91 0.72 0.59 0.38 -1.51 0.00 0.00 179.97 181.06 1xii h ASP 110 N 0.67 1.08 -0.41 -3.80 2.03 -1.95 -1.52 116.42 112.51 1xii h ASP 110 Ca 0.13 -0.04 -0.07 0.00 -0.73 0.00 0.00 57.03 56.32 1xii h ASP 110 Cb 0.41 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.62 1xii h ASP 110 CO 0.02 0.81 -0.02 0.58 -1.03 0.00 0.00 179.24 179.59 1xii h VAL 111 N 1.27 1.26 -0.87 4.15 2.07 -1.86 -1.41 116.25 120.86 1xii h VAL 111 Ca 0.34 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1xii h VAL 111 Cb -0.11 1.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1xii h VAL 111 CO -0.07 0.36 0.54 0.03 0.02 0.00 0.00 177.57 178.46 1xii h ARG 112 N 0.57 0.97 -0.48 1.57 3.08 -1.02 0.28 114.38 119.35 1xii h ARG 112 Ca 0.11 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 1xii h ARG 112 Cb 0.52 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1xii h ARG 112 CO 0.03 0.64 -0.15 0.00 -1.07 0.00 0.00 179.97 179.41 1xii h ARG 113 N 1.00 0.95 -0.50 0.04 3.08 -1.04 -2.42 114.38 115.49 1xii h ARG 113 Ca 0.38 -0.38 0.04 0.00 0.07 0.00 0.00 59.98 60.08 1xii h ARG 113 Cb 0.15 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 1xii h ARG 113 CO -0.17 1.04 0.27 -0.92 -1.07 0.00 0.00 179.97 179.12 1xii h TYR 114 N 0.80 0.49 -0.90 3.04 3.20 -0.88 -1.09 116.97 121.62 1xii h TYR 114 Ca 0.12 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.06 1xii h TYR 114 Cb 0.72 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1xii h TYR 114 CO 0.05 0.26 0.57 0.00 -1.64 0.00 0.00 178.16 177.40 1xii h ALA 115 N 1.25 1.23 -0.40 1.82 0.00 -0.13 -0.27 119.26 122.78 1xii h ALA 115 Ca 0.21 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.95 1xii h ALA 115 Cb 0.09 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1xii h ALA 115 CO -0.13 0.35 -0.34 -0.07 0.00 0.00 0.00 179.25 179.06 1xii h LEU 116 N 1.05 0.99 -0.65 0.00 3.38 -0.95 -2.10 115.31 117.03 1xii h LEU 116 Ca 0.39 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1xii h LEU 116 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1xii h LEU 116 CO -0.16 1.23 0.25 0.03 0.09 0.00 0.00 178.44 179.88 1xii h ARG 117 N 0.75 0.98 -0.61 1.13 2.47 -0.67 0.28 114.38 118.71 1xii h ARG 117 Ca 0.07 -0.18 -0.08 0.00 -1.26 0.00 0.00 59.98 58.53 1xii h ARG 117 Cb 0.93 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 1xii h ARG 117 CO 0.09 0.82 0.07 -0.22 0.56 0.00 0.00 179.97 181.30 1xii h LYS 118 N 0.92 1.00 0.22 0.04 3.64 -0.97 -2.44 116.57 118.98 1xii h LYS 118 Ca 0.22 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1xii h LYS 118 Cb 0.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1xii h LYS 118 CO -0.02 0.94 -0.11 1.15 -2.27 0.00 0.00 179.45 179.14 1xii h THR 119 N 0.94 0.78 -0.36 1.00 2.02 -1.15 -3.00 112.91 113.14 1xii h THR 119 Ca 0.18 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1xii h THR 119 Cb 0.44 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1xii h THR 119 CO 0.01 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 176.24 1xii h ILE 120 N -0.30 1.23 -0.81 3.11 2.04 -0.81 -0.40 117.51 121.57 1xii h ILE 120 Ca -0.03 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1xii h ILE 120 Cb 0.23 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1xii h ILE 120 CO 0.05 0.33 0.44 -0.09 0.00 0.00 0.00 178.15 178.88 1xii h ARG 121 N 0.56 1.12 -0.01 2.37 2.43 -1.45 -2.42 114.38 116.99 1xii h ARG 121 Ca 0.11 -0.13 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 1xii h ARG 121 Cb 0.45 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1xii h ARG 121 CO 0.02 0.82 -0.81 -0.97 -1.51 0.00 0.00 179.97 177.52 1xii h ASN 122 N 1.13 0.20 -0.55 -3.80 -1.24 -1.23 -2.89 115.58 107.19 1xii h ASN 122 Ca 0.29 -0.15 0.06 0.00 0.71 0.00 0.00 56.30 57.20 1xii h ASN 122 Cb 0.02 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 38.96 1xii h ASN 122 CO -0.05 0.92 0.27 0.40 -1.29 0.00 0.00 177.43 177.69 1xii h ILE 123 N 0.09 0.93 -0.37 2.57 2.04 -0.63 0.12 117.51 122.25 1xii h ILE 123 Ca -0.03 -0.18 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1xii h ILE 123 Cb 1.41 0.36 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1xii h ILE 123 CO 0.12 0.09 0.08 0.44 0.00 0.00 0.00 178.15 178.88 1xii h ASP 124 N 0.52 0.01 -0.25 1.72 3.32 -1.37 -0.72 116.42 119.65 1xii h ASP 124 Ca 0.25 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 1xii h ASP 124 Cb 0.19 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1xii h ASP 124 CO -0.19 0.04 0.15 0.25 -1.72 0.00 0.00 179.24 177.78 1xii h LEU 125 N 0.20 0.30 -0.27 1.55 5.85 -1.25 -1.59 115.31 120.10 1xii h LEU 125 Ca 0.18 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.91 1xii h LEU 125 Cb 0.20 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1xii h LEU 125 CO -0.23 0.26 -0.17 0.00 -0.34 0.00 0.00 178.44 177.96 1xii h ALA 126 N 1.05 0.03 -0.48 1.25 0.00 -0.40 -1.22 119.26 119.49 1xii h ALA 126 Ca 0.09 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.18 1xii h ALA 126 Cb 0.01 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1xii h ALA 126 CO -0.02 -0.58 0.08 0.28 0.00 0.00 0.00 179.25 179.02 1xii h VAL 127 N -0.15 0.72 -0.95 0.00 2.07 -0.99 -0.36 116.25 116.59 1xii h VAL 127 Ca 0.15 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1xii h VAL 127 Cb 0.37 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 1xii h VAL 127 CO -0.36 0.04 0.62 -0.08 0.02 0.00 0.00 177.57 177.80 1xii h GLU 128 N 0.22 1.08 -0.01 1.57 4.81 -0.67 -1.41 114.58 120.17 1xii h GLU 128 Ca 0.24 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1xii h GLU 128 Cb 0.32 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1xii h GLU 128 CO -0.32 0.71 0.00 1.28 -0.73 0.00 0.00 179.01 179.95 1xii n LEU 129 N -4.49 0.60 0.00 1.64 4.77 -0.52 -4.92 117.00 114.08 1xii n LEU 129 Ca 0.14 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 1xii n LEU 129 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1xii n LEU 129 CO 0.33 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1xii n GLY 130 N 1.06 0.78 3.77 -0.72 0.00 -0.53 -4.48 105.19 105.07 1xii n GLY 130 Ca 0.22 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 1xii n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xii s ALA 131 N -2.00 3.23 -0.59 4.61 0.00 -0.21 -4.76 121.76 122.03 1xii s ALA 131 Ca 0.00 1.12 0.21 0.00 0.00 0.00 0.00 51.96 53.29 1xii s ALA 131 Cb 0.00 -3.44 -0.27 0.00 0.00 0.00 0.00 23.12 19.40 1xii s ALA 131 CO 0.00 -0.69 0.72 0.39 0.00 0.00 0.00 175.76 176.18 1xii n GLU 132 N 0.16 0.30 -4.51 0.00 4.71 -0.23 -4.62 120.64 116.46 1xii n GLU 132 Ca 0.04 -0.08 -0.21 0.00 -0.01 0.00 0.00 57.16 56.89 1xii n GLU 132 Cb 0.45 -1.50 -0.15 0.00 -1.01 0.00 0.00 31.44 29.22 1xii n GLU 132 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 1xii s THR 133 N -3.20 0.94 -0.19 2.62 2.01 -1.02 -2.04 115.64 114.76 1xii s THR 133 Ca 0.01 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1xii s THR 133 Cb 0.15 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1xii s THR 133 CO 0.88 0.28 -0.17 -0.47 -0.69 0.00 0.00 174.62 174.45 1xii s TYR 134 N -0.04 2.67 0.30 4.92 5.04 0.95 -2.18 117.35 129.01 1xii s TYR 134 Ca 0.00 -1.64 -0.12 0.00 -2.44 0.00 0.00 57.07 52.88 1xii s TYR 134 Cb -0.07 -1.82 -0.08 0.00 0.35 0.00 0.00 41.96 40.34 1xii s TYR 134 CO 0.00 -0.78 0.67 0.08 -1.34 0.00 0.00 175.55 174.18 1xii s VAL 135 N 1.32 4.80 -0.19 3.14 1.01 0.20 -0.61 120.40 130.07 1xii s VAL 135 Ca 0.03 0.69 -0.02 0.00 0.00 0.00 0.00 61.98 62.68 1xii s VAL 135 Cb -0.14 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1xii s VAL 135 CO -0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 175.10 174.79 1xii s ALA 136 N -1.98 1.26 -0.37 5.51 0.00 -0.28 -4.23 121.76 121.67 1xii s ALA 136 Ca 0.51 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 1xii s ALA 136 Cb -0.11 -1.19 0.06 0.00 0.00 0.00 0.00 23.12 21.88 1xii s ALA 136 CO 0.21 -1.06 0.17 -0.46 0.00 0.00 0.00 175.76 174.61 1xii s TRP 137 N 1.73 3.33 -1.28 0.00 -0.00 -1.26 -0.62 118.94 120.85 1xii s TRP 137 Ca -0.01 -1.63 -0.10 0.00 -0.00 0.00 0.00 56.10 54.35 1xii s TRP 137 Cb -0.17 -2.64 0.16 0.00 -0.00 0.00 0.00 33.47 30.82 1xii s TRP 137 CO -0.07 -0.81 1.81 0.41 -0.00 0.00 0.00 176.95 178.28 1xii n GLY 138 N 4.81 4.46 0.28 5.86 0.00 -1.26 -4.77 105.19 114.56 1xii n GLY 138 Ca -0.10 -2.05 0.17 0.00 0.00 0.00 0.00 46.02 44.04 1xii n GLY 138 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xii h GLY 139 N 8.38 0.00 -1.84 -0.02 0.00 -1.93 -2.53 103.07 105.12 1xii h GLY 139 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1xii h GLY 139 CO 1.56 0.00 0.00 0.54 0.00 0.00 0.00 176.54 178.64 1xii n ARG 140 N -3.09 2.28 -2.85 4.80 5.12 -1.26 -3.92 116.66 117.74 1xii n ARG 140 Ca 0.01 -1.90 -0.43 0.00 -1.93 0.00 0.00 57.85 53.59 1xii n ARG 140 Cb 0.31 -1.48 -0.04 0.00 -1.16 0.00 0.00 32.46 30.09 1xii n ARG 140 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xii s GLU 141 N -1.76 3.38 0.00 5.56 0.41 -0.96 -3.01 118.70 122.33 1xii s GLU 141 Ca 0.34 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.74 1xii s GLU 141 Cb 0.21 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 1xii s GLU 141 CO 0.31 -1.38 0.00 0.41 -0.49 0.00 0.00 175.26 174.10 1xii n GLY 142 N 5.06 -0.36 3.52 -1.39 0.00 -1.26 -0.93 105.19 109.83 1xii n GLY 142 Ca 0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1xii n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xii s ALA 143 N -1.00 -1.85 -0.66 4.61 0.00 -0.65 -4.90 121.76 117.32 1xii s ALA 143 Ca 0.00 1.16 0.18 0.00 0.00 0.00 0.00 51.96 53.30 1xii s ALA 143 Cb 0.00 0.15 -0.22 0.00 0.00 0.00 0.00 23.12 23.05 1xii s ALA 143 CO 0.00 -0.59 0.69 0.39 0.00 0.00 0.00 175.76 176.25 1xii n GLU 144 N 0.02 0.82 -4.00 0.00 4.71 -1.26 -1.26 120.64 119.67 1xii n GLU 144 Ca -0.09 -0.04 -0.08 0.00 -0.01 0.00 0.00 57.16 56.93 1xii n GLU 144 Cb 0.61 -1.39 -0.10 0.00 -1.01 0.00 0.00 31.44 29.55 1xii n GLU 144 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1xii s SER 145 N -3.11 0.31 0.25 1.62 1.04 -1.26 -4.95 113.70 107.60 1xii s SER 145 Ca 0.03 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.80 1xii s SER 145 Cb 0.13 0.19 0.30 0.00 0.10 0.00 0.00 66.02 66.75 1xii s SER 145 CO 0.77 -0.50 1.60 1.23 0.98 0.00 0.00 173.24 177.32 1xii h GLY 146 N 3.67 0.31 1.41 7.32 0.00 -1.95 -3.18 103.07 110.65 1xii h GLY 146 Ca -0.33 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.65 1xii h GLY 146 CO 0.54 0.31 -0.37 0.61 0.00 0.00 0.00 176.54 177.63 1xii n GLY 147 N 0.10 -1.43 0.25 4.60 0.00 -1.26 -3.97 105.19 103.48 1xii n GLY 147 Ca -0.02 -0.21 0.14 0.00 0.00 0.00 0.00 46.02 45.93 1xii n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xii h ALA 148 N 2.74 1.01 -2.95 4.61 0.00 -1.99 -3.43 119.26 119.26 1xii h ALA 148 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1xii h ALA 148 Cb 0.63 -0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.04 1xii h ALA 148 CO 0.00 0.10 -0.66 0.21 0.00 0.00 0.00 179.25 178.91 1xii s LYS 149 N -3.63 0.07 -0.33 0.00 2.47 -1.25 -5.00 119.74 112.07 1xii s LYS 149 Ca 0.01 0.35 -0.27 0.00 -1.56 0.00 0.00 55.97 54.51 1xii s LYS 149 Cb 0.09 -0.78 0.01 0.00 -1.46 0.00 0.00 37.83 35.69 1xii s LYS 149 CO 0.59 -0.46 0.99 0.34 0.16 0.00 0.00 175.35 176.97 1xii s ASP 150 N 2.27 6.82 0.26 1.43 -1.08 -1.26 -4.94 116.67 120.17 1xii s ASP 150 Ca 0.04 0.87 0.08 0.00 -0.52 0.00 0.00 52.55 53.03 1xii s ASP 150 Cb -0.14 -2.50 0.33 0.00 -1.46 0.00 0.00 42.92 39.15 1xii s ASP 150 CO -0.08 -0.83 1.60 0.58 0.52 0.00 0.00 175.17 176.96 1xii h VAL 151 N 5.73 1.42 -0.43 1.11 2.07 -1.98 -0.04 116.25 124.13 1xii h VAL 151 Ca -0.22 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.25 1xii h VAL 151 Cb 1.07 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 1xii h VAL 151 CO 0.99 0.59 0.28 0.03 0.02 0.00 0.00 177.57 179.49 1xii h ARG 152 N 0.06 0.57 -0.67 1.57 3.08 -1.99 0.39 114.38 117.39 1xii h ARG 152 Ca -0.01 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1xii h ARG 152 Cb 1.09 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1xii h ARG 152 CO 0.08 0.38 0.14 -0.44 -1.07 0.00 0.00 179.97 179.07 1xii h ASP 153 N 0.59 1.03 -0.74 7.04 3.32 -1.90 -1.30 116.42 124.45 1xii h ASP 153 Ca 0.16 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1xii h ASP 153 Cb -0.06 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.18 1xii h ASP 153 CO -0.03 1.00 0.42 0.00 -1.72 0.00 0.00 179.24 178.91 1xii h ALA 154 N 1.12 0.94 -0.28 3.45 0.00 -0.61 -1.19 119.26 122.70 1xii h ALA 154 Ca 0.21 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1xii h ALA 154 Cb 0.39 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xii h ALA 154 CO 0.01 0.44 -0.27 -0.07 0.00 0.00 0.00 179.25 179.36 1xii h LEU 155 N 1.01 0.57 -0.31 0.00 3.38 -0.66 0.69 115.31 120.00 1xii h LEU 155 Ca 0.26 -0.20 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xii h LEU 155 Cb 0.01 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1xii h LEU 155 CO -0.05 0.82 0.02 0.44 0.09 0.00 0.00 178.44 179.76 1xii h ASP 156 N 0.49 -0.09 -0.07 -0.43 3.32 -0.87 0.21 116.42 118.98 1xii h ASP 156 Ca 0.07 0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1xii h ASP 156 Cb 0.72 0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1xii h ASP 156 CO 0.06 -0.01 -0.17 0.03 -1.72 0.00 0.00 179.24 177.43 1xii h ARG 157 N 0.11 0.43 -0.24 3.56 2.47 -0.64 0.59 114.38 120.67 1xii h ARG 157 Ca 0.15 -0.13 -0.12 0.00 -1.26 0.00 0.00 59.98 58.61 1xii h ARG 157 Cb 0.19 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.46 1xii h ARG 157 CO -0.23 0.59 -0.33 1.98 0.56 0.00 0.00 179.97 182.54 1xii h MET 158 N 0.40 0.64 -0.49 0.04 4.05 -0.55 -1.53 114.93 117.48 1xii h MET 158 Ca 0.07 -0.37 -0.06 0.00 -0.28 0.00 0.00 59.70 59.06 1xii h MET 158 Cb 0.52 0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 1xii h MET 158 CO 0.03 0.98 0.08 -0.22 0.23 0.00 0.00 176.91 178.02 1xii h LYS 159 N 0.34 0.81 -0.65 0.39 3.64 -0.40 -1.91 116.57 118.80 1xii h LYS 159 Ca 0.03 -0.21 0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1xii h LYS 159 Cb 0.91 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1xii h LYS 159 CO 0.08 0.80 0.34 1.49 -2.27 0.00 0.00 179.45 179.89 1xii h GLU 160 N 0.68 0.61 0.04 1.90 4.81 -0.75 0.15 114.58 122.01 1xii h GLU 160 Ca 0.15 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1xii h GLU 160 Cb 0.38 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1xii h GLU 160 CO 0.01 0.40 -0.02 0.00 -0.73 0.00 0.00 179.01 178.67 1xii h ALA 161 N 1.35 -0.05 -0.38 2.92 0.00 -1.06 -1.57 119.26 120.47 1xii h ALA 161 Ca 0.30 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1xii h ALA 161 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1xii h ALA 161 CO -0.20 -0.47 -0.24 0.74 0.00 0.00 0.00 179.25 179.08 1xii h PHE 162 N -0.17 0.85 -0.53 0.00 0.04 -1.02 -1.17 116.94 114.95 1xii h PHE 162 Ca -0.01 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.56 1xii h PHE 162 Cb 0.15 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.07 1xii h PHE 162 CO -0.04 0.91 0.31 -0.44 -0.60 0.00 0.00 178.31 178.45 1xii h ASP 163 N 0.65 0.65 -0.83 2.17 3.32 -0.60 -1.36 116.42 120.42 1xii h ASP 163 Ca 0.09 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xii h ASP 163 Cb 0.74 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.09 1xii h ASP 163 CO 0.06 0.53 0.51 -0.07 -1.72 0.00 0.00 179.24 178.55 1xii h LEU 164 N 0.71 0.98 -1.01 1.55 3.38 -1.01 0.22 115.31 120.13 1xii h LEU 164 Ca 0.19 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xii h LEU 164 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1xii h LEU 164 CO -0.03 0.75 -0.08 -0.07 0.09 0.00 0.00 178.44 179.10 1xii h LEU 165 N 1.13 0.60 -0.33 1.67 3.38 -0.88 -1.13 115.31 119.75 1xii h LEU 165 Ca 0.30 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.92 1xii h LEU 165 Cb -0.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1xii h LEU 165 CO -0.06 0.73 -0.70 1.23 0.09 0.00 0.00 178.44 179.73 1xii h GLY 166 N 0.94 0.67 0.91 0.83 0.00 -0.75 -1.64 103.07 104.03 1xii h GLY 166 Ca 0.11 -0.90 0.02 0.00 0.00 0.00 0.00 47.33 46.56 1xii h GLY 166 CO 0.03 0.80 0.46 -2.09 0.00 0.00 0.00 176.54 175.74 1xii h GLU 167 N 0.43 0.88 0.17 4.80 4.81 -0.20 -2.60 114.58 122.87 1xii h GLU 167 Ca -0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 1xii h GLU 167 Cb 1.29 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1xii h GLU 167 CO 0.13 0.58 -0.08 -0.92 -0.73 0.00 0.00 179.01 178.00 1xii h TYR 168 N 0.91 -0.21 -0.69 0.92 3.20 -0.97 -0.71 116.97 119.43 1xii h TYR 168 Ca 0.28 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.09 1xii h TYR 168 Cb -0.02 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.29 1xii h TYR 168 CO -0.03 -0.09 0.19 -0.24 -1.64 0.00 0.00 178.16 176.35 1xii h VAL 169 N -0.27 1.25 -0.25 1.81 3.04 -1.26 -0.45 116.25 120.12 1xii h VAL 169 Ca -0.02 -0.91 -0.17 0.00 -1.01 0.00 0.00 66.70 64.59 1xii h VAL 169 Cb 0.21 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.01 1xii h VAL 169 CO 0.04 0.35 -0.53 0.71 -1.01 0.00 0.00 177.57 177.13 1xii h THR 170 N 1.02 1.29 -0.55 3.17 1.35 -1.42 -0.27 112.91 117.51 1xii h THR 170 Ca 0.22 -1.74 -0.04 0.00 -0.55 0.00 0.00 66.41 64.30 1xii h THR 170 Cb 0.32 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 1xii h THR 170 CO -0.00 0.56 0.17 0.77 -0.25 0.00 0.00 175.52 176.76 1xii h SER 171 N 0.56 0.76 0.79 5.36 4.64 -0.63 -0.98 113.55 124.05 1xii h SER 171 Ca 0.02 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1xii h SER 171 Cb 1.10 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1xii h SER 171 CO 0.11 0.72 -0.26 0.00 -0.87 0.00 0.00 176.83 176.52 1xii n GLN 172 N -4.30 0.03 -2.25 4.77 1.13 -0.22 -4.93 117.38 111.61 1xii n GLN 172 Ca 0.04 0.02 -0.15 0.00 -1.94 0.00 0.00 57.00 54.97 1xii n GLN 172 Cb 0.20 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.01 1xii n GLN 172 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xii n GLY 173 N 1.48 -0.18 3.83 1.08 0.00 -0.37 -5.00 105.19 106.03 1xii n GLY 173 Ca 0.06 -0.27 -0.33 0.00 0.00 0.00 0.00 46.02 45.48 1xii n GLY 173 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xii s TYR 174 N -2.72 3.33 -1.12 1.61 2.02 -0.26 -5.00 117.35 115.21 1xii s TYR 174 Ca 0.00 1.51 -0.08 0.00 -0.37 0.00 0.00 57.07 58.13 1xii s TYR 174 Cb 0.00 -2.77 0.28 0.00 -0.40 0.00 0.00 41.96 39.07 1xii s TYR 174 CO 0.00 -0.06 1.29 -0.25 -1.57 0.00 0.00 175.55 174.97 1xii n ASP 175 N -0.57 5.81 -3.80 2.29 8.00 -1.26 -4.76 116.55 122.26 1xii n ASP 175 Ca 0.06 -3.17 -0.13 0.00 0.71 0.00 0.00 54.79 52.27 1xii n ASP 175 Cb 0.54 -1.36 -0.12 0.00 -0.02 0.00 0.00 41.12 40.16 1xii n ASP 175 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1xii s ILE 176 N -1.59 -0.00 0.34 0.53 2.07 -1.26 -4.72 121.20 116.56 1xii s ILE 176 Ca 0.32 0.02 0.09 0.00 -1.41 0.00 0.00 60.65 59.67 1xii s ILE 176 Cb -0.04 -0.26 -0.06 0.00 0.13 0.00 0.00 42.46 42.23 1xii s ILE 176 CO -0.01 0.01 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.84 1xii s ARG 177 N 0.20 1.92 0.06 3.50 0.52 -0.87 -4.99 118.95 119.29 1xii s ARG 177 Ca -0.01 -1.85 0.02 0.00 -0.52 0.00 0.00 55.73 53.38 1xii s ARG 177 Cb -0.02 -1.80 -0.04 0.00 0.52 0.00 0.00 34.95 33.61 1xii s ARG 177 CO -0.00 0.16 0.09 -0.06 0.02 0.00 0.00 175.30 175.50 1xii s PHE 178 N -2.56 3.23 -0.12 -0.53 0.08 0.47 -0.04 117.98 118.51 1xii s PHE 178 Ca 0.33 0.11 -0.01 0.00 0.12 0.00 0.00 56.93 57.48 1xii s PHE 178 Cb 0.01 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 1xii s PHE 178 CO 0.18 0.53 -0.02 0.00 -0.10 0.00 0.00 175.22 175.80 1xii s ALA 179 N -1.36 1.07 0.03 5.36 0.00 0.22 -0.67 121.76 126.41 1xii s ALA 179 Ca 0.28 -0.47 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 1xii s ALA 179 Cb -0.12 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.01 1xii s ALA 179 CO 0.21 -0.63 0.64 0.42 0.00 0.00 0.00 175.76 176.40 1xii s ILE 180 N 1.82 4.81 -0.22 0.00 1.01 -0.03 -1.12 121.20 127.46 1xii s ILE 180 Ca 0.03 1.35 -0.05 0.00 0.00 0.00 0.00 60.65 61.98 1xii s ILE 180 Cb -0.14 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.34 1xii s ILE 180 CO -0.07 0.44 -0.01 -0.70 0.00 0.00 0.00 174.94 174.60 1xii s GLU 181 N -0.37 3.47 0.47 2.79 2.12 0.21 -0.91 118.70 126.49 1xii s GLU 181 Ca 0.32 -0.58 -0.10 0.00 0.36 0.00 0.00 54.97 54.97 1xii s GLU 181 Cb -0.19 -3.09 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 1xii s GLU 181 CO 0.19 -0.16 0.85 -2.14 -0.54 0.00 0.00 175.26 173.45 1xii s PRO 182 N 1.44 3.73 -0.24 4.30 0.02 -1.26 -4.36 135.00 138.62 1xii s PRO 182 Ca 0.05 0.53 -0.23 0.00 0.02 0.00 0.00 61.00 61.37 1xii s PRO 182 Cb -0.14 -2.30 0.06 0.00 0.02 0.00 0.00 34.50 32.14 1xii s PRO 182 CO -0.01 -0.19 0.66 0.21 -0.33 0.00 0.00 177.00 177.33 1xii s LYS 183 N -4.29 0.77 0.07 5.54 2.20 -1.23 -4.68 119.74 118.11 1xii s LYS 183 Ca 0.52 0.90 0.11 0.00 -0.36 0.00 0.00 55.97 57.15 1xii s LYS 183 Cb -0.10 0.37 -0.18 0.00 -1.51 0.00 0.00 37.83 36.41 1xii s LYS 183 CO 0.38 -0.09 0.99 -1.00 -0.36 0.00 0.00 175.35 175.27 1xii h PRO 184 N 5.08 0.00 -2.73 4.03 0.13 -1.70 -3.39 132.00 133.42 1xii h PRO 184 Ca -0.29 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.94 1xii h PRO 184 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 1xii h PRO 184 CO 0.09 0.65 0.33 0.54 -0.23 0.00 0.00 178.00 179.38 1xii s ASN 185 N -6.31 -0.28 0.00 1.44 4.22 -1.26 -1.61 114.94 111.14 1xii s ASN 185 Ca -0.01 -0.42 0.00 0.00 -2.14 0.00 0.00 52.86 50.28 1xii s ASN 185 Cb 0.09 0.61 0.00 0.00 1.28 0.00 0.00 41.25 43.23 1xii s ASN 185 CO 0.81 -1.10 0.00 1.21 -2.04 0.00 0.00 177.10 175.98 1xii n GLU 186 N -0.44 0.00 0.04 3.55 2.13 -1.26 -4.85 120.64 119.81 1xii n GLU 186 Ca -0.07 0.48 0.12 0.00 0.66 0.00 0.00 57.16 58.35 1xii n GLU 186 Cb 0.60 -0.64 0.13 0.00 0.27 0.00 0.00 31.44 31.80 1xii n GLU 186 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xii n PRO 187 N 0.11 0.26 -2.41 5.31 -0.04 -1.26 -5.03 135.00 131.94 1xii n PRO 187 Ca 0.00 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 1xii n PRO 187 Cb 0.00 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.80 1xii n PRO 187 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1xii s ARG 188 N -3.16 3.92 0.23 0.54 1.81 -1.25 -4.99 118.95 116.06 1xii s ARG 188 Ca 0.06 0.91 -0.06 0.00 -1.72 0.00 0.00 55.73 54.92 1xii s ARG 188 Cb 0.14 -2.15 0.36 0.00 -0.45 0.00 0.00 34.95 32.85 1xii s ARG 188 CO 0.75 -0.27 1.77 0.78 -0.68 0.00 0.00 175.30 177.66 1xii h GLY 189 N 0.89 1.10 -5.87 -3.53 0.00 -1.89 -3.41 103.07 90.37 1xii h GLY 189 Ca -0.47 -0.22 -0.25 0.00 0.00 0.00 0.00 47.33 46.39 1xii h GLY 189 CO 0.62 0.04 -0.72 0.99 0.00 0.00 0.00 176.54 177.47 1xii s ASP 190 N -5.48 0.02 -0.07 0.19 1.01 -0.39 -4.69 116.67 107.26 1xii s ASP 190 Ca -0.13 0.02 -0.02 0.00 0.71 0.00 0.00 52.55 53.14 1xii s ASP 190 Cb 0.18 -0.01 -0.03 0.00 1.01 0.00 0.00 42.92 44.07 1xii s ASP 190 CO 0.76 -0.04 0.02 -0.63 0.21 0.00 0.00 175.17 175.49 1xii s ILE 191 N 0.36 4.41 0.52 0.77 1.01 -0.63 -1.63 121.20 126.00 1xii s ILE 191 Ca -0.03 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.14 1xii s ILE 191 Cb -0.04 -2.89 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 1xii s ILE 191 CO -0.01 0.55 1.09 -0.76 0.00 0.00 0.00 174.94 175.81 1xii s LEU 192 N -1.07 3.79 -0.92 2.97 1.43 -0.11 -3.62 118.68 121.15 1xii s LEU 192 Ca 0.15 2.07 -0.08 0.00 -1.03 0.00 0.00 54.13 55.24 1xii s LEU 192 Cb -0.11 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.52 1xii s LEU 192 CO 0.05 -1.02 0.73 0.18 0.23 0.00 0.00 176.35 176.51 1xii n LEU 193 N -1.15 -4.19 0.13 1.79 4.77 -1.26 -4.80 117.00 112.29 1xii n LEU 193 Ca 0.11 -0.66 0.13 0.00 -0.03 0.00 0.00 56.01 55.55 1xii n LEU 193 Cb 0.52 -2.59 0.40 0.00 -2.33 0.00 0.00 43.42 39.41 1xii n LEU 193 CO 0.41 -0.11 0.88 1.55 -1.33 0.00 0.00 177.39 178.78 1xii h PRO 194 N -0.66 0.00 -4.85 3.23 0.13 -1.75 -3.32 132.00 124.78 1xii h PRO 194 Ca -0.43 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 1xii h PRO 194 Cb 1.25 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 1xii h PRO 194 CO 0.39 0.00 -0.60 0.95 -0.23 0.00 0.00 178.00 178.51 1xii s THR 195 N -3.18 0.45 0.21 1.56 -4.23 -1.26 -2.35 115.64 106.85 1xii s THR 195 Ca 0.09 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.50 1xii s THR 195 Cb 0.11 -2.60 0.15 0.00 1.34 0.00 0.00 72.50 71.50 1xii s THR 195 CO 0.57 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.97 1xii h VAL 196 N 2.38 0.76 -0.08 2.29 2.07 -1.92 -1.99 116.25 119.75 1xii h VAL 196 Ca -0.37 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.02 1xii h VAL 196 Cb 1.25 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1xii h VAL 196 CO 0.58 0.07 0.00 1.23 0.02 0.00 0.00 177.57 179.48 1xii h GLY 197 N 0.40 0.08 0.36 2.17 0.00 -1.96 -0.53 103.07 103.58 1xii h GLY 197 Ca 0.31 0.01 0.10 0.00 0.00 0.00 0.00 47.33 47.74 1xii h GLY 197 CO -0.32 -0.01 0.20 0.45 0.00 0.00 0.00 176.54 176.86 1xii h HIS 198 N 0.03 0.33 -0.38 5.60 -0.00 -1.82 -1.26 115.15 117.66 1xii h HIS 198 Ca 0.04 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.37 1xii h HIS 198 Cb 0.04 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.38 1xii h HIS 198 CO -0.12 0.07 -0.01 0.00 -0.00 0.00 0.00 177.93 177.86 1xii h ALA 199 N 1.42 0.52 -0.85 2.45 0.00 -1.21 -1.90 119.26 119.70 1xii h ALA 199 Ca 0.30 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xii h ALA 199 Cb 0.39 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1xii h ALA 199 CO -0.32 0.30 0.53 -0.07 0.00 0.00 0.00 179.25 179.69 1xii h LEU 200 N 0.50 1.00 -0.42 0.00 3.38 -0.68 -1.85 115.31 117.24 1xii h LEU 200 Ca 0.11 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1xii h LEU 200 Cb 0.49 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1xii h LEU 200 CO 0.02 0.75 -0.50 0.00 0.09 0.00 0.00 178.44 178.81 1xii h ALA 201 N 1.29 0.60 -0.50 1.53 0.00 -1.11 -3.02 119.26 118.05 1xii h ALA 201 Ca 0.31 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1xii h ALA 201 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xii h ALA 201 CO -0.06 0.68 0.26 0.35 0.00 0.00 0.00 179.25 180.48 1xii h PHE 202 N 0.60 0.69 -0.86 0.00 3.57 -0.95 -2.82 116.94 117.17 1xii h PHE 202 Ca 0.03 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.66 1xii h PHE 202 Cb 1.07 -0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.53 1xii h PHE 202 CO 0.06 0.52 0.56 0.82 -2.23 0.00 0.00 178.31 178.04 1xii h ILE 203 N 0.66 0.80 0.00 1.41 2.04 -1.22 -1.22 117.51 119.97 1xii h ILE 203 Ca 0.17 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1xii h ILE 203 Cb 0.07 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1xii h ILE 203 CO -0.03 0.11 0.00 -0.62 0.00 0.00 0.00 178.15 177.61 1xii n GLU 204 N -4.54 0.10 -0.14 2.37 -0.58 -1.06 -1.50 120.64 115.29 1xii n GLU 204 Ca 0.17 0.34 0.12 0.00 -0.42 0.00 0.00 57.16 57.37 1xii n GLU 204 Cb 0.52 -1.69 0.22 0.00 -0.57 0.00 0.00 31.44 29.92 1xii n GLU 204 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1xii n ARG 205 N -1.87 2.38 -1.97 3.49 5.12 -0.46 -4.96 116.66 118.38 1xii n ARG 205 Ca 0.03 -2.07 -0.31 0.00 -1.93 0.00 0.00 57.85 53.57 1xii n ARG 205 Cb 0.20 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1xii n ARG 205 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1xii s LEU 206 N -1.60 3.28 0.26 0.55 1.43 -0.56 -4.97 118.68 117.07 1xii s LEU 206 Ca 0.36 1.38 -0.04 0.00 -1.03 0.00 0.00 54.13 54.80 1xii s LEU 206 Cb 0.22 -4.42 0.30 0.00 0.03 0.00 0.00 46.19 42.33 1xii s LEU 206 CO 0.31 -0.83 1.86 -0.33 0.23 0.00 0.00 176.35 177.59 1xii h GLU 207 N -0.21 1.09 -2.68 1.70 4.39 -1.93 -3.32 114.58 113.62 1xii h GLU 207 Ca -0.44 -0.15 -0.60 0.00 0.34 0.00 0.00 59.36 58.50 1xii h GLU 207 Cb 1.19 -0.20 -0.40 0.00 -0.10 0.00 0.00 28.75 29.24 1xii h GLU 207 CO 0.62 0.84 -0.77 0.54 -1.16 0.00 0.00 179.01 179.08 1xii n ARG 208 N -4.32 1.14 0.20 2.33 1.74 -1.26 -4.97 116.66 111.52 1xii n ARG 208 Ca 0.07 -3.90 0.18 0.00 -0.77 0.00 0.00 57.85 53.44 1xii n ARG 208 Cb 0.14 -1.98 0.82 0.00 -1.02 0.00 0.00 32.46 30.42 1xii n ARG 208 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1xii h PRO 209 N 5.34 0.00 0.00 5.56 0.11 -1.79 -2.22 132.00 138.99 1xii h PRO 209 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1xii h PRO 209 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1xii h PRO 209 CO 0.57 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.41 1xii h GLU 210 N 0.00 0.00 -0.00 1.05 9.09 -1.93 -2.14 114.58 120.65 1xii h GLU 210 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 1xii h GLU 210 Cb 0.72 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.82 1xii h GLU 210 CO -0.00 0.00 -0.03 1.28 0.05 0.00 0.00 179.01 180.30 1xii n LEU 211 N -2.49 0.11 -4.11 3.06 4.77 -0.84 -4.87 117.00 112.64 1xii n LEU 211 Ca 0.02 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 1xii n LEU 211 Cb 0.28 -0.27 -0.15 0.00 -2.33 0.00 0.00 43.42 40.95 1xii n LEU 211 CO 0.23 0.02 -0.47 -0.31 -1.33 0.00 0.00 177.39 175.53 1xii s TYR 212 N -2.58 1.23 0.00 -1.77 1.51 -0.81 -0.39 117.35 114.54 1xii s TYR 212 Ca 0.28 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.09 1xii s TYR 212 Cb 0.20 -0.79 0.00 0.00 -0.11 0.00 0.00 41.96 41.26 1xii s TYR 212 CO 0.47 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.31 1xii n GLY 213 N 2.66 5.25 3.47 0.71 0.00 0.16 -4.98 105.19 112.46 1xii n GLY 213 Ca -0.14 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1xii n GLY 213 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xii s VAL 214 N -0.96 2.65 -0.63 1.61 -7.23 -0.25 -0.85 120.40 114.74 1xii s VAL 214 Ca 0.00 -1.80 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 1xii s VAL 214 Cb 0.00 -2.26 0.16 0.00 0.56 0.00 0.00 36.38 34.84 1xii s VAL 214 CO 0.00 -0.05 0.41 0.21 -0.31 0.00 0.00 175.10 175.37 1xii s ASN 215 N -2.53 4.43 0.56 4.85 2.47 -0.09 -2.78 114.94 121.85 1xii s ASN 215 Ca 0.20 -3.53 -0.19 0.00 0.42 0.00 0.00 52.86 49.77 1xii s ASN 215 Cb -0.09 -1.53 -0.05 0.00 -1.45 0.00 0.00 41.25 38.13 1xii s ASN 215 CO 0.11 -0.14 1.11 -2.84 -3.72 0.00 0.00 177.10 171.63 1xii s PRO 216 N -0.97 3.31 -0.05 0.43 0.02 -1.26 -4.32 135.00 132.17 1xii s PRO 216 Ca 0.23 1.54 0.06 0.00 0.02 0.00 0.00 61.00 62.85 1xii s PRO 216 Cb -0.11 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.39 1xii s PRO 216 CO -0.12 -0.87 -0.24 -2.00 -0.33 0.00 0.00 177.00 173.44 1xii s GLU 217 N -3.43 2.44 0.13 5.54 2.12 -1.26 -0.43 118.70 123.82 1xii s GLU 217 Ca 0.71 -0.90 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 1xii s GLU 217 Cb -0.22 -2.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.96 1xii s GLU 217 CO 0.29 0.44 1.58 0.28 -0.54 0.00 0.00 175.26 177.31 1xii h VAL 218 N 4.86 0.13 -0.12 3.70 2.07 -1.61 -2.12 116.25 123.16 1xii h VAL 218 Ca -0.36 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1xii h VAL 218 Cb 1.16 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1xii h VAL 218 CO 0.47 0.00 -0.10 1.23 0.02 0.00 0.00 177.57 179.19 1xii h GLY 219 N -0.49 0.20 0.86 2.17 0.00 -1.86 -2.88 103.07 101.07 1xii h GLY 219 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1xii h GLY 219 CO -0.41 0.11 -0.09 0.45 0.00 0.00 0.00 176.54 176.60 1xii h HIS 220 N 0.18 0.59 -0.21 5.60 3.86 -1.73 -0.40 115.15 123.05 1xii h HIS 220 Ca 0.04 -0.14 -0.10 0.00 -1.16 0.00 0.00 60.37 59.02 1xii h HIS 220 Cb 0.30 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1xii h HIS 220 CO 0.00 0.75 -0.29 0.93 0.86 0.00 0.00 177.93 180.19 1xii h GLU 221 N 0.26 0.41 0.00 2.45 4.39 -1.51 -2.39 114.58 118.20 1xii h GLU 221 Ca 0.06 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 1xii h GLU 221 Cb 0.58 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1xii h GLU 221 CO 0.03 0.67 -0.02 1.96 -1.16 0.00 0.00 179.01 180.49 1xii h GLN 222 N 0.36 0.00 0.00 2.33 4.20 -1.24 -1.58 115.11 119.19 1xii h GLN 222 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1xii h GLN 222 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1xii h GLN 222 CO 0.05 0.02 0.00 0.52 -0.67 0.00 0.00 178.83 178.75 1xii h MET 223 N 0.00 0.00 -0.53 1.46 2.86 -0.53 -0.47 114.93 117.73 1xii h MET 223 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1xii h MET 223 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 1xii h MET 223 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1xii n ALA 224 N -1.92 2.28 -1.31 6.32 0.00 -0.67 -4.72 120.51 120.48 1xii n ALA 224 Ca -0.01 -1.22 -0.11 0.00 0.00 0.00 0.00 53.44 52.09 1xii n ALA 224 Cb 0.10 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 1xii n ALA 224 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xii n GLY 225 N 1.03 1.19 3.94 0.00 0.00 -0.18 -5.02 105.19 106.16 1xii n GLY 225 Ca 0.18 -0.45 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1xii n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xii s LEU 226 N -2.44 3.60 -0.42 0.99 1.43 -0.75 -4.99 118.68 116.09 1xii s LEU 226 Ca 0.00 0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 53.26 1xii s LEU 226 Cb 0.00 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 42.98 1xii s LEU 226 CO 0.00 -0.73 0.80 0.21 0.23 0.00 0.00 176.35 176.86 1xii s ASN 227 N -4.22 6.46 0.10 2.29 3.84 -1.26 -4.32 114.94 117.84 1xii s ASN 227 Ca 0.49 0.06 -0.23 0.00 0.21 0.00 0.00 52.86 53.39 1xii s ASN 227 Cb -0.10 -2.40 -0.12 0.00 -0.55 0.00 0.00 41.25 38.08 1xii s ASN 227 CO 0.39 -0.87 1.73 0.15 -2.79 0.00 0.00 177.10 175.70 1xii h PHE 228 N 8.84 -0.06 -0.92 0.43 3.57 -1.91 -2.29 116.94 124.60 1xii h PHE 228 Ca -0.25 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.36 1xii h PHE 228 Cb 1.09 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.79 1xii h PHE 228 CO 0.81 -0.04 0.59 -1.35 -2.23 0.00 0.00 178.31 176.08 1xii h PRO 229 N -0.03 0.87 -0.76 6.41 0.11 -1.92 -0.57 132.00 136.10 1xii h PRO 229 Ca 0.02 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1xii h PRO 229 Cb 0.06 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 30.94 1xii h PRO 229 CO -0.05 0.57 0.29 0.45 -0.21 0.00 0.00 178.00 179.06 1xii h HIS 230 N 0.89 1.17 -0.31 0.65 3.86 -1.92 -0.43 115.15 119.07 1xii h HIS 230 Ca 0.44 -0.09 -0.13 0.00 -1.16 0.00 0.00 60.37 59.42 1xii h HIS 230 Cb 0.46 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 1xii h HIS 230 CO -0.00 0.90 -0.33 0.78 0.86 0.00 0.00 177.93 180.13 1xii h GLY 231 N 1.11 0.74 1.12 2.45 0.00 -0.72 -1.60 103.07 106.16 1xii h GLY 231 Ca 0.25 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1xii h GLY 231 CO -0.02 0.63 0.17 -2.22 0.00 0.00 0.00 176.54 175.10 1xii h ILE 232 N 0.57 1.26 -0.86 2.60 1.08 -0.98 -1.38 117.51 119.80 1xii h ILE 232 Ca 0.06 -0.95 -0.03 0.00 -0.39 0.00 0.00 64.86 63.55 1xii h ILE 232 Cb 0.85 0.54 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 1xii h ILE 232 CO 0.07 0.36 0.42 0.00 -0.69 0.00 0.00 178.15 178.31 1xii h ALA 233 N 1.14 1.12 -0.55 1.87 0.00 -0.72 0.11 119.26 122.23 1xii h ALA 233 Ca 0.22 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 1xii h ALA 233 Cb 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xii h ALA 233 CO 0.00 0.67 -0.01 0.37 0.00 0.00 0.00 179.25 180.28 1xii h GLN 234 N 1.22 0.98 -0.71 0.00 4.15 -0.97 0.27 115.11 120.06 1xii h GLN 234 Ca 0.30 -0.32 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1xii h GLN 234 Cb 0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 1xii h GLN 234 CO -0.04 0.99 0.19 0.00 -1.93 0.00 0.00 178.83 178.04 1xii h ALA 235 N 0.96 0.93 -0.23 3.38 0.00 -0.63 -1.43 119.26 122.23 1xii h ALA 235 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1xii h ALA 235 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xii h ALA 235 CO 0.03 0.65 0.10 -0.07 0.00 0.00 0.00 179.25 179.95 1xii h LEU 236 N 1.06 0.32 -1.10 0.00 3.38 -0.54 0.28 115.31 118.71 1xii h LEU 236 Ca 0.22 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1xii h LEU 236 Cb 0.35 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1xii h LEU 236 CO -0.00 0.39 0.61 -0.25 0.09 0.00 0.00 178.44 179.28 1xii h TRP 237 N 0.23 1.05 -0.00 1.13 7.01 -0.23 -1.11 115.95 124.03 1xii h TRP 237 Ca 0.08 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.11 1xii h TRP 237 Cb 0.16 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 1xii h TRP 237 CO -0.01 0.44 -0.03 0.00 -2.79 0.00 0.00 178.44 176.04 1xii n ALA 238 N -2.38 2.61 -1.82 2.65 0.00 -0.56 -4.92 120.51 116.10 1xii n ALA 238 Ca 0.17 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.34 1xii n ALA 238 Cb 0.35 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1xii n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xii n GLY 239 N 1.22 0.39 0.04 0.00 0.00 -0.42 -4.95 105.19 101.47 1xii n GLY 239 Ca 0.17 -0.59 0.06 0.00 0.00 0.00 0.00 46.02 45.66 1xii n GLY 239 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xii n LYS 240 N -2.15 1.94 -2.45 1.61 4.76 0.05 -4.91 118.16 117.02 1xii n LYS 240 Ca -0.09 -2.15 -0.38 0.00 -2.87 0.00 0.00 58.31 52.82 1xii n LYS 240 Cb 0.46 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.33 1xii n LYS 240 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xii s LEU 241 N -2.13 3.49 0.11 -0.35 2.96 -1.22 -1.09 118.68 120.45 1xii s LEU 241 Ca 0.19 -1.57 0.11 0.00 -0.22 0.00 0.00 54.13 52.64 1xii s LEU 241 Cb 0.17 -2.57 -0.14 0.00 0.50 0.00 0.00 46.19 44.14 1xii s LEU 241 CO 0.02 -1.74 1.11 -0.26 -1.32 0.00 0.00 176.35 174.16 1xii h PHE 242 N 9.51 0.00 -2.62 5.38 -1.00 -1.87 -3.48 116.94 122.87 1xii h PHE 242 Ca 0.24 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.15 1xii h PHE 242 Cb 0.97 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.46 1xii h PHE 242 CO 1.30 0.83 0.38 -1.58 -1.61 0.00 0.00 178.31 177.63 1xii s HIS 243 N -2.77 -0.18 -0.03 -0.55 2.46 -1.20 -4.85 115.29 108.17 1xii s HIS 243 Ca -0.00 -0.17 -0.17 0.00 0.47 0.00 0.00 55.06 55.19 1xii s HIS 243 Cb 0.09 0.66 0.03 0.00 -0.13 0.00 0.00 32.58 33.23 1xii s HIS 243 CO 0.80 -0.97 0.36 -1.50 -2.47 0.00 0.00 174.74 170.97 1xii s ILE 244 N -3.54 0.05 -0.18 0.89 2.07 -1.26 -4.09 121.20 115.14 1xii s ILE 244 Ca 0.11 -0.38 -0.02 0.00 -1.41 0.00 0.00 60.65 58.95 1xii s ILE 244 Cb -0.03 -0.66 -0.00 0.00 0.13 0.00 0.00 42.46 41.89 1xii s ILE 244 CO 0.03 -0.21 -0.10 -1.81 -1.91 0.00 0.00 174.94 170.94 1xii s ASP 245 N -1.22 3.98 -0.13 4.50 1.11 0.43 -3.53 116.67 121.81 1xii s ASP 245 Ca -0.12 -0.42 -0.04 0.00 0.18 0.00 0.00 52.55 52.15 1xii s ASP 245 Cb -0.04 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.26 1xii s ASP 245 CO 0.05 0.04 -0.00 -0.76 1.18 0.00 0.00 175.17 175.68 1xii s LEU 246 N 1.10 3.51 0.00 1.23 1.43 0.60 -1.60 118.68 124.94 1xii s LEU 246 Ca 0.00 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1xii s LEU 246 Cb -0.15 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.24 1xii s LEU 246 CO -0.02 0.25 0.00 -0.46 0.23 0.00 0.00 176.35 176.35 1xii n ASN 247 N 2.97 0.00 -4.03 2.29 0.23 -1.26 -2.28 115.26 113.18 1xii n ASN 247 Ca -0.18 -0.28 -0.08 0.00 -0.53 0.00 0.00 54.58 53.51 1xii n ASN 247 Cb 0.53 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.13 1xii n ASN 247 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1xii s GLY 248 N -0.93 0.36 -0.19 4.83 0.00 -0.19 -4.45 107.32 106.76 1xii s GLY 248 Ca 0.00 -0.98 -0.15 0.00 0.00 0.00 0.00 44.72 43.59 1xii s GLY 248 CO 0.00 -1.10 0.48 1.62 0.00 0.00 0.00 173.10 174.10 1xii s GLN 249 N -3.43 0.54 -1.11 2.90 2.00 -1.26 -1.20 119.66 118.09 1xii s GLN 249 Ca 0.02 0.73 -0.08 0.00 -2.00 0.00 0.00 55.36 54.04 1xii s GLN 249 Cb 0.04 0.20 0.28 0.00 0.80 0.00 0.00 33.01 34.34 1xii s GLN 249 CO -0.08 -0.09 1.19 0.09 -0.50 0.00 0.00 175.29 175.90 1xii n ASN 250 N 3.23 5.69 0.00 6.67 3.02 -1.26 -3.45 115.26 129.16 1xii n ASN 250 Ca -0.16 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.28 1xii n ASN 250 Cb 0.56 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 1xii n ASN 250 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xii n GLY 251 N 2.44 -0.89 3.45 7.41 0.00 -1.26 -4.69 105.19 111.64 1xii n GLY 251 Ca 0.25 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 1xii n GLY 251 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xii s ILE 252 N 0.00 4.58 0.01 -0.61 1.01 -1.26 -4.36 121.20 120.57 1xii s ILE 252 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 1xii s ILE 252 Cb 0.00 -4.51 0.00 0.00 0.01 0.00 0.00 42.46 37.96 1xii s ILE 252 CO 0.00 -1.15 0.06 2.29 0.00 0.00 0.00 174.94 176.14 1xii n LYS 253 N 6.97 0.03 -0.83 2.79 2.85 -1.26 -5.09 118.16 123.62 1xii n LYS 253 Ca -0.05 -0.08 -0.33 0.00 -1.05 0.00 0.00 58.31 56.80 1xii n LYS 253 Cb 0.45 0.11 0.11 0.00 -0.65 0.00 0.00 35.03 35.05 1xii n LYS 253 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 177.40 179.83 1xii n TYR 254 N -0.04 -2.08 -2.37 5.58 4.11 -1.26 -4.85 117.16 116.25 1xii n TYR 254 Ca -0.00 0.19 -0.41 0.00 -0.00 0.00 0.00 57.90 57.67 1xii n TYR 254 Cb 0.03 -1.71 -0.03 0.00 -0.00 0.00 0.00 39.34 37.63 1xii n TYR 254 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 1xii s ASP 255 N -1.84 6.09 0.06 9.48 2.15 -1.26 -4.88 116.67 126.48 1xii s ASP 255 Ca 0.54 0.30 -0.08 0.00 0.43 0.00 0.00 52.55 53.73 1xii s ASP 255 Cb -0.20 -2.54 -0.29 0.00 -0.30 0.00 0.00 42.92 39.58 1xii s ASP 255 CO 0.70 -1.73 1.11 1.56 -0.17 0.00 0.00 175.17 176.63 1xii h GLN 256 N 11.22 0.38 -6.13 4.34 4.20 -1.89 -3.49 115.11 123.75 1xii h GLN 256 Ca -0.27 -0.62 -0.43 0.00 0.06 0.00 0.00 58.65 57.40 1xii h GLN 256 Cb 1.10 0.23 0.04 0.00 0.30 0.00 0.00 27.48 29.15 1xii h GLN 256 CO 1.18 1.29 -0.83 -0.25 -0.67 0.00 0.00 178.83 179.54 1xii n ASP 257 N -3.61 -1.14 -4.83 1.46 8.00 -1.23 -4.69 116.55 110.52 1xii n ASP 257 Ca -0.11 -0.83 -0.31 0.00 0.71 0.00 0.00 54.79 54.25 1xii n ASP 257 Cb 1.04 -3.97 0.05 0.00 -0.02 0.00 0.00 41.12 38.22 1xii n ASP 257 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xii s LEU 258 N -6.71 3.07 0.66 0.64 1.43 -0.34 -0.13 118.68 117.31 1xii s LEU 258 Ca 0.01 1.54 -0.17 0.00 -1.03 0.00 0.00 54.13 54.48 1xii s LEU 258 Cb -0.01 -4.41 -0.02 0.00 0.03 0.00 0.00 46.19 41.79 1xii s LEU 258 CO 0.82 -1.44 1.07 -2.11 0.23 0.00 0.00 176.35 174.92 1xii n ARG 259 N -3.12 0.81 -1.77 1.70 1.85 -1.26 -1.02 116.66 113.84 1xii n ARG 259 Ca 0.07 0.33 -0.41 0.00 -1.00 0.00 0.00 57.85 56.84 1xii n ARG 259 Cb 0.54 -2.30 -0.01 0.00 -1.05 0.00 0.00 32.46 29.64 1xii n ARG 259 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1xii s PHE 260 N -1.59 2.69 0.00 2.89 5.36 -1.26 -1.79 117.98 124.28 1xii s PHE 260 Ca 0.77 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1xii s PHE 260 Cb -0.38 -4.07 0.00 0.00 -0.34 0.00 0.00 43.02 38.23 1xii s PHE 260 CO 0.46 -3.47 0.00 0.41 -1.46 0.00 0.00 175.22 171.15 1xii n GLY 261 N 1.66 3.08 3.68 13.12 0.00 -1.26 -4.42 105.19 121.05 1xii n GLY 261 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1xii n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xii s ALA 262 N -2.85 1.11 0.00 4.61 0.00 -0.74 -4.30 121.76 119.59 1xii s ALA 262 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1xii s ALA 262 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 1xii s ALA 262 CO 0.00 -2.70 0.00 0.41 0.00 0.00 0.00 175.76 173.47 1xii n GLY 263 N -0.92 0.46 3.49 0.00 0.00 -1.26 -4.06 105.19 102.89 1xii n GLY 263 Ca 0.06 -0.93 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 1xii n GLY 263 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xii s ASP 264 N -4.00 6.30 0.19 1.61 -1.08 -1.22 -4.88 116.67 113.58 1xii s ASP 264 Ca 0.00 -1.15 -0.09 0.00 -0.52 0.00 0.00 52.55 50.79 1xii s ASP 264 Cb 0.00 -2.46 0.08 0.00 -1.46 0.00 0.00 42.92 39.08 1xii s ASP 264 CO 0.00 -1.46 1.66 0.25 0.52 0.00 0.00 175.17 176.14 1xii h LEU 265 N 11.70 1.07 -1.11 -1.34 5.85 -1.81 -2.53 115.31 127.14 1xii h LEU 265 Ca -0.13 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1xii h LEU 265 Cb 1.05 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1xii h LEU 265 CO 1.22 1.10 0.10 0.03 -0.34 0.00 0.00 178.44 180.54 1xii h ARG 266 N 1.01 0.73 -0.41 1.25 2.47 -1.94 -2.04 114.38 115.45 1xii h ARG 266 Ca 0.19 -0.14 -0.05 0.00 -1.26 0.00 0.00 59.98 58.71 1xii h ARG 266 Cb 0.52 -0.11 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1xii h ARG 266 CO 0.02 0.67 0.04 0.00 0.56 0.00 0.00 179.97 181.27 1xii h ALA 267 N 1.41 1.30 -0.63 0.04 0.00 -1.93 0.12 119.26 119.57 1xii h ALA 267 Ca 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xii h ALA 267 Cb 0.29 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1xii h ALA 267 CO 0.00 0.48 0.34 0.00 0.00 0.00 0.00 179.25 180.07 1xii h ALA 268 N 1.44 0.80 -0.14 0.00 0.00 -0.99 0.92 119.26 121.29 1xii h ALA 268 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xii h ALA 268 Cb 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xii h ALA 268 CO 0.01 0.32 -0.00 0.35 0.00 0.00 0.00 179.25 179.93 1xii h PHE 269 N 0.85 0.27 0.00 0.00 3.57 -0.56 -0.44 116.94 120.63 1xii h PHE 269 Ca 0.22 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1xii h PHE 269 Cb 0.05 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1xii h PHE 269 CO -0.01 0.48 -0.10 -1.49 -2.23 0.00 0.00 178.31 174.96 1xii h TRP 270 N -0.02 0.00 -0.08 0.41 -0.00 -0.75 -1.11 115.95 114.40 1xii h TRP 270 Ca 0.04 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 58.86 1xii h TRP 270 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.53 1xii h TRP 270 CO 0.03 0.10 -0.22 1.25 -0.00 0.00 0.00 178.44 179.60 1xii h LEU 271 N 0.00 0.34 -0.89 -4.49 5.85 -0.51 -1.90 115.31 113.70 1xii h LEU 271 Ca -0.00 -0.60 -0.02 0.00 0.84 0.00 0.00 57.88 58.10 1xii h LEU 271 Cb 0.76 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 1xii h LEU 271 CO 0.01 0.88 0.48 0.58 -0.34 0.00 0.00 178.44 180.05 1xii h VAL 272 N -0.19 1.26 -0.38 1.05 2.07 -0.73 0.36 116.25 119.70 1xii h VAL 272 Ca -0.01 -0.65 0.07 0.00 0.82 0.00 0.00 66.70 66.94 1xii h VAL 272 Cb 0.84 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1xii h VAL 272 CO 0.05 0.29 -0.07 -0.78 0.02 0.00 0.00 177.57 177.08 1xii h ASP 273 N 1.25 -0.30 -0.08 0.57 3.58 -1.19 0.29 116.42 120.54 1xii h ASP 273 Ca 0.31 0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.85 1xii h ASP 273 Cb 0.04 0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1xii h ASP 273 CO -0.05 -0.10 -0.02 0.25 -2.88 0.00 0.00 179.24 176.44 1xii h LEU 274 N 0.02 0.15 -0.82 2.28 5.85 -0.80 0.50 115.31 122.48 1xii h LEU 274 Ca 0.18 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.59 1xii h LEU 274 Cb 0.27 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1xii h LEU 274 CO -0.37 0.47 0.52 -0.07 -0.34 0.00 0.00 178.44 178.65 1xii h LEU 275 N -0.18 0.84 -0.12 2.25 3.38 -0.61 0.18 115.31 121.04 1xii h LEU 275 Ca 0.02 0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.76 1xii h LEU 275 Cb 0.41 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xii h LEU 275 CO 0.01 0.56 -0.95 -0.33 0.09 0.00 0.00 178.44 177.81 1xii h GLU 276 N 0.98 0.56 0.00 1.13 4.39 -0.92 -1.22 114.58 119.51 1xii h GLU 276 Ca 0.34 -0.58 -0.11 0.00 0.34 0.00 0.00 59.36 59.35 1xii h GLU 276 Cb 0.08 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1xii h GLU 276 CO -0.14 1.20 -0.52 0.66 -1.16 0.00 0.00 179.01 179.05 1xii h SER 277 N 0.33 0.00 0.29 1.42 4.64 -0.55 -2.66 113.55 117.02 1xii h SER 277 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1xii h SER 277 Cb 1.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.68 1xii h SER 277 CO 0.18 0.52 -0.12 0.00 -0.87 0.00 0.00 176.83 176.54 1xii n ALA 278 N -2.27 2.79 -3.31 5.18 0.00 0.02 -4.93 120.51 117.98 1xii n ALA 278 Ca 0.01 -0.30 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 1xii n ALA 278 Cb 0.67 -1.30 0.06 0.00 0.00 0.00 0.00 19.45 18.88 1xii n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xii n GLY 279 N 1.26 -0.20 3.71 0.00 0.00 -0.99 -4.96 105.19 104.02 1xii n GLY 279 Ca 0.15 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1xii n GLY 279 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xii n TYR 280 N -4.28 2.62 -0.53 1.61 9.36 -0.50 -4.88 117.16 120.56 1xii n TYR 280 Ca -0.03 0.15 0.05 0.00 3.32 0.00 0.00 57.90 61.39 1xii n TYR 280 Cb 0.56 -2.62 0.07 0.00 -0.63 0.00 0.00 39.34 36.72 1xii n TYR 280 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1xii n SER 281 N 3.41 2.12 -3.72 2.98 3.41 -1.26 -4.93 113.62 115.63 1xii n SER 281 Ca 0.15 -2.50 -0.24 0.00 -0.26 0.00 0.00 58.87 56.02 1xii n SER 281 Cb 0.33 -0.20 0.16 0.00 -0.26 0.00 0.00 64.21 64.24 1xii n SER 281 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xii n GLY 282 N -0.93 -1.00 3.74 5.00 0.00 -1.26 -5.01 105.19 105.74 1xii n GLY 282 Ca 0.07 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1xii n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xii s PRO 283 N -5.29 2.84 -0.77 1.61 0.02 -1.26 -4.97 135.00 127.19 1xii s PRO 283 Ca 0.62 2.06 -0.14 0.00 0.02 0.00 0.00 61.00 63.56 1xii s PRO 283 Cb -0.02 -2.00 0.20 0.00 0.02 0.00 0.00 34.50 32.70 1xii s PRO 283 CO 0.43 -1.37 0.71 1.03 -0.33 0.00 0.00 177.00 177.47 1xii s ARG 284 N -3.21 3.46 -0.15 5.54 3.00 0.10 -4.38 118.95 123.31 1xii s ARG 284 Ca 0.78 -2.32 -0.08 0.00 0.00 0.00 0.00 55.73 54.11 1xii s ARG 284 Cb -0.37 -4.39 -0.04 0.00 0.00 0.00 0.00 34.95 30.15 1xii s ARG 284 CO 0.41 -1.29 0.13 -1.58 0.00 0.00 0.00 175.30 172.96 1xii s HIS 285 N 0.43 3.52 -0.26 -0.53 2.46 -1.23 -1.41 115.29 118.27 1xii s HIS 285 Ca 0.15 0.44 -0.10 0.00 0.47 0.00 0.00 55.06 56.03 1xii s HIS 285 Cb -0.14 -2.01 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 1xii s HIS 285 CO -0.07 0.57 0.14 -0.06 -2.47 0.00 0.00 174.74 172.86 1xii s PHE 286 N -0.55 3.20 -0.62 3.88 0.08 0.69 -0.30 117.98 124.37 1xii s PHE 286 Ca 0.12 -0.02 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 1xii s PHE 286 Cb -0.12 -2.30 0.16 0.00 -0.57 0.00 0.00 43.02 40.19 1xii s PHE 286 CO 0.02 -0.16 0.43 0.34 -0.10 0.00 0.00 175.22 175.74 1xii s ASP 287 N 1.52 5.20 0.13 1.36 2.15 -0.97 -3.35 116.67 122.72 1xii s ASP 287 Ca 0.07 -2.84 -0.01 0.00 0.43 0.00 0.00 52.55 50.19 1xii s ASP 287 Cb -0.15 -1.84 -0.04 0.00 -0.30 0.00 0.00 42.92 40.59 1xii s ASP 287 CO 0.07 -0.37 0.07 0.72 -0.17 0.00 0.00 175.17 175.49 1xii s PHE 288 N -0.05 0.86 -0.14 -5.34 -0.71 -1.26 -4.62 117.98 106.71 1xii s PHE 288 Ca 0.17 -1.22 -0.00 0.00 -1.04 0.00 0.00 56.93 54.83 1xii s PHE 288 Cb -0.20 -0.47 0.03 0.00 -1.21 0.00 0.00 43.02 41.17 1xii s PHE 288 CO -0.03 -0.53 -0.08 0.15 -1.34 0.00 0.00 175.22 173.39 1xii s LYS 289 N -4.05 1.63 0.16 1.99 1.02 0.82 -4.44 119.74 116.86 1xii s LYS 289 Ca 0.24 -0.40 -0.31 0.00 0.02 0.00 0.00 55.97 55.52 1xii s LYS 289 Cb 0.07 -1.83 -0.11 0.00 -0.52 0.00 0.00 37.83 35.45 1xii s LYS 289 CO 0.02 -0.32 1.69 -2.14 -0.92 0.00 0.00 175.35 173.68 1xii s PRO 290 N 1.64 4.16 0.56 -1.68 0.02 -1.26 -4.64 135.00 133.81 1xii s PRO 290 Ca 0.03 2.49 -0.19 0.00 0.02 0.00 0.00 61.00 63.36 1xii s PRO 290 Cb -0.14 -3.29 -0.07 0.00 0.02 0.00 0.00 34.50 31.02 1xii s PRO 290 CO -0.08 -0.73 0.75 -2.30 -0.33 0.00 0.00 177.00 174.31 1xii n PRO 291 N 4.59 0.75 0.00 5.54 -0.02 -1.26 -4.83 135.00 139.77 1xii n PRO 291 Ca 0.16 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1xii n PRO 291 Cb 0.38 -1.92 0.40 0.00 -0.02 0.00 0.00 33.50 32.34 1xii n PRO 291 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1xii n ARG 292 N -0.41 0.09 0.16 -0.52 1.85 -1.26 -1.52 116.66 115.06 1xii n ARG 292 Ca 0.12 0.17 0.12 0.00 -1.00 0.00 0.00 57.85 57.27 1xii n ARG 292 Cb 0.46 -1.50 0.57 0.00 -1.05 0.00 0.00 32.46 30.94 1xii n ARG 292 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1xii h THR 293 N 0.00 0.00 -3.21 8.89 1.35 -1.97 -3.45 112.91 114.51 1xii h THR 293 Ca 0.00 -0.16 -0.57 0.00 -0.55 0.00 0.00 66.41 65.12 1xii h THR 293 Cb 0.26 0.84 -0.04 0.00 -1.73 0.00 0.00 68.15 67.47 1xii h THR 293 CO 0.00 0.00 -0.25 -1.61 -0.25 0.00 0.00 175.52 173.41 1xii s GLU 294 N -3.46 3.70 0.14 4.72 0.41 -0.57 -5.11 118.70 118.52 1xii s GLU 294 Ca 0.01 0.06 -0.01 0.00 -0.41 0.00 0.00 54.97 54.63 1xii s GLU 294 Cb 0.08 -2.84 0.03 0.00 -1.78 0.00 0.00 34.13 29.62 1xii s GLU 294 CO 0.34 0.46 0.19 -0.40 -0.49 0.00 0.00 175.26 175.35 1xii n ASP 295 N 0.24 0.20 -0.36 -0.19 5.68 -1.26 -4.85 116.55 116.01 1xii n ASP 295 Ca -0.03 -1.18 0.06 0.00 -0.50 0.00 0.00 54.79 53.14 1xii n ASP 295 Cb 0.52 -0.13 0.23 0.00 -1.14 0.00 0.00 41.12 40.61 1xii n ASP 295 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1xii h PHE 296 N -0.54 1.14 -0.64 2.11 0.04 -2.00 -1.50 116.94 115.55 1xii h PHE 296 Ca -0.06 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.79 1xii h PHE 296 Cb 0.22 -0.37 -0.05 0.00 2.20 0.00 0.00 35.95 37.95 1xii h PHE 296 CO 0.00 0.49 0.36 -0.44 -0.60 0.00 0.00 178.31 178.12 1xii h ASP 297 N 1.03 0.55 -0.02 2.17 3.32 -2.00 -1.65 116.42 119.82 1xii h ASP 297 Ca 0.48 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.46 1xii h ASP 297 Cb 0.42 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xii h ASP 297 CO -0.24 0.37 -0.25 1.23 -1.72 0.00 0.00 179.24 178.63 1xii h GLY 298 N 0.69 0.46 0.68 2.75 0.00 -1.74 -1.32 103.07 104.60 1xii h GLY 298 Ca 0.28 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1xii h GLY 298 CO -0.16 0.34 -0.13 -2.08 0.00 0.00 0.00 176.54 174.51 1xii h VAL 299 N 0.38 0.68 -0.01 4.60 2.07 -0.38 -0.40 116.25 123.19 1xii h VAL 299 Ca 0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 1xii h VAL 299 Cb 0.65 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1xii h VAL 299 CO 0.05 0.00 -0.62 -0.50 0.02 0.00 0.00 177.57 176.52 1xii h TRP 300 N -0.21 0.06 -0.58 1.57 4.06 -1.26 -1.29 115.95 118.30 1xii h TRP 300 Ca 0.05 -0.03 -0.06 0.00 2.06 0.00 0.00 58.89 60.91 1xii h TRP 300 Cb 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 1xii h TRP 300 CO -0.19 0.65 0.15 0.00 -3.56 0.00 0.00 178.44 175.49 1xii h ALA 301 N 1.34 0.76 -0.33 1.49 0.00 -1.09 -1.25 119.26 120.18 1xii h ALA 301 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1xii h ALA 301 Cb 1.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1xii h ALA 301 CO 0.08 0.47 0.15 1.03 0.00 0.00 0.00 179.25 180.98 1xii h SER 302 N 0.83 0.44 -0.40 0.00 0.87 -0.80 -0.60 113.55 113.89 1xii h SER 302 Ca 0.18 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 1xii h SER 302 Cb 0.34 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1xii h SER 302 CO 0.00 0.46 0.19 0.00 -0.53 0.00 0.00 176.83 176.95 1xii h ALA 303 N 1.00 0.52 -0.87 6.23 0.00 -1.17 -1.98 119.26 123.00 1xii h ALA 303 Ca 0.11 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xii h ALA 303 Cb 0.14 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 1xii h ALA 303 CO -0.01 0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.87 1xii h ALA 304 N 1.04 1.17 -0.14 0.00 0.00 -1.14 -2.41 119.26 117.77 1xii h ALA 304 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1xii h ALA 304 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xii h ALA 304 CO -0.02 0.33 -0.13 0.78 0.00 0.00 0.00 179.25 180.22 1xii h GLY 305 N 1.02 0.24 0.17 0.00 0.00 -0.52 -1.51 103.07 102.47 1xii h GLY 305 Ca 0.36 -0.14 0.08 0.00 0.00 0.00 0.00 47.33 47.63 1xii h GLY 305 CO -0.15 0.13 -0.10 0.00 0.00 0.00 0.00 176.54 176.43 1xii h MET 307 N 0.01 0.76 -0.47 0.00 2.86 -1.32 -2.58 114.93 114.19 1xii h MET 307 Ca 0.20 -0.51 0.03 0.00 -2.06 0.00 0.00 59.70 57.36 1xii h MET 307 Cb 0.31 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.00 1xii h MET 307 CO -0.43 1.14 0.24 -0.09 1.06 0.00 0.00 176.91 178.84 1xii h ARG 308 N 0.50 0.47 -0.46 1.72 2.43 -1.13 -1.37 114.38 116.54 1xii h ARG 308 Ca -0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.01 1xii h ARG 308 Cb 1.14 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1xii h ARG 308 CO 0.12 0.31 -0.23 -0.91 -1.51 0.00 0.00 179.97 177.75 1xii h ASN 309 N 0.49 1.01 -0.49 -3.80 2.35 -1.00 0.78 115.58 114.92 1xii h ASN 309 Ca 0.20 -0.40 0.06 0.00 -0.55 0.00 0.00 56.30 55.61 1xii h ASN 309 Cb 0.09 -0.28 -0.05 0.00 0.05 0.00 0.00 38.32 38.13 1xii h ASN 309 CO -0.13 1.19 0.18 0.22 -1.65 0.00 0.00 177.43 177.24 1xii h TYR 310 N 0.83 0.32 -0.29 1.19 5.03 -1.09 -0.11 116.97 122.84 1xii h TYR 310 Ca 0.10 0.02 -0.13 0.00 2.58 0.00 0.00 58.73 61.30 1xii h TYR 310 Cb 0.81 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 39.01 1xii h TYR 310 CO 0.06 0.11 -0.36 -0.07 -1.32 0.00 0.00 178.16 176.57 1xii h LEU 311 N 0.36 0.71 -0.28 2.82 3.38 -0.46 0.62 115.31 122.46 1xii h LEU 311 Ca 0.23 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1xii h LEU 311 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1xii h LEU 311 CO -0.23 1.00 0.09 0.40 0.09 0.00 0.00 178.44 179.79 1xii h ILE 312 N 0.56 1.19 -0.31 1.22 2.04 -0.62 -1.74 117.51 119.85 1xii h ILE 312 Ca 0.05 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.24 1xii h ILE 312 Cb 0.88 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1xii h ILE 312 CO 0.08 0.21 -0.03 -0.07 0.00 0.00 0.00 178.15 178.33 1xii h LEU 313 N 0.29 0.47 -0.31 1.44 3.38 -0.66 -1.28 115.31 118.64 1xii h LEU 313 Ca 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xii h LEU 313 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1xii h LEU 313 CO -0.00 0.56 0.20 0.50 0.09 0.00 0.00 178.44 179.78 1xii h LYS 314 N 0.47 0.41 -0.29 1.13 3.64 -0.68 0.78 116.57 122.03 1xii h LYS 314 Ca 0.10 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1xii h LYS 314 Cb 0.36 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1xii h LYS 314 CO 0.01 0.29 0.15 1.49 -2.27 0.00 0.00 179.45 179.12 1xii h GLU 315 N 0.41 0.42 -0.52 1.90 4.81 -0.84 -1.81 114.58 118.95 1xii h GLU 315 Ca 0.11 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1xii h GLU 315 Cb -0.02 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1xii h GLU 315 CO -0.02 0.39 0.05 0.00 -0.73 0.00 0.00 179.01 178.70 1xii h ARG 316 N 0.35 0.83 -0.20 1.92 2.47 -0.93 -0.78 114.38 118.03 1xii h ARG 316 Ca 0.10 -0.20 -0.17 0.00 -1.26 0.00 0.00 59.98 58.45 1xii h ARG 316 Cb 0.10 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1xii h ARG 316 CO -0.01 0.80 -0.56 0.00 0.56 0.00 0.00 179.97 180.76 1xii h ALA 317 N 1.27 0.64 -0.36 0.04 0.00 -0.75 -1.05 119.26 119.05 1xii h ALA 317 Ca 0.16 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 1xii h ALA 317 Cb 0.40 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1xii h ALA 317 CO 0.01 0.69 -0.21 0.00 0.00 0.00 0.00 179.25 179.75 1xii h ALA 318 N 0.90 0.51 -0.73 0.00 0.00 -1.18 -1.35 119.26 117.41 1xii h ALA 318 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1xii h ALA 318 Cb 1.12 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1xii h ALA 318 CO 0.11 0.47 0.42 0.00 0.00 0.00 0.00 179.25 180.25 1xii h ALA 319 N 0.78 0.94 -0.16 0.00 0.00 -0.99 -1.55 119.26 118.27 1xii h ALA 319 Ca 0.08 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1xii h ALA 319 Cb 0.76 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1xii h ALA 319 CO 0.06 0.43 -0.12 0.35 0.00 0.00 0.00 179.25 179.97 1xii h PHE 320 N 1.01 -0.29 0.00 0.00 3.57 -0.89 -2.34 116.94 118.00 1xii h PHE 320 Ca 0.26 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.72 1xii h PHE 320 Cb -0.00 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1xii h PHE 320 CO -0.01 -0.18 -0.32 0.00 -2.23 0.00 0.00 178.31 175.58 1xii h ARG 321 N -0.12 0.00 0.00 1.11 2.47 -0.99 -2.86 114.38 113.99 1xii h ARG 321 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 1xii h ARG 321 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1xii h ARG 321 CO -0.24 0.32 -0.07 0.00 0.56 0.00 0.00 179.97 180.54 1xii n ALA 322 N -2.22 2.41 -2.69 0.04 0.00 -0.60 -4.71 120.51 112.74 1xii n ALA 322 Ca 0.01 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1xii n ALA 322 Cb 0.56 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1xii n ALA 322 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xii s ASP 323 N -3.84 7.22 0.48 0.00 -1.08 -0.89 -4.90 116.67 113.65 1xii s ASP 323 Ca 0.12 1.50 0.14 0.00 -0.52 0.00 0.00 52.55 53.78 1xii s ASP 323 Cb 0.15 -2.55 1.11 0.00 -1.46 0.00 0.00 42.92 40.18 1xii s ASP 323 CO 0.58 -0.45 2.09 -0.65 0.52 0.00 0.00 175.17 177.26 1xii h PRO 324 N 7.12 0.11 -0.07 4.34 0.11 -1.90 0.58 132.00 142.30 1xii h PRO 324 Ca -0.30 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.64 1xii h PRO 324 Cb 1.14 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xii h PRO 324 CO 0.86 0.12 -0.64 1.49 -0.21 0.00 0.00 178.00 179.62 1xii h GLU 325 N 0.11 0.26 -0.23 1.05 4.81 -1.95 -1.22 114.58 117.42 1xii h GLU 325 Ca 0.03 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 58.97 1xii h GLU 325 Cb 0.08 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1xii h GLU 325 CO 0.00 0.81 -0.26 0.28 -0.73 0.00 0.00 179.01 179.11 1xii h VAL 326 N 0.19 1.32 -0.85 0.32 2.07 -1.23 -1.82 116.25 116.25 1xii h VAL 326 Ca -0.01 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.12 1xii h VAL 326 Cb 1.17 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 1xii h VAL 326 CO 0.10 0.45 0.56 1.56 0.02 0.00 0.00 177.57 180.25 1xii h GLN 327 N 0.27 0.98 -0.51 1.57 4.20 -0.91 0.32 115.11 121.02 1xii h GLN 327 Ca 0.03 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1xii h GLN 327 Cb 0.82 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 1xii h GLN 327 CO 0.06 0.65 0.06 1.49 -0.67 0.00 0.00 178.83 180.42 1xii h GLU 328 N 1.01 0.86 -0.60 1.46 4.81 -1.22 -2.12 114.58 118.78 1xii h GLU 328 Ca 0.35 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 1xii h GLU 328 Cb 0.11 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1xii h GLU 328 CO -0.11 0.86 0.10 0.00 -0.73 0.00 0.00 179.01 179.13 1xii h ALA 329 N 0.97 1.05 -0.89 2.92 0.00 -0.36 0.27 119.26 123.22 1xii h ALA 329 Ca 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xii h ALA 329 Cb 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1xii h ALA 329 CO 0.01 0.61 0.49 -0.07 0.00 0.00 0.00 179.25 180.30 1xii h LEU 330 N 0.91 1.11 -0.85 0.00 3.38 -0.82 -0.65 115.31 118.39 1xii h LEU 330 Ca 0.19 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 1xii h LEU 330 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xii h LEU 330 CO 0.01 0.89 -0.33 0.03 0.09 0.00 0.00 178.44 179.12 1xii h ARG 331 N 1.25 0.46 0.00 1.13 3.08 -0.87 -0.66 114.38 118.77 1xii h ARG 331 Ca 0.31 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1xii h ARG 331 Cb 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1xii h ARG 331 CO -0.05 0.74 -0.17 0.00 -1.07 0.00 0.00 179.97 179.42 1xii h ALA 332 N 1.25 1.58 -0.44 0.04 0.00 -0.05 -1.30 119.26 120.35 1xii h ALA 332 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xii h ALA 332 Cb 0.78 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xii h ALA 332 CO 0.06 0.21 0.00 0.43 0.00 0.00 0.00 179.25 179.95 1xii n SER 333 N -4.13 3.40 -1.60 0.00 7.64 -0.34 -4.77 113.62 113.82 1xii n SER 333 Ca -0.02 -1.98 -0.15 0.00 1.01 0.00 0.00 58.87 57.73 1xii n SER 333 Cb 0.24 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 1xii n SER 333 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xii n ARG 334 N 1.43 -1.18 0.01 1.43 3.00 -0.49 -4.91 116.66 115.95 1xii n ARG 334 Ca 0.20 0.81 0.11 0.00 -0.01 0.00 0.00 57.85 58.96 1xii n ARG 334 Cb 0.59 -5.11 0.54 0.00 0.00 0.00 0.00 32.46 28.48 1xii n ARG 334 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1xii h LEU 335 N 0.00 0.27 -0.80 0.55 -0.00 -1.39 -1.40 115.31 112.55 1xii h LEU 335 Ca -0.35 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.51 1xii h LEU 335 Cb 1.20 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 1xii h LEU 335 CO 0.43 0.18 0.40 -2.24 -0.00 0.00 0.00 178.44 177.21 1xii h ASP 336 N 0.31 1.04 0.66 -0.43 2.03 -1.89 -2.75 116.42 115.39 1xii h ASP 336 Ca 0.20 -0.13 -0.08 0.00 -0.73 0.00 0.00 57.03 56.29 1xii h ASP 336 Cb 0.38 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.60 1xii h ASP 336 CO -0.04 0.87 -0.39 -0.33 -1.03 0.00 0.00 179.24 178.32 1xii h GLU 337 N 1.13 0.00 0.00 4.15 5.08 -1.66 -2.84 114.58 120.44 1xii h GLU 337 Ca 0.28 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.59 1xii h GLU 337 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1xii h GLU 337 CO -0.04 0.39 -0.22 1.25 -1.00 0.00 0.00 179.01 179.39 1xii h LEU 338 N 0.00 0.00 -0.14 1.33 5.85 -1.05 -2.23 115.31 119.07 1xii h LEU 338 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xii h LEU 338 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1xii h LEU 338 CO 0.05 0.22 -0.08 0.00 -0.34 0.00 0.00 178.44 178.29 1xii n ALA 339 N -2.46 2.68 -2.80 1.25 0.00 -1.07 -4.82 120.51 113.29 1xii n ALA 339 Ca -0.02 -0.22 -0.32 0.00 0.00 0.00 0.00 53.44 52.87 1xii n ALA 339 Cb 0.29 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 1xii n ALA 339 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xii s ARG 340 N -2.52 3.53 0.40 0.00 0.52 -0.84 -5.05 118.95 115.00 1xii s ARG 340 Ca 0.28 -0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 55.00 1xii s ARG 340 Cb 0.20 -2.99 -0.10 0.00 0.52 0.00 0.00 34.95 32.58 1xii s ARG 340 CO 0.47 0.57 1.43 -2.30 0.02 0.00 0.00 175.30 175.49 1xii n PRO 341 N 0.46 2.40 0.05 3.54 -0.02 -1.26 -4.91 135.00 135.25 1xii n PRO 341 Ca -0.06 0.85 -0.06 0.00 -2.02 0.00 0.00 63.50 62.20 1xii n PRO 341 Cb 0.52 -2.59 0.11 0.00 -0.02 0.00 0.00 33.50 31.52 1xii n PRO 341 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1xii h THR 342 N 2.59 1.34 -0.98 3.45 2.02 -1.94 -3.40 112.91 116.00 1xii h THR 342 Ca -0.50 -1.79 -0.37 0.00 0.77 0.00 0.00 66.41 64.52 1xii h THR 342 Cb 1.26 1.82 -0.27 0.00 -1.74 0.00 0.00 68.15 69.22 1xii h THR 342 CO 0.62 0.54 -0.81 0.00 0.37 0.00 0.00 175.52 176.25 1xii n ALA 343 N -2.49 0.54 0.27 6.16 0.00 -1.26 -4.92 120.51 118.81 1xii n ALA 343 Ca -0.02 -2.40 0.16 0.00 0.00 0.00 0.00 53.44 51.17 1xii n ALA 343 Cb 0.58 -1.06 0.74 0.00 0.00 0.00 0.00 19.45 19.71 1xii n ALA 343 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xii h ALA 344 N 3.31 1.08 0.00 0.00 0.00 -1.99 -0.73 119.26 120.93 1xii h ALA 344 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xii h ALA 344 Cb 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xii h ALA 344 CO 0.34 0.09 0.00 0.38 0.00 0.00 0.00 179.25 180.06 1xii h ASP 345 N 0.00 0.00 -4.62 0.00 2.03 -1.95 -3.49 116.42 108.39 1xii h ASP 345 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xii h ASP 345 Cb 0.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.93 1xii h ASP 345 CO 0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.83 1xii n GLY 346 N -0.72 0.17 0.11 7.15 0.00 -0.28 -4.35 105.19 107.28 1xii n GLY 346 Ca -0.01 -1.78 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 1xii n GLY 346 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xii h LEU 347 N 0.00 -0.19 -0.41 0.99 6.46 -1.94 -0.84 115.31 119.37 1xii h LEU 347 Ca 0.00 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.82 1xii h LEU 347 Cb 0.00 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.98 1xii h LEU 347 CO 0.00 -0.10 0.22 -0.61 -0.62 0.00 0.00 178.44 177.33 1xii h GLN 348 N -0.12 0.44 -0.65 1.25 5.75 -1.99 0.12 115.11 119.91 1xii h GLN 348 Ca 0.03 -0.03 0.03 0.00 -0.15 0.00 0.00 58.65 58.53 1xii h GLN 348 Cb 0.15 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.56 1xii h GLN 348 CO -0.07 0.29 0.41 0.00 -2.65 0.00 0.00 178.83 176.81 1xii h ALA 349 N 1.20 0.84 -0.53 3.38 0.00 -1.72 -0.77 119.26 121.66 1xii h ALA 349 Ca 0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1xii h ALA 349 Cb 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1xii h ALA 349 CO -0.10 0.17 0.26 1.25 0.00 0.00 0.00 179.25 180.83 1xii h LEU 350 N 0.80 0.37 -1.67 0.00 5.85 -0.61 -0.65 115.31 119.40 1xii h LEU 350 Ca 0.26 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 1xii h LEU 350 Cb 0.01 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1xii h LEU 350 CO -0.10 0.25 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.07 1xii h LEU 351 N 0.51 0.06 -0.11 2.25 3.38 -0.34 -2.53 115.31 118.52 1xii h LEU 351 Ca 0.24 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xii h LEU 351 Cb 0.15 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1xii h LEU 351 CO -0.17 0.18 -0.43 0.47 0.09 0.00 0.00 178.44 178.58 1xii n ASP 352 N -4.37 0.60 -4.57 -0.43 8.00 -0.33 -4.82 116.55 110.63 1xii n ASP 352 Ca -0.02 -0.37 -0.42 0.00 0.71 0.00 0.00 54.79 54.69 1xii n ASP 352 Cb 0.21 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 1xii n ASP 352 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xii s ASP 353 N -2.89 6.34 0.54 -2.24 2.15 -0.31 -4.86 116.67 115.41 1xii s ASP 353 Ca 0.14 -0.03 0.35 0.00 0.43 0.00 0.00 52.55 53.45 1xii s ASP 353 Cb 0.18 -2.55 1.61 0.00 -0.30 0.00 0.00 42.92 41.85 1xii s ASP 353 CO 0.65 -1.60 2.05 0.03 -0.17 0.00 0.00 175.17 176.13 1xii h ARG 354 N 9.81 0.00 0.00 4.34 3.08 -1.87 -2.32 114.38 127.42 1xii h ARG 354 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1xii h ARG 354 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xii h ARG 354 CO 1.21 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 180.77 1xii h SER 355 N 0.00 0.00 0.79 7.04 4.64 -1.89 0.96 113.55 125.09 1xii h SER 355 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xii h SER 355 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1xii h SER 355 CO 0.00 0.00 -0.35 0.00 -0.87 0.00 0.00 176.83 175.61 1xii n ALA 356 N -1.81 2.98 -0.66 5.18 0.00 -0.87 -3.95 120.51 121.37 1xii n ALA 356 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1xii n ALA 356 Cb 0.40 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.60 1xii n ALA 356 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xii n PHE 357 N -1.69 -0.50 -0.29 0.00 7.35 -1.03 -4.82 117.46 116.49 1xii n PHE 357 Ca 0.05 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.81 1xii n PHE 357 Cb 0.37 0.17 0.28 0.00 0.35 0.00 0.00 39.48 40.65 1xii n PHE 357 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1xii h GLU 358 N 0.00 0.89 -0.13 -4.13 3.07 -1.74 -1.90 114.58 110.64 1xii h GLU 358 Ca 0.00 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1xii h GLU 358 Cb 0.00 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1xii h GLU 358 CO 0.00 0.59 -0.01 0.39 -1.40 0.00 0.00 179.01 178.58 1xii n GLU 359 N -4.52 2.07 -2.67 2.33 1.02 0.33 -4.98 120.64 114.21 1xii n GLU 359 Ca 0.15 -2.73 -0.42 0.00 -0.02 0.00 0.00 57.16 54.14 1xii n GLU 359 Cb 0.29 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1xii n GLU 359 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1xii s PHE 360 N -2.87 3.64 -0.73 -0.32 5.36 -0.72 -4.83 117.98 117.51 1xii s PHE 360 Ca 0.37 1.65 -0.18 0.00 -0.96 0.00 0.00 56.93 57.81 1xii s PHE 360 Cb 0.31 -3.16 0.13 0.00 -0.34 0.00 0.00 43.02 39.96 1xii s PHE 360 CO 0.05 -0.18 0.85 0.34 -1.46 0.00 0.00 175.22 174.82 1xii s ASP 361 N 0.96 6.40 0.14 6.13 -1.08 -1.26 -4.90 116.67 123.06 1xii s ASP 361 Ca 0.53 -1.78 -0.13 0.00 -0.52 0.00 0.00 52.55 50.65 1xii s ASP 361 Cb -0.22 -2.32 -0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1xii s ASP 361 CO 0.28 -1.03 1.53 -0.37 0.52 0.00 0.00 175.17 176.10 1xii h VAL 362 N 5.70 1.28 -0.71 1.11 -1.51 -1.96 -2.21 116.25 117.94 1xii h VAL 362 Ca -0.10 -1.26 -0.03 0.00 -1.23 0.00 0.00 66.70 64.08 1xii h VAL 362 Cb 1.06 1.20 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 1xii h VAL 362 CO 1.05 0.42 0.34 0.44 -1.23 0.00 0.00 177.57 178.59 1xii h ASP 363 N 0.66 0.91 -0.32 4.19 3.32 -1.99 0.10 116.42 123.30 1xii h ASP 363 Ca 0.10 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.93 1xii h ASP 363 Cb 0.68 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1xii h ASP 363 CO 0.05 0.77 -0.29 0.00 -1.72 0.00 0.00 179.24 178.05 1xii h ALA 364 N 1.37 0.47 -0.49 3.45 0.00 -1.94 -2.29 119.26 119.82 1xii h ALA 364 Ca 0.25 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xii h ALA 364 Cb 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xii h ALA 364 CO -0.03 0.49 0.17 0.00 0.00 0.00 0.00 179.25 179.88 1xii h ALA 365 N 0.73 0.64 -0.21 0.00 0.00 -1.24 -2.83 119.26 116.36 1xii h ALA 365 Ca 0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xii h ALA 365 Cb 0.87 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1xii h ALA 365 CO 0.07 0.28 0.15 0.00 0.00 0.00 0.00 179.25 179.75 1xii h ALA 366 N 1.02 2.03 0.00 0.00 0.00 -0.69 -2.50 119.26 119.12 1xii h ALA 366 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xii h ALA 366 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1xii h ALA 366 CO -0.01 -0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.06 1xii n ALA 367 N -2.54 2.56 -2.45 0.00 0.00 -0.87 -4.74 120.51 112.47 1xii n ALA 367 Ca 0.01 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.89 1xii n ALA 367 Cb 0.19 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1xii n ALA 367 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1xii s ARG 368 N -3.02 4.24 0.53 0.00 0.52 -0.94 -5.01 118.95 115.27 1xii s ARG 368 Ca 0.13 1.64 -0.21 0.00 -0.52 0.00 0.00 55.73 56.76 1xii s ARG 368 Cb 0.17 -3.74 -0.06 0.00 0.52 0.00 0.00 34.95 31.85 1xii s ARG 368 CO 0.58 -0.68 1.19 0.20 0.02 0.00 0.00 175.30 176.61 1xii s GLY 369 N 1.87 2.74 0.34 -3.53 0.00 -1.26 -4.95 107.32 102.52 1xii s GLY 369 Ca 0.54 0.97 0.24 0.00 0.00 0.00 0.00 44.72 46.47 1xii s GLY 369 CO 0.14 1.39 1.54 -0.33 0.00 0.00 0.00 173.10 175.85 1xii h MET 370 N 1.42 0.00 -3.73 2.90 0.00 -1.95 -3.48 114.93 110.09 1xii h MET 370 Ca -0.50 0.00 -0.36 0.00 0.00 0.00 0.00 59.70 58.84 1xii h MET 370 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 31.60 32.87 1xii h MET 370 CO 0.57 0.00 -0.49 0.00 0.00 0.00 0.00 176.91 177.00 1xii n ALA 371 N -2.03 -0.77 0.11 6.32 0.00 -1.26 -4.17 120.51 118.71 1xii n ALA 371 Ca 0.04 0.17 -0.03 0.00 0.00 0.00 0.00 53.44 53.61 1xii n ALA 371 Cb 0.51 -2.38 0.16 0.00 0.00 0.00 0.00 19.45 17.74 1xii n ALA 371 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1xii h PHE 372 N -0.35 0.19 -0.12 0.00 0.04 -1.96 -2.79 116.94 111.95 1xii h PHE 372 Ca -0.44 -0.07 -0.18 0.00 2.80 0.00 0.00 57.97 60.08 1xii h PHE 372 Cb 1.32 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 39.43 1xii h PHE 372 CO 0.60 0.69 -0.69 0.93 -0.60 0.00 0.00 178.31 179.24 1xii h GLU 373 N 0.11 0.51 -0.29 1.51 4.39 -1.99 0.26 114.58 119.08 1xii h GLU 373 Ca -0.00 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.27 1xii h GLU 373 Cb 1.04 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 1xii h GLU 373 CO 0.08 1.02 0.05 -0.09 -1.16 0.00 0.00 179.01 178.91 1xii h ARG 374 N 0.36 0.48 -0.71 2.33 2.43 -1.97 0.46 114.38 117.76 1xii h ARG 374 Ca -0.03 -0.13 0.07 0.00 -0.81 0.00 0.00 59.98 59.09 1xii h ARG 374 Cb 1.27 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1xii h ARG 374 CO 0.13 0.58 0.39 1.25 -1.51 0.00 0.00 179.97 180.81 1xii h LEU 375 N 0.30 0.57 -0.96 3.80 5.85 -1.38 -2.08 115.31 121.41 1xii h LEU 375 Ca 0.09 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.74 1xii h LEU 375 Cb 0.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1xii h LEU 375 CO 0.01 0.36 -0.51 -0.78 -0.34 0.00 0.00 178.44 177.17 1xii h ASP 376 N 0.70 0.00 0.27 1.25 3.58 0.04 -1.37 116.42 120.89 1xii h ASP 376 Ca 0.33 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.63 1xii h ASP 376 Cb 0.24 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1xii h ASP 376 CO -0.20 0.51 -0.59 -0.61 -2.88 0.00 0.00 179.24 175.47 1xii h GLN 377 N 0.00 0.32 -0.80 0.28 5.75 -0.59 -0.38 115.11 119.69 1xii h GLN 377 Ca -0.01 -0.22 0.05 0.00 -0.15 0.00 0.00 58.65 58.33 1xii h GLN 377 Cb 0.92 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.44 1xii h GLN 377 CO 0.07 0.82 0.49 -0.07 -2.65 0.00 0.00 178.83 177.49 1xii h LEU 378 N 0.24 0.79 -0.76 -2.39 3.38 -0.95 0.23 115.31 115.86 1xii h LEU 378 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1xii h LEU 378 Cb 1.10 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1xii h LEU 378 CO 0.10 0.52 0.32 0.00 0.09 0.00 0.00 178.44 179.47 1xii h ALA 379 N 1.37 0.98 -0.16 1.53 0.00 -0.94 0.10 119.26 122.14 1xii h ALA 379 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xii h ALA 379 Cb 0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xii h ALA 379 CO -0.15 0.59 0.10 1.98 0.00 0.00 0.00 179.25 181.76 1xii h MET 380 N 1.08 0.20 -0.75 0.00 1.85 -0.58 -0.56 114.93 116.17 1xii h MET 380 Ca 0.26 -0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.35 1xii h MET 380 Cb 0.18 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.13 1xii h MET 380 CO -0.02 0.13 0.49 -0.44 -0.40 0.00 0.00 176.91 176.66 1xii h ASP 381 N 0.20 0.83 -0.19 1.39 3.32 -0.34 -0.89 116.42 120.75 1xii h ASP 381 Ca 0.06 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xii h ASP 381 Cb -0.02 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1xii h ASP 381 CO -0.02 0.59 0.10 0.45 -1.72 0.00 0.00 179.24 178.64 1xii h HIS 382 N 0.98 0.26 -0.72 4.55 3.86 -0.77 0.21 115.15 123.53 1xii h HIS 382 Ca 0.28 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.55 1xii h HIS 382 Cb -0.07 -0.08 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 1xii h HIS 382 CO -0.03 0.26 0.40 1.25 0.86 0.00 0.00 177.93 180.67 1xii h LEU 383 N 0.19 0.58 -0.07 2.43 5.85 -0.61 -2.41 115.31 121.27 1xii h LEU 383 Ca 0.07 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1xii h LEU 383 Cb 0.08 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1xii h LEU 383 CO -0.01 0.36 -0.07 0.18 -0.34 0.00 0.00 178.44 178.56 1xii n LEU 384 N -4.78 0.19 -1.61 2.25 4.77 -0.38 -4.92 117.00 112.52 1xii n LEU 384 Ca 0.10 0.22 -0.10 0.00 -0.03 0.00 0.00 56.01 56.20 1xii n LEU 384 Cb 0.21 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 1xii n LEU 384 CO 0.28 0.04 0.04 0.61 -1.33 0.00 0.00 177.39 177.03 1xii n GLY 385 N 1.34 0.21 1.53 -0.72 0.00 -0.44 -4.93 105.19 102.18 1xii n GLY 385 Ca 0.12 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 1xii n GLY 385 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xii n ALA 386 N -2.96 4.71 0.00 4.61 0.00 0.63 -5.04 120.51 122.46 1xii n ALA 386 Ca -0.03 -3.47 0.00 0.00 0.00 0.00 0.00 53.44 49.94 1xii n ALA 386 Cb 0.54 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1xii n ALA 386 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04