#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xm3 s LEU 4 N 0.00 4.29 -0.09 1.04 2.96 -1.24 -5.15 118.68 120.49 1xm3 s LEU 4 Ca 0.00 1.65 -0.00 0.00 -0.22 0.00 0.00 54.13 55.55 1xm3 s LEU 4 Cb 0.00 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.15 1xm3 s LEU 4 CO 0.00 -0.44 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.65 1xm3 s THR 5 N 1.79 0.81 -0.09 3.68 2.01 -1.26 -0.49 115.64 122.08 1xm3 s THR 5 Ca 0.51 -0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.35 1xm3 s THR 5 Cb -0.21 -0.86 0.02 0.00 0.01 0.00 0.00 72.50 71.46 1xm3 s THR 5 CO 0.22 0.32 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.73 1xm3 s ILE 6 N 1.63 1.18 -1.72 1.82 1.01 0.12 -4.66 121.20 120.59 1xm3 s ILE 6 Ca 0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1xm3 s ILE 6 Cb -0.13 -1.12 0.00 0.00 0.01 0.00 0.00 42.46 41.22 1xm3 s ILE 6 CO -0.06 0.38 0.01 0.61 0.00 0.00 0.00 174.94 175.88 1xm3 n GLY 7 N 4.34 -0.50 1.87 6.18 0.00 -1.26 -1.65 105.19 114.18 1xm3 n GLY 7 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1xm3 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xm3 n GLY 8 N -1.00 1.12 3.61 -0.02 0.00 -1.26 -5.04 105.19 102.60 1xm3 n GLY 8 Ca -0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1xm3 n GLY 8 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xm3 s LYS 9 N -0.38 3.33 0.10 1.61 2.20 -0.66 -5.10 119.74 120.84 1xm3 s LYS 9 Ca 0.00 -0.44 0.01 0.00 -0.36 0.00 0.00 55.97 55.18 1xm3 s LYS 9 Cb 0.00 -2.88 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 1xm3 s LYS 9 CO 0.00 0.50 0.25 -1.12 -0.36 0.00 0.00 175.35 174.62 1xm3 s SER 10 N -0.32 6.36 -0.04 1.43 0.01 -1.26 -0.70 113.70 119.18 1xm3 s SER 10 Ca 0.06 0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.60 1xm3 s SER 10 Cb -0.12 -1.95 0.02 0.00 0.21 0.00 0.00 66.02 64.17 1xm3 s SER 10 CO 0.02 0.12 -0.06 -0.36 0.41 0.00 0.00 173.24 173.37 1xm3 s PHE 11 N -1.61 0.81 0.20 2.43 0.08 0.36 -4.99 117.98 115.26 1xm3 s PHE 11 Ca 0.35 -0.22 -0.06 0.00 0.12 0.00 0.00 56.93 57.12 1xm3 s PHE 11 Cb -0.12 -0.66 0.14 0.00 -0.57 0.00 0.00 43.02 41.80 1xm3 s PHE 11 CO 0.28 -0.16 1.62 1.96 -0.10 0.00 0.00 175.22 178.81 1xm3 h GLN 12 N 6.93 0.86 -5.51 0.44 1.08 -1.96 -3.28 115.11 113.66 1xm3 h GLN 12 Ca -0.36 -0.34 -0.60 0.00 -1.45 0.00 0.00 58.65 55.90 1xm3 h GLN 12 Cb 1.16 -0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 28.45 1xm3 h GLN 12 CO 0.48 0.97 -0.35 0.45 -0.95 0.00 0.00 178.83 179.44 1xm3 s SER 13 N -6.73 6.43 0.00 1.46 0.15 -1.26 -4.93 113.70 108.83 1xm3 s SER 13 Ca -0.10 0.51 0.19 0.00 0.70 0.00 0.00 55.95 57.25 1xm3 s SER 13 Cb 0.13 -2.17 0.55 0.00 -1.71 0.00 0.00 66.02 62.82 1xm3 s SER 13 CO 0.85 0.15 1.44 0.54 1.20 0.00 0.00 173.24 177.41 1xm3 n ARG 14 N 3.33 2.03 -3.61 5.44 1.74 -1.26 -4.64 116.66 119.70 1xm3 n ARG 14 Ca -0.13 -1.58 -0.39 0.00 -0.77 0.00 0.00 57.85 54.98 1xm3 n ARG 14 Cb 0.52 -1.41 -0.11 0.00 -1.02 0.00 0.00 32.46 30.44 1xm3 n ARG 14 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xm3 s LEU 15 N -1.34 4.20 -0.24 0.55 2.96 -1.26 -1.47 118.68 122.08 1xm3 s LEU 15 Ca 0.33 -0.41 -0.12 0.00 -0.22 0.00 0.00 54.13 53.71 1xm3 s LEU 15 Cb 0.18 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 1xm3 s LEU 15 CO 0.26 -0.18 0.23 -0.76 -1.32 0.00 0.00 176.35 174.58 1xm3 s LEU 16 N 1.67 4.10 -0.14 -0.68 1.02 0.59 -4.24 118.68 120.99 1xm3 s LEU 16 Ca 0.05 0.19 -0.04 0.00 0.02 0.00 0.00 54.13 54.35 1xm3 s LEU 16 Cb -0.17 -2.22 -0.03 0.00 0.02 0.00 0.00 46.19 43.79 1xm3 s LEU 16 CO 0.08 -0.01 -0.00 -0.22 0.02 0.00 0.00 176.35 176.22 1xm3 s LEU 17 N 1.33 3.49 0.32 1.79 2.96 -0.84 -0.77 118.68 126.96 1xm3 s LEU 17 Ca 0.10 0.00 -0.20 0.00 -0.22 0.00 0.00 54.13 53.82 1xm3 s LEU 17 Cb -0.14 -1.84 -0.09 0.00 0.50 0.00 0.00 46.19 44.61 1xm3 s LEU 17 CO 0.07 0.23 0.82 -0.83 -1.32 0.00 0.00 176.35 175.31 1xm3 s GLY 18 N 0.01 2.51 0.10 7.98 0.00 0.13 -0.84 107.32 117.20 1xm3 s GLY 18 Ca 0.03 0.24 0.03 0.00 0.00 0.00 0.00 44.72 45.02 1xm3 s GLY 18 CO 0.02 0.55 -0.10 -0.51 0.00 0.00 0.00 173.10 173.06 1xm3 s THR 19 N -1.83 0.91 0.00 0.90 -4.23 -0.02 -4.83 115.64 106.54 1xm3 s THR 19 Ca 0.52 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 1xm3 s THR 19 Cb -0.13 -1.39 0.00 0.00 1.34 0.00 0.00 72.50 72.32 1xm3 s THR 19 CO 0.19 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1xm3 n GLY 20 N 0.49 2.15 0.23 3.99 0.00 -1.26 -4.54 105.19 106.25 1xm3 n GLY 20 Ca -0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 45.95 1xm3 n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xm3 n LYS 21 N -0.02 1.38 -2.16 1.61 5.02 -1.26 -4.97 118.16 117.77 1xm3 n LYS 21 Ca 0.00 -2.80 -0.32 0.00 -2.02 0.00 0.00 58.31 53.18 1xm3 n LYS 21 Cb 0.00 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.46 1xm3 n LYS 21 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xm3 s TYR 22 N -2.99 3.44 0.45 2.13 2.02 -1.26 -4.77 117.35 116.37 1xm3 s TYR 22 Ca 0.34 1.42 0.39 0.00 -0.37 0.00 0.00 57.07 58.85 1xm3 s TYR 22 Cb 0.31 -2.80 1.98 0.00 -0.40 0.00 0.00 41.96 41.05 1xm3 s TYR 22 CO 0.00 -0.59 2.22 -1.00 -1.57 0.00 0.00 175.55 174.61 1xm3 h PRO 23 N 0.41 0.00 -2.57 -1.71 0.13 -1.97 -3.45 132.00 122.84 1xm3 h PRO 23 Ca -0.46 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1xm3 h PRO 23 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1xm3 h PRO 23 CO 0.61 0.01 0.35 -1.54 -0.23 0.00 0.00 178.00 177.20 1xm3 s SER 24 N -5.44 -0.48 0.38 1.44 1.04 -1.26 -5.04 113.70 104.35 1xm3 s SER 24 Ca -0.03 0.06 0.16 0.00 0.48 0.00 0.00 55.95 56.62 1xm3 s SER 24 Cb 0.12 0.49 0.78 0.00 0.10 0.00 0.00 66.02 67.50 1xm3 s SER 24 CO 0.47 -0.77 1.82 -0.26 0.98 0.00 0.00 173.24 175.48 1xm3 h PHE 25 N 2.08 0.00 -0.10 5.02 0.04 -1.94 -1.26 116.94 120.78 1xm3 h PHE 25 Ca -0.28 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.46 1xm3 h PHE 25 Cb 1.26 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.41 1xm3 h PHE 25 CO 0.25 0.36 -0.06 -0.44 -0.60 0.00 0.00 178.31 177.83 1xm3 h ASP 26 N 0.00 0.22 -0.74 2.17 5.19 -1.96 -1.17 116.42 120.12 1xm3 h ASP 26 Ca -0.00 -0.43 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 1xm3 h ASP 26 Cb 0.72 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 40.14 1xm3 h ASP 26 CO 0.05 0.60 0.34 0.40 -3.12 0.00 0.00 179.24 177.51 1xm3 h ILE 27 N -0.17 1.24 -0.28 0.35 2.04 -1.93 -1.77 117.51 117.00 1xm3 h ILE 27 Ca 0.02 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.17 1xm3 h ILE 27 Cb 0.53 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1xm3 h ILE 27 CO 0.02 0.29 0.17 -0.61 0.00 0.00 0.00 178.15 178.02 1xm3 h GLN 28 N 1.05 0.38 -0.57 2.37 4.15 -1.17 0.14 115.11 121.47 1xm3 h GLN 28 Ca 0.25 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.67 1xm3 h GLN 28 Cb 0.14 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1xm3 h GLN 28 CO -0.03 0.30 0.34 -0.22 -1.93 0.00 0.00 178.83 177.29 1xm3 h LYS 29 N 0.35 0.65 -0.48 1.69 1.63 -0.96 0.12 116.57 119.57 1xm3 h LYS 29 Ca 0.10 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 1xm3 h LYS 29 Cb 0.02 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 1xm3 h LYS 29 CO -0.02 0.43 -0.17 1.49 -3.45 0.00 0.00 179.45 177.73 1xm3 h GLU 30 N 0.67 0.94 -0.23 1.90 4.57 -1.07 -1.74 114.58 119.62 1xm3 h GLU 30 Ca 0.23 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1xm3 h GLU 30 Cb 0.03 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1xm3 h GLU 30 CO -0.10 1.03 0.10 0.00 -1.18 0.00 0.00 179.01 178.86 1xm3 h ALA 31 N 0.97 0.30 -0.56 2.92 0.00 -0.14 -1.34 119.26 121.42 1xm3 h ALA 31 Ca 0.12 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1xm3 h ALA 31 Cb 0.72 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1xm3 h ALA 31 CO 0.06 -0.12 0.33 0.28 0.00 0.00 0.00 179.25 179.80 1xm3 h VAL 32 N 0.23 1.05 0.48 0.00 2.07 -0.66 -1.75 116.25 117.66 1xm3 h VAL 32 Ca 0.08 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xm3 h VAL 32 Cb 0.15 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1xm3 h VAL 32 CO -0.01 0.12 -0.23 0.00 0.02 0.00 0.00 177.57 177.47 1xm3 h ALA 33 N 1.25 -0.64 0.00 1.67 0.00 -1.06 -2.85 119.26 117.63 1xm3 h ALA 33 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xm3 h ALA 33 Cb 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xm3 h ALA 33 CO -0.11 -0.84 -0.00 -0.39 0.00 0.00 0.00 179.25 177.91 1xm3 h VAL 34 N -0.68 0.01 0.00 0.00 -1.51 -1.16 -1.97 116.25 110.94 1xm3 h VAL 34 Ca -0.07 -0.30 -0.05 0.00 -1.23 0.00 0.00 66.70 65.06 1xm3 h VAL 34 Cb 0.51 1.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.96 1xm3 h VAL 34 CO 0.11 0.00 -0.25 0.77 -1.23 0.00 0.00 177.57 176.97 1xm3 h SER 35 N 0.00 0.00 -0.74 4.19 4.64 -1.10 -3.41 113.55 117.14 1xm3 h SER 35 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1xm3 h SER 35 Cb 0.29 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.26 1xm3 h SER 35 CO 0.00 0.25 -0.29 -0.62 -0.87 0.00 0.00 176.83 175.30 1xm3 n GLU 36 N -3.21 -1.46 -2.05 4.77 1.02 -0.74 -4.74 120.64 114.23 1xm3 n GLU 36 Ca 0.02 1.04 -0.39 0.00 -0.02 0.00 0.00 57.16 57.81 1xm3 n GLU 36 Cb 0.58 -5.38 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 1xm3 n GLU 36 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1xm3 s SER 37 N -2.63 6.14 -0.05 1.62 0.15 -1.26 -4.60 113.70 113.08 1xm3 s SER 37 Ca 0.00 2.61 0.18 0.00 0.70 0.00 0.00 55.95 59.44 1xm3 s SER 37 Cb 0.00 -2.63 -0.27 0.00 -1.71 0.00 0.00 66.02 61.41 1xm3 s SER 37 CO 0.00 -0.96 0.34 0.47 1.20 0.00 0.00 173.24 174.29 1xm3 n ASP 38 N -0.14 0.87 -4.27 5.45 8.00 -1.26 -4.91 116.55 120.29 1xm3 n ASP 38 Ca 0.05 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.21 1xm3 n ASP 38 Cb 0.44 1.68 -0.15 0.00 -0.02 0.00 0.00 41.12 43.08 1xm3 n ASP 38 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xm3 s ILE 39 N -3.12 2.96 -0.13 0.53 1.01 -1.26 -0.79 121.20 120.39 1xm3 s ILE 39 Ca -0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 1xm3 s ILE 39 Cb 0.11 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 1xm3 s ILE 39 CO 0.74 0.47 -0.04 -0.76 0.00 0.00 0.00 174.94 175.35 1xm3 s LEU 40 N 1.26 3.26 0.14 2.97 1.43 -0.58 -1.99 118.68 125.16 1xm3 s LEU 40 Ca 0.03 -0.08 0.09 0.00 -1.03 0.00 0.00 54.13 53.14 1xm3 s LEU 40 Cb -0.14 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1xm3 s LEU 40 CO -0.05 0.23 -0.18 0.28 0.23 0.00 0.00 176.35 176.87 1xm3 s THR 41 N -0.02 2.80 -0.05 5.49 -1.32 -0.02 -0.50 115.64 122.03 1xm3 s THR 41 Ca 0.01 -1.61 -0.29 0.00 -1.21 0.00 0.00 61.69 58.59 1xm3 s THR 41 Cb -0.13 -2.31 0.09 0.00 -1.51 0.00 0.00 72.50 68.64 1xm3 s THR 41 CO 0.03 0.04 0.80 0.72 -2.21 0.00 0.00 174.62 173.99 1xm3 s PHE 42 N -1.29 -0.50 -0.73 9.09 -0.71 -1.17 -0.84 117.98 121.81 1xm3 s PHE 42 Ca 0.19 0.71 -0.24 0.00 -1.04 0.00 0.00 56.93 56.56 1xm3 s PHE 42 Cb -0.10 0.46 0.06 0.00 -1.21 0.00 0.00 43.02 42.23 1xm3 s PHE 42 CO 0.11 -0.55 1.13 0.00 -1.34 0.00 0.00 175.22 174.56 1xm3 s ALA 43 N -1.84 2.97 0.38 1.99 0.00 -1.26 -0.71 121.76 123.28 1xm3 s ALA 43 Ca -0.04 -1.76 0.05 0.00 0.00 0.00 0.00 51.96 50.22 1xm3 s ALA 43 Cb -0.00 -4.07 0.75 0.00 0.00 0.00 0.00 23.12 19.80 1xm3 s ALA 43 CO 0.01 -3.04 2.01 -0.39 0.00 0.00 0.00 175.76 174.36 1xm3 h VAL 44 N 6.04 1.10 -0.19 0.00 -1.51 -1.92 -2.72 116.25 117.05 1xm3 h VAL 44 Ca -0.22 -0.25 0.05 0.00 -1.23 0.00 0.00 66.70 65.06 1xm3 h VAL 44 Cb 1.06 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 1xm3 h VAL 44 CO 1.23 0.13 0.19 -0.09 -1.23 0.00 0.00 177.57 177.80 1xm3 h ARG 45 N 0.71 0.00 -3.00 5.19 1.12 -1.84 -3.42 114.38 113.13 1xm3 h ARG 45 Ca 0.23 0.00 -0.81 0.00 -1.11 0.00 0.00 59.98 58.29 1xm3 h ARG 45 Cb 0.03 0.00 -0.27 0.00 -0.01 0.00 0.00 29.97 29.71 1xm3 h ARG 45 CO -0.06 0.00 0.82 0.54 -3.11 0.00 0.00 179.97 178.16 1xm3 n ARG 46 N -3.92 4.37 0.08 0.20 5.12 -1.03 -4.74 116.66 116.74 1xm3 n ARG 46 Ca 0.02 -4.50 -0.19 0.00 -1.93 0.00 0.00 57.85 51.25 1xm3 n ARG 46 Cb 0.32 -2.54 -0.15 0.00 -1.16 0.00 0.00 32.46 28.94 1xm3 n ARG 46 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 1xm3 h ASN 48 N 5.55 0.50 -0.20 0.55 -1.07 -1.65 -3.47 115.58 115.79 1xm3 h ASN 48 Ca 0.21 -0.68 0.06 0.00 0.07 0.00 0.00 56.30 55.96 1xm3 h ASN 48 Cb 0.64 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 36.71 1xm3 h ASN 48 CO 1.32 1.56 0.20 0.16 0.07 0.00 0.00 177.43 180.75 1xm3 h ILE 49 N 0.09 0.54 0.00 6.14 3.07 -1.90 -0.21 117.51 125.24 1xm3 h ILE 49 Ca -0.27 0.00 -0.13 0.00 1.55 0.00 0.00 64.86 66.02 1xm3 h ILE 49 Cb 2.05 0.84 -0.02 0.00 -0.27 0.00 0.00 36.82 39.43 1xm3 h ILE 49 CO 0.18 0.00 -1.42 0.49 -1.05 0.00 0.00 178.15 176.35 1xm3 n PHE 50 N -3.92 0.84 -3.65 0.16 3.01 -1.26 -4.94 117.46 107.70 1xm3 n PHE 50 Ca 0.02 0.27 -0.02 0.00 1.01 0.00 0.00 57.45 58.73 1xm3 n PHE 50 Cb 0.33 -1.00 -0.07 0.00 -0.01 0.00 0.00 39.48 38.73 1xm3 n PHE 50 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1xm3 s GLU 51 N -3.05 0.23 -0.03 -1.08 -1.05 -0.10 -5.05 118.70 108.57 1xm3 s GLU 51 Ca -0.03 0.35 0.01 0.00 -0.15 0.00 0.00 54.97 55.15 1xm3 s GLU 51 Cb 0.09 0.07 0.05 0.00 -0.44 0.00 0.00 34.13 33.90 1xm3 s GLU 51 CO 0.82 -0.04 0.88 0.00 0.95 0.00 0.00 175.26 177.86 1xm3 n ALA 52 N 2.93 2.67 0.58 -0.84 0.00 -1.18 -3.51 120.51 121.17 1xm3 n ALA 52 Ca -0.16 -0.18 0.10 0.00 0.00 0.00 0.00 53.44 53.20 1xm3 n ALA 52 Cb 0.57 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 19.12 1xm3 n ALA 52 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xm3 n SER 53 N 0.25 2.89 -3.91 0.00 3.41 -1.26 -4.93 113.62 110.07 1xm3 n SER 53 Ca 0.03 -1.87 -0.15 0.00 -0.26 0.00 0.00 58.87 56.62 1xm3 n SER 53 Cb 0.48 -0.09 -0.15 0.00 -0.26 0.00 0.00 64.21 64.19 1xm3 n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xm3 s GLN 54 N -1.52 0.32 0.83 4.33 -0.21 -1.23 -5.12 119.66 117.07 1xm3 s GLN 54 Ca 0.27 -0.09 -0.12 0.00 0.02 0.00 0.00 55.36 55.44 1xm3 s GLN 54 Cb 0.18 -0.35 0.10 0.00 1.00 0.00 0.00 33.01 33.93 1xm3 s GLN 54 CO 0.26 0.03 1.18 -2.14 -2.12 0.00 0.00 175.29 172.50 1xm3 s PRO 55 N 0.18 1.51 -0.00 2.91 0.02 -1.26 -3.35 135.00 135.01 1xm3 s PRO 55 Ca -0.02 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 62.60 1xm3 s PRO 55 Cb -0.04 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.66 1xm3 s PRO 55 CO -0.00 -2.30 0.28 0.54 -0.33 0.00 0.00 177.00 175.19 1xm3 s ASN 56 N -2.34 6.53 0.70 2.53 2.20 -1.26 -4.11 114.94 119.19 1xm3 s ASN 56 Ca 0.71 0.62 0.00 0.00 -0.94 0.00 0.00 52.86 53.25 1xm3 s ASN 56 Cb -0.27 -2.11 0.00 0.00 -2.00 0.00 0.00 41.25 36.87 1xm3 s ASN 56 CO 0.52 0.27 0.00 0.49 -2.94 0.00 0.00 177.10 175.45 1xm3 n PHE 57 N 1.29 -2.94 -1.24 1.54 3.72 -1.26 -4.22 117.46 114.34 1xm3 n PHE 57 Ca -0.12 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.17 1xm3 n PHE 57 Cb 0.53 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.03 1xm3 n PHE 57 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1xm3 n LEU 58 N 0.00 -0.35 -4.77 4.37 4.77 -1.26 -4.93 117.00 114.83 1xm3 n LEU 58 Ca 0.00 0.25 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 1xm3 n LEU 58 Cb 0.00 -2.44 -0.01 0.00 -2.33 0.00 0.00 43.42 38.64 1xm3 n LEU 58 CO 0.00 -0.93 0.82 -0.70 -1.33 0.00 0.00 177.39 175.25 1xm3 s GLU 59 N -2.75 3.79 -0.35 3.23 2.56 -1.26 -2.93 118.70 120.98 1xm3 s GLU 59 Ca 0.00 1.74 0.00 0.00 0.00 0.00 0.00 54.97 56.71 1xm3 s GLU 59 Cb 0.00 -2.41 0.00 0.00 2.00 0.00 0.00 34.13 33.72 1xm3 s GLU 59 CO 0.00 -0.52 0.00 1.04 -0.56 0.00 0.00 175.26 175.22 1xm3 n GLN 60 N -0.47 -1.55 -4.34 4.30 6.02 -1.26 -4.85 117.38 115.22 1xm3 n GLN 60 Ca 0.07 0.54 -0.35 0.00 -0.01 0.00 0.00 57.00 57.25 1xm3 n GLN 60 Cb 0.48 -4.77 -0.09 0.00 1.02 0.00 0.00 30.24 26.88 1xm3 n GLN 60 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xm3 s LEU 61 N -0.75 3.62 -1.14 1.08 1.43 -1.15 -4.98 118.68 116.78 1xm3 s LEU 61 Ca 0.00 0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 1xm3 s LEU 61 Cb 0.00 -1.83 0.12 0.00 0.03 0.00 0.00 46.19 44.51 1xm3 s LEU 61 CO 0.00 0.37 1.44 -0.62 0.23 0.00 0.00 176.35 177.77 1xm3 s ASP 62 N -0.83 6.85 0.65 2.29 -1.08 -1.26 -4.85 116.67 118.44 1xm3 s ASP 62 Ca 0.13 -2.48 0.20 0.00 -0.52 0.00 0.00 52.55 49.88 1xm3 s ASP 62 Cb -0.11 -2.46 1.04 0.00 -1.46 0.00 0.00 42.92 39.93 1xm3 s ASP 62 CO 0.02 -1.00 1.58 -0.07 0.52 0.00 0.00 175.17 176.22 1xm3 h LEU 63 N 10.88 0.00 -0.45 -1.34 4.07 -1.93 0.86 115.31 127.39 1xm3 h LEU 63 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.26 1xm3 h LEU 63 Cb 0.92 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1xm3 h LEU 63 CO 1.28 0.00 0.00 -0.24 -1.08 0.00 0.00 178.44 178.40 1xm3 n SER 64 N -2.91 0.74 -1.08 -0.43 2.88 -1.26 -2.87 113.62 108.68 1xm3 n SER 64 Ca 0.02 0.64 0.11 0.00 -1.33 0.00 0.00 58.87 58.31 1xm3 n SER 64 Cb 0.71 -0.81 0.26 0.00 -0.75 0.00 0.00 64.21 63.63 1xm3 n SER 64 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xm3 n LYS 65 N -2.26 2.39 -4.09 -1.46 4.76 0.30 -4.96 118.16 112.83 1xm3 n LYS 65 Ca 0.03 -2.13 -0.09 0.00 -2.87 0.00 0.00 58.31 53.26 1xm3 n LYS 65 Cb 0.31 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.91 1xm3 n LYS 65 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1xm3 s TYR 66 N -1.40 0.68 -0.21 2.13 2.02 -1.14 -4.95 117.35 114.49 1xm3 s TYR 66 Ca 0.39 -1.10 -0.09 0.00 -0.37 0.00 0.00 57.07 55.90 1xm3 s TYR 66 Cb 0.22 -0.38 -0.05 0.00 -0.40 0.00 0.00 41.96 41.35 1xm3 s TYR 66 CO 0.30 -0.52 0.12 0.99 -1.57 0.00 0.00 175.55 174.87 1xm3 s THR 67 N -4.00 5.24 -0.16 -0.71 2.01 0.03 -4.98 115.64 113.07 1xm3 s THR 67 Ca 0.18 0.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.14 1xm3 s THR 67 Cb 0.07 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 1xm3 s THR 67 CO -0.02 0.42 0.44 -0.76 -0.69 0.00 0.00 174.62 174.01 1xm3 s LEU 68 N 0.54 4.21 -0.69 4.42 2.01 -1.26 -1.52 118.68 126.39 1xm3 s LEU 68 Ca 0.07 0.67 0.05 0.00 0.01 0.00 0.00 54.13 54.92 1xm3 s LEU 68 Cb -0.12 -2.61 0.20 0.00 0.01 0.00 0.00 46.19 43.68 1xm3 s LEU 68 CO 0.00 -0.04 0.62 -0.11 1.01 0.00 0.00 176.35 177.82 1xm3 n LEU 69 N 4.10 3.40 -4.77 1.79 7.94 0.35 -1.86 117.00 127.95 1xm3 n LEU 69 Ca -0.08 -5.30 -0.36 0.00 -1.11 0.00 0.00 56.01 49.16 1xm3 n LEU 69 Cb 0.51 -0.74 0.01 0.00 0.53 0.00 0.00 43.42 43.72 1xm3 n LEU 69 CO 0.42 1.87 0.82 -2.16 -1.11 0.00 0.00 177.39 177.23 1xm3 s PRO 70 N -1.88 3.44 0.34 1.96 0.04 -1.26 -3.06 135.00 134.57 1xm3 s PRO 70 Ca 0.31 1.75 0.09 0.00 0.04 0.00 0.00 61.00 63.19 1xm3 s PRO 70 Cb 0.03 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 1xm3 s PRO 70 CO -0.10 -0.81 0.01 0.54 0.04 0.00 0.00 177.00 176.68 1xm3 s ASN 71 N -1.52 4.18 -0.49 6.66 2.20 0.11 -1.16 114.94 124.91 1xm3 s ASN 71 Ca 0.70 -1.00 0.03 0.00 -0.94 0.00 0.00 52.86 51.65 1xm3 s ASN 71 Cb -0.28 -0.53 0.62 0.00 -2.00 0.00 0.00 41.25 39.07 1xm3 s ASN 71 CO 0.32 -0.24 1.94 0.35 -2.94 0.00 0.00 177.10 176.54 1xm3 n THR 72 N -0.96 3.30 -1.65 0.54 -2.24 -0.94 -3.60 114.28 108.72 1xm3 n THR 72 Ca -0.04 -2.13 -0.45 0.00 -2.27 0.00 0.00 64.05 59.16 1xm3 n THR 72 Cb 0.62 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 1xm3 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xm3 n ALA 73 N -1.10 0.77 0.00 6.98 0.00 -1.26 -1.76 120.51 124.14 1xm3 n ALA 73 Ca 0.61 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.47 1xm3 n ALA 73 Cb 1.47 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1xm3 n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm3 n GLY 74 N 2.14 1.82 3.75 0.00 0.00 -1.26 -4.71 105.19 106.93 1xm3 n GLY 74 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1xm3 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 s ALA 75 N -1.97 3.49 -0.03 4.61 0.00 -0.73 -4.92 121.76 122.21 1xm3 s ALA 75 Ca 0.00 1.09 0.13 0.00 0.00 0.00 0.00 51.96 53.18 1xm3 s ALA 75 Cb 0.00 -3.45 -0.20 0.00 0.00 0.00 0.00 23.12 19.47 1xm3 s ALA 75 CO 0.00 -0.48 0.26 0.43 0.00 0.00 0.00 175.76 175.98 1xm3 n SER 76 N 1.95 1.95 -4.30 0.00 7.64 -1.26 -3.20 113.62 116.40 1xm3 n SER 76 Ca 0.03 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.75 1xm3 n SER 76 Cb 0.43 1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 65.04 1xm3 n SER 76 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1xm3 s THR 77 N -2.85 1.06 0.20 0.44 -4.23 -1.26 -4.86 115.64 104.14 1xm3 s THR 77 Ca -0.05 -2.04 -0.10 0.00 -1.18 0.00 0.00 61.69 58.32 1xm3 s THR 77 Cb 0.08 -2.19 0.13 0.00 1.34 0.00 0.00 72.50 71.86 1xm3 s THR 77 CO 0.55 -0.46 1.82 0.00 -0.54 0.00 0.00 174.62 175.99 1xm3 h ALA 78 N 2.57 0.86 -0.95 3.99 0.00 -1.96 -2.00 119.26 121.78 1xm3 h ALA 78 Ca -0.38 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xm3 h ALA 78 Cb 1.21 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 1xm3 h ALA 78 CO 0.64 0.09 0.61 0.93 0.00 0.00 0.00 179.25 181.52 1xm3 h GLU 79 N 0.72 1.08 -0.29 0.00 3.07 -1.96 0.24 114.58 117.44 1xm3 h GLU 79 Ca 0.28 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.94 1xm3 h GLU 79 Cb 0.11 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1xm3 h GLU 79 CO -0.15 0.71 -0.35 0.93 -1.40 0.00 0.00 179.01 178.75 1xm3 h GLU 80 N 1.11 0.64 -0.44 2.33 5.08 -1.82 -1.62 114.58 119.87 1xm3 h GLU 80 Ca 0.40 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1xm3 h GLU 80 Cb 0.15 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1xm3 h GLU 80 CO -0.15 0.90 0.14 0.00 -1.00 0.00 0.00 179.01 178.91 1xm3 h ALA 81 N 1.07 0.57 -0.66 3.43 0.00 -0.54 -1.90 119.26 121.24 1xm3 h ALA 81 Ca 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1xm3 h ALA 81 Cb 0.86 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1xm3 h ALA 81 CO 0.07 0.21 0.27 0.28 0.00 0.00 0.00 179.25 180.08 1xm3 h VAL 82 N 0.56 1.23 -0.20 0.00 2.07 -0.83 -0.68 116.25 118.39 1xm3 h VAL 82 Ca 0.14 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1xm3 h VAL 82 Cb 0.25 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1xm3 h VAL 82 CO -0.01 0.28 0.11 -0.09 0.02 0.00 0.00 177.57 177.89 1xm3 h ARG 83 N 0.94 0.28 -0.31 1.57 2.43 -0.96 -0.83 114.38 117.50 1xm3 h ARG 83 Ca 0.22 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1xm3 h ARG 83 Cb 0.17 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xm3 h ARG 83 CO -0.02 0.25 0.15 0.82 -1.51 0.00 0.00 179.97 179.66 1xm3 h ILE 84 N 0.23 1.15 -0.50 1.20 2.04 -1.03 -2.32 117.51 118.29 1xm3 h ILE 84 Ca 0.07 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1xm3 h ILE 84 Cb 0.05 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1xm3 h ILE 84 CO -0.01 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.61 1xm3 h ALA 85 N 1.01 0.63 -0.78 1.87 0.00 -0.97 -1.07 119.26 119.95 1xm3 h ALA 85 Ca 0.11 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xm3 h ALA 85 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1xm3 h ALA 85 CO -0.01 0.10 0.45 0.00 0.00 0.00 0.00 179.25 179.78 1xm3 h ARG 86 N 0.67 1.07 -0.46 0.00 3.08 -1.04 -1.60 114.38 116.10 1xm3 h ARG 86 Ca 0.18 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 1xm3 h ARG 86 Cb -0.05 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.77 1xm3 h ARG 86 CO -0.04 0.77 -0.15 1.25 -1.07 0.00 0.00 179.97 180.74 1xm3 h LEU 87 N 1.07 0.87 -0.67 3.04 5.85 -1.09 -0.58 115.31 123.80 1xm3 h LEU 87 Ca 0.28 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1xm3 h LEU 87 Cb 0.00 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 1xm3 h LEU 87 CO -0.05 1.02 0.30 0.00 -0.34 0.00 0.00 178.44 179.37 1xm3 h ALA 88 N 1.05 0.87 -0.39 1.25 0.00 -0.84 -0.74 119.26 120.47 1xm3 h ALA 88 Ca 0.12 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1xm3 h ALA 88 Cb 0.67 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1xm3 h ALA 88 CO 0.05 0.45 -0.19 -0.22 0.00 0.00 0.00 179.25 179.34 1xm3 h LYS 89 N 0.94 0.82 0.00 0.00 3.11 -1.07 -2.06 116.57 118.30 1xm3 h LYS 89 Ca 0.23 -0.36 -0.02 0.00 -2.81 0.00 0.00 60.65 57.68 1xm3 h LYS 89 Cb 0.15 -0.02 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1xm3 h LYS 89 CO -0.02 0.99 -0.12 0.00 -2.81 0.00 0.00 179.45 177.49 1xm3 h ALA 90 N 0.81 1.20 -0.01 5.00 0.00 -0.84 -2.29 119.26 123.13 1xm3 h ALA 90 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xm3 h ALA 90 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1xm3 h ALA 90 CO 0.06 0.15 -0.15 0.45 0.00 0.00 0.00 179.25 179.75 1xm3 n SER 91 N -3.52 1.00 -0.37 0.00 2.88 -0.31 -4.94 113.62 108.36 1xm3 n SER 91 Ca -0.01 -0.99 -0.04 0.00 -1.33 0.00 0.00 58.87 56.50 1xm3 n SER 91 Cb 0.26 0.05 -0.01 0.00 -0.75 0.00 0.00 64.21 63.76 1xm3 n SER 91 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xm3 n GLY 92 N 1.27 0.40 1.15 0.46 0.00 -0.86 -4.95 105.19 102.66 1xm3 n GLY 92 Ca 0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 1xm3 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xm3 n LEU 93 N -0.50 3.25 -3.58 0.99 4.77 -0.80 -5.00 117.00 116.14 1xm3 n LEU 93 Ca -0.04 -4.03 -0.21 0.00 -0.03 0.00 0.00 56.01 51.70 1xm3 n LEU 93 Cb 0.37 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 1xm3 n LEU 93 CO 0.05 1.56 -0.26 0.00 -1.33 0.00 0.00 177.39 177.41 1xm3 n ASP 95 N 5.31 1.63 -3.78 0.00 8.00 -0.78 -4.87 116.55 122.06 1xm3 n ASP 95 Ca -0.06 -1.32 -0.13 0.00 0.71 0.00 0.00 54.79 53.99 1xm3 n ASP 95 Cb 0.49 0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 42.03 1xm3 n ASP 95 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1xm3 s ILE 97 N -2.28 -0.03 -0.38 0.53 1.10 -0.34 -4.64 121.20 115.15 1xm3 s ILE 97 Ca 0.14 0.13 -0.17 0.00 -0.51 0.00 0.00 60.65 60.24 1xm3 s ILE 97 Cb 0.15 -0.20 0.00 0.00 0.15 0.00 0.00 42.46 42.56 1xm3 s ILE 97 CO 0.54 0.05 0.43 -0.75 -2.11 0.00 0.00 174.94 173.10 1xm3 s LYS 98 N 0.82 3.37 -0.33 3.50 2.20 -0.31 -1.31 119.74 127.68 1xm3 s LYS 98 Ca -0.06 -0.51 -0.26 0.00 -0.36 0.00 0.00 55.97 54.77 1xm3 s LYS 98 Cb -0.08 -3.88 0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1xm3 s LYS 98 CO -0.04 -0.69 0.92 0.08 -0.36 0.00 0.00 175.35 175.25 1xm3 s VAL 99 N 2.15 4.64 -0.18 4.02 1.01 -0.57 -2.21 120.40 129.26 1xm3 s VAL 99 Ca 0.13 1.35 -0.02 0.00 0.00 0.00 0.00 61.98 63.44 1xm3 s VAL 99 Cb -0.16 -4.29 0.05 0.00 0.00 0.00 0.00 36.38 31.98 1xm3 s VAL 99 CO 0.13 -0.41 0.01 -0.70 0.00 0.00 0.00 175.10 174.13 1xm3 s GLU 100 N 3.32 0.90 -0.39 2.72 2.12 -1.26 -0.83 118.70 125.29 1xm3 s GLU 100 Ca 0.38 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.28 1xm3 s GLU 100 Cb -0.13 -2.03 0.12 0.00 0.26 0.00 0.00 34.13 32.34 1xm3 s GLU 100 CO 0.15 -0.56 0.16 0.08 -0.54 0.00 0.00 175.26 174.55 1xm3 s VAL 101 N 1.77 1.63 0.08 3.70 1.01 -1.26 -4.21 120.40 123.13 1xm3 s VAL 101 Ca -0.01 -2.29 -0.31 0.00 0.00 0.00 0.00 61.98 59.38 1xm3 s VAL 101 Cb -0.16 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.98 1xm3 s VAL 101 CO -0.07 -0.75 1.24 -0.63 0.00 0.00 0.00 175.10 174.89 1xm3 s ILE 102 N 0.75 3.83 -0.66 2.22 1.01 -1.20 -0.90 121.20 126.26 1xm3 s ILE 102 Ca 0.14 1.33 0.07 0.00 0.00 0.00 0.00 60.65 62.19 1xm3 s ILE 102 Cb -0.21 -3.85 0.19 0.00 0.01 0.00 0.00 42.46 38.60 1xm3 s ILE 102 CO -0.09 0.11 1.13 0.61 0.00 0.00 0.00 174.94 176.70 1xm3 n GLY 103 N 3.19 2.50 2.88 6.18 0.00 -0.40 -4.63 105.19 114.90 1xm3 n GLY 103 Ca 0.09 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 1xm3 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 h SER 105 N 8.34 0.00 0.00 0.00 4.64 -1.93 0.22 113.55 124.82 1xm3 h SER 105 Ca -0.13 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.14 1xm3 h SER 105 Cb 1.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1xm3 h SER 105 CO 0.15 0.21 -0.37 -0.09 -0.87 0.00 0.00 176.83 175.86 1xm3 h ARG 106 N 0.00 0.00 0.00 4.77 2.43 -2.00 -3.39 114.38 116.19 1xm3 h ARG 106 Ca -0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1xm3 h ARG 106 Cb 0.66 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1xm3 h ARG 106 CO 0.03 0.54 -0.93 0.66 -1.51 0.00 0.00 179.97 178.75 1xm3 h SER 107 N -1.00 0.00 -0.52 -3.80 4.64 -2.00 -3.48 113.55 107.40 1xm3 h SER 107 Ca -0.08 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.02 1xm3 h SER 107 Cb 0.69 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.70 1xm3 h SER 107 CO -0.05 0.21 -0.20 0.18 -0.87 0.00 0.00 176.83 176.11 1xm3 n LEU 108 N -2.85 -0.69 -4.80 5.97 4.77 0.76 -4.31 117.00 115.86 1xm3 n LEU 108 Ca -0.02 0.27 -0.34 0.00 -0.03 0.00 0.00 56.01 55.89 1xm3 n LEU 108 Cb 0.65 -1.95 -0.03 0.00 -2.33 0.00 0.00 43.42 39.75 1xm3 n LEU 108 CO 0.40 -0.68 0.72 -0.76 -1.33 0.00 0.00 177.39 175.74 1xm3 s LEU 109 N -2.48 3.83 0.51 2.23 1.43 -1.26 -4.65 118.68 118.30 1xm3 s LEU 109 Ca 0.00 1.94 -0.20 0.00 -1.03 0.00 0.00 54.13 54.83 1xm3 s LEU 109 Cb 0.00 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.59 1xm3 s LEU 109 CO 0.00 -0.81 1.13 -2.16 0.23 0.00 0.00 176.35 174.74 1xm3 s PRO 110 N -3.25 3.51 -0.41 1.29 0.04 -1.26 -1.28 135.00 133.63 1xm3 s PRO 110 Ca 0.67 1.63 -0.22 0.00 0.04 0.00 0.00 61.00 63.13 1xm3 s PRO 110 Cb -0.17 -2.12 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1xm3 s PRO 110 CO 0.20 -0.73 0.71 0.34 0.04 0.00 0.00 177.00 177.57 1xm3 s ASP 111 N -1.68 6.41 0.20 6.66 -1.08 -0.07 -4.60 116.67 122.51 1xm3 s ASP 111 Ca 0.70 -0.04 -0.10 0.00 -0.52 0.00 0.00 52.55 52.58 1xm3 s ASP 111 Cb -0.24 -2.35 0.14 0.00 -1.46 0.00 0.00 42.92 39.01 1xm3 s ASP 111 CO 0.28 -0.78 1.84 1.55 0.52 0.00 0.00 175.17 178.58 1xm3 h PRO 112 N 8.76 1.02 -0.18 4.34 0.13 -1.95 -0.92 132.00 143.19 1xm3 h PRO 112 Ca -0.25 -0.10 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 1xm3 h PRO 112 Cb 1.10 -0.21 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 1xm3 h PRO 112 CO 0.91 0.74 0.05 0.28 -0.23 0.00 0.00 178.00 179.74 1xm3 h VAL 113 N 1.02 1.19 -0.03 1.56 2.07 -1.98 -1.10 116.25 118.98 1xm3 h VAL 113 Ca 0.26 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 1xm3 h VAL 113 Cb -0.01 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1xm3 h VAL 113 CO -0.05 0.19 -0.53 -0.33 0.02 0.00 0.00 177.57 176.87 1xm3 h GLU 114 N 0.12 0.09 -0.34 1.57 4.39 -1.93 -1.78 114.58 116.69 1xm3 h GLU 114 Ca 0.06 -0.05 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 1xm3 h GLU 114 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1xm3 h GLU 114 CO -0.00 0.60 -0.34 1.15 -1.16 0.00 0.00 179.01 179.26 1xm3 h THR 115 N 0.07 1.28 -0.51 1.13 2.02 -1.02 0.13 112.91 116.01 1xm3 h THR 115 Ca -0.00 -1.51 -0.03 0.00 0.77 0.00 0.00 66.41 65.64 1xm3 h THR 115 Cb 0.97 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1xm3 h THR 115 CO 0.07 0.50 0.22 -0.07 0.37 0.00 0.00 175.52 176.61 1xm3 h LEU 116 N 0.62 0.70 -0.17 2.58 4.07 -1.09 -0.86 115.31 121.16 1xm3 h LEU 116 Ca 0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1xm3 h LEU 116 Cb 0.93 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1xm3 h LEU 116 CO 0.08 0.67 0.07 0.50 -1.08 0.00 0.00 178.44 178.68 1xm3 h LYS 117 N 0.69 0.24 -0.63 1.13 3.64 -1.14 -1.84 116.57 118.66 1xm3 h LYS 117 Ca 0.17 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1xm3 h LYS 117 Cb 0.18 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1xm3 h LYS 117 CO -0.02 0.30 0.03 0.00 -2.27 0.00 0.00 179.45 177.50 1xm3 h ALA 118 N 0.93 0.86 -0.48 5.00 0.00 -0.91 -2.12 119.26 122.54 1xm3 h ALA 118 Ca 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xm3 h ALA 118 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xm3 h ALA 118 CO -0.01 0.67 0.25 0.77 0.00 0.00 0.00 179.25 180.94 1xm3 h SER 119 N 1.00 0.62 -0.45 0.00 0.02 -1.05 -0.70 113.55 112.99 1xm3 h SER 119 Ca 0.18 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1xm3 h SER 119 Cb 0.53 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1xm3 h SER 119 CO 0.03 0.55 0.15 -0.08 -1.14 0.00 0.00 176.83 176.33 1xm3 h GLU 120 N 0.64 0.70 -0.16 3.45 4.81 -1.22 -1.74 114.58 121.06 1xm3 h GLU 120 Ca 0.17 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1xm3 h GLU 120 Cb 0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1xm3 h GLU 120 CO -0.02 0.66 0.06 0.37 -0.73 0.00 0.00 179.01 179.35 1xm3 h GLN 121 N 0.59 0.24 -0.05 1.92 5.75 -1.19 -2.25 115.11 120.12 1xm3 h GLN 121 Ca 0.15 -0.05 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1xm3 h GLN 121 Cb 0.25 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 1xm3 h GLN 121 CO -0.01 0.33 -0.22 -0.07 -2.65 0.00 0.00 178.83 176.22 1xm3 h LEU 122 N 0.09 0.07 -0.35 -2.39 3.38 -1.07 -1.89 115.31 113.15 1xm3 h LEU 122 Ca 0.05 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1xm3 h LEU 122 Cb 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1xm3 h LEU 122 CO -0.00 0.30 -0.06 -0.07 0.09 0.00 0.00 178.44 178.70 1xm3 h LEU 123 N 0.07 0.66 -1.75 1.67 3.38 -1.13 -1.55 115.31 116.66 1xm3 h LEU 123 Ca 0.01 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1xm3 h LEU 123 Cb 0.43 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1xm3 h LEU 123 CO 0.03 0.85 0.19 -0.08 0.09 0.00 0.00 178.44 179.52 1xm3 h GLU 124 N 0.45 0.33 -0.08 1.13 4.81 -0.81 -0.66 114.58 119.76 1xm3 h GLU 124 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1xm3 h GLU 124 Cb 0.55 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1xm3 h GLU 124 CO 0.03 0.22 0.00 0.39 -0.73 0.00 0.00 179.01 178.92 1xm3 n GLU 125 N -4.49 1.27 -0.68 1.92 1.02 -0.77 -4.90 120.64 114.01 1xm3 n GLU 125 Ca 0.02 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 1xm3 n GLU 125 Cb 0.10 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1xm3 n GLU 125 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xm3 n GLY 126 N 0.85 0.64 3.88 0.62 0.00 -0.25 -5.06 105.19 105.86 1xm3 n GLY 126 Ca 0.11 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 1xm3 n GLY 126 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xm3 s PHE 127 N -2.00 3.56 -0.35 1.61 0.40 -0.62 -5.02 117.98 115.56 1xm3 s PHE 127 Ca 0.00 1.13 -0.17 0.00 -0.60 0.00 0.00 56.93 57.29 1xm3 s PHE 127 Cb 0.00 -2.67 -0.00 0.00 0.51 0.00 0.00 43.02 40.86 1xm3 s PHE 127 CO 0.00 -0.66 0.44 0.42 0.70 0.00 0.00 175.22 176.12 1xm3 s ILE 128 N -3.09 5.09 -0.16 0.64 -1.09 -1.26 -4.62 121.20 116.70 1xm3 s ILE 128 Ca 0.54 0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 59.04 1xm3 s ILE 128 Cb -0.11 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1xm3 s ILE 128 CO 0.51 -0.19 0.02 -0.69 -1.23 0.00 0.00 174.94 173.37 1xm3 s VAL 129 N 2.21 4.44 -0.32 2.92 1.01 -1.26 -1.19 120.40 128.21 1xm3 s VAL 129 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1xm3 s VAL 129 Cb -0.16 -2.97 0.10 0.00 0.00 0.00 0.00 36.38 33.35 1xm3 s VAL 129 CO 0.13 0.49 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1xm3 s LEU 130 N 0.20 2.84 0.05 3.92 1.02 -0.43 -0.72 118.68 125.57 1xm3 s LEU 130 Ca 0.02 -1.76 -0.27 0.00 0.02 0.00 0.00 54.13 52.13 1xm3 s LEU 130 Cb -0.13 -1.05 -0.05 0.00 0.02 0.00 0.00 46.19 44.99 1xm3 s LEU 130 CO 0.01 -0.41 0.86 -2.16 0.02 0.00 0.00 176.35 174.67 1xm3 s PRO 131 N 1.45 4.57 -0.03 1.29 0.04 -1.25 -1.51 135.00 139.56 1xm3 s PRO 131 Ca 0.10 1.23 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 1xm3 s PRO 131 Cb -0.18 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 30.94 1xm3 s PRO 131 CO -0.21 0.20 0.88 -0.47 0.04 0.00 0.00 177.00 177.44 1xm3 s TYR 132 N 0.18 3.63 0.34 0.56 5.04 -0.01 -4.59 117.35 122.50 1xm3 s TYR 132 Ca 0.43 1.54 0.05 0.00 -2.44 0.00 0.00 57.07 56.65 1xm3 s TYR 132 Cb -0.21 -3.01 -0.02 0.00 0.35 0.00 0.00 41.96 39.07 1xm3 s TYR 132 CO 0.26 0.02 0.34 -0.08 -1.34 0.00 0.00 175.55 174.74 1xm3 s THR 133 N 0.96 0.00 0.00 4.34 -1.32 -1.26 -4.81 115.64 113.55 1xm3 s THR 133 Ca 0.47 -1.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1xm3 s THR 133 Cb -0.20 -2.55 0.00 0.00 -1.51 0.00 0.00 72.50 68.24 1xm3 s THR 133 CO 0.24 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 171.11 1xm3 n SER 134 N -1.55 0.00 -2.01 8.08 3.41 -1.26 -1.17 113.62 119.13 1xm3 n SER 134 Ca 0.06 -0.96 -0.07 0.00 -0.26 0.00 0.00 58.87 57.63 1xm3 n SER 134 Cb 0.62 0.00 0.29 0.00 -0.26 0.00 0.00 64.21 64.86 1xm3 n SER 134 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xm3 n ASP 135 N -2.89 4.72 -4.63 4.04 5.68 -1.26 -4.28 116.55 117.93 1xm3 n ASP 135 Ca 0.00 -3.20 -0.43 0.00 -0.50 0.00 0.00 54.79 50.66 1xm3 n ASP 135 Cb 0.00 -0.75 -0.02 0.00 -1.14 0.00 0.00 41.12 39.21 1xm3 n ASP 135 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xm3 s ASP 136 N -0.96 6.36 0.09 -1.12 -1.08 -1.26 -4.72 116.67 113.98 1xm3 s ASP 136 Ca 0.54 1.56 -0.27 0.00 -0.52 0.00 0.00 52.55 53.85 1xm3 s ASP 136 Cb 0.43 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 39.22 1xm3 s ASP 136 CO 0.13 -1.28 1.68 0.58 0.52 0.00 0.00 175.17 176.80 1xm3 h VAL 137 N 6.18 0.62 -0.31 1.11 2.07 -1.90 -2.45 116.25 121.57 1xm3 h VAL 137 Ca -0.33 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.10 1xm3 h VAL 137 Cb 1.15 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 1xm3 h VAL 137 CO 1.01 0.00 -0.20 0.58 0.02 0.00 0.00 177.57 178.98 1xm3 h VAL 138 N -0.43 1.26 -0.97 2.57 2.07 -1.99 -2.54 116.25 116.22 1xm3 h VAL 138 Ca -0.02 -1.20 0.07 0.00 0.82 0.00 0.00 66.70 66.36 1xm3 h VAL 138 Cb 0.37 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.31 1xm3 h VAL 138 CO 0.01 0.39 0.62 0.25 0.02 0.00 0.00 177.57 178.87 1xm3 h LEU 139 N 0.51 0.98 -0.43 2.57 5.85 -1.94 -0.07 115.31 122.77 1xm3 h LEU 139 Ca 0.08 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1xm3 h LEU 139 Cb 0.62 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1xm3 h LEU 139 CO 0.04 0.62 0.27 0.00 -0.34 0.00 0.00 178.44 179.04 1xm3 h ALA 140 N 1.48 0.54 -0.39 1.25 0.00 -1.01 -1.16 119.26 119.98 1xm3 h ALA 140 Ca 0.42 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1xm3 h ALA 140 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xm3 h ALA 140 CO -0.17 -0.03 -0.06 -0.09 0.00 0.00 0.00 179.25 178.91 1xm3 h ARG 141 N 0.56 0.65 -0.85 0.00 2.43 -1.19 -1.32 114.38 114.66 1xm3 h ARG 141 Ca 0.16 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xm3 h ARG 141 Cb -0.04 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1xm3 h ARG 141 CO -0.05 0.71 0.52 0.87 -1.51 0.00 0.00 179.97 180.51 1xm3 h LYS 142 N 0.61 1.15 -0.30 0.20 1.79 -0.37 0.49 116.57 120.14 1xm3 h LYS 142 Ca 0.12 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 1xm3 h LYS 142 Cb 0.47 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1xm3 h LYS 142 CO 0.02 0.80 0.04 -0.07 -1.08 0.00 0.00 179.45 179.17 1xm3 h LEU 143 N 1.17 0.48 -1.03 2.94 3.38 -0.71 -2.67 115.31 118.87 1xm3 h LEU 143 Ca 0.31 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 58.07 1xm3 h LEU 143 Cb -0.06 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.50 1xm3 h LEU 143 CO -0.06 0.63 0.65 -0.33 0.09 0.00 0.00 178.44 179.41 1xm3 h GLU 144 N 0.31 1.14 0.00 1.13 5.08 -0.76 -1.30 114.58 120.19 1xm3 h GLU 144 Ca 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xm3 h GLU 144 Cb 0.36 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xm3 h GLU 144 CO 0.01 0.76 0.00 0.93 -1.00 0.00 0.00 179.01 179.70 1xm3 h GLU 145 N 1.18 0.00 0.00 2.33 5.08 -0.57 0.09 114.58 122.68 1xm3 h GLU 145 Ca 0.42 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.71 1xm3 h GLU 145 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1xm3 h GLU 145 CO -0.16 0.00 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.41 1xm3 h LEU 146 N 0.00 0.00 0.00 1.33 3.38 -1.05 -3.47 115.31 115.50 1xm3 h LEU 146 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xm3 h LEU 146 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xm3 h LEU 146 CO 0.00 0.36 0.00 0.61 0.09 0.00 0.00 178.44 179.50 1xm3 n GLY 147 N 0.68 1.54 3.72 0.83 0.00 0.02 -4.99 105.19 106.99 1xm3 n GLY 147 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1xm3 n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xm3 s VAL 148 N -2.00 2.54 -1.60 1.61 -7.23 -1.24 -4.92 120.40 107.56 1xm3 s VAL 148 Ca 0.00 0.22 0.26 0.00 -1.81 0.00 0.00 61.98 60.65 1xm3 s VAL 148 Cb 0.00 -2.60 0.22 0.00 0.56 0.00 0.00 36.38 34.56 1xm3 s VAL 148 CO 0.00 -0.19 1.54 1.41 -0.31 0.00 0.00 175.10 177.55 1xm3 n HIS 149 N -3.29 0.00 -3.55 2.82 8.25 0.10 -4.90 115.22 114.64 1xm3 n HIS 149 Ca 0.12 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.51 1xm3 n HIS 149 Cb 0.51 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 1xm3 n HIS 149 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xm3 s ALA 150 N -2.60 -1.94 0.00 -1.41 0.00 -1.22 -4.29 121.76 110.30 1xm3 s ALA 150 Ca 0.22 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1xm3 s ALA 150 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1xm3 s ALA 150 CO 0.56 -0.58 0.00 0.44 0.00 0.00 0.00 175.76 176.18 1xm3 n ILE 151 N -0.01 0.00 -3.65 0.00 -5.35 -0.52 -3.78 119.36 106.05 1xm3 n ILE 151 Ca -0.05 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.39 1xm3 n ILE 151 Cb 0.60 0.00 -0.07 0.00 -1.74 0.00 0.00 39.64 38.43 1xm3 n ILE 151 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1xm3 s PRO 153 N -1.99 0.11 0.28 6.28 0.04 -1.23 -1.47 135.00 137.02 1xm3 s PRO 153 Ca 0.00 0.12 -0.25 0.00 0.04 0.00 0.00 61.00 60.91 1xm3 s PRO 153 Cb 0.00 0.06 -0.09 0.00 0.04 0.00 0.00 34.50 34.50 1xm3 s PRO 153 CO 0.00 -0.02 0.88 0.20 0.04 0.00 0.00 177.00 178.10 1xm3 s GLY 154 N -0.12 2.80 0.16 0.56 0.00 -0.31 -1.48 107.32 108.91 1xm3 s GLY 154 Ca 0.07 0.44 -0.09 0.00 0.00 0.00 0.00 44.72 45.14 1xm3 s GLY 154 CO -0.13 0.88 1.50 0.00 0.00 0.00 0.00 173.10 175.34 1xm3 h ALA 155 N 3.40 0.63 -2.86 3.20 0.00 -1.55 -3.41 119.26 118.66 1xm3 h ALA 155 Ca -0.47 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 54.03 1xm3 h ALA 155 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1xm3 h ALA 155 CO 0.65 0.67 0.36 -1.54 0.00 0.00 0.00 179.25 179.40 1xm3 s SER 156 N -6.84 -0.02 0.51 0.00 1.04 -1.24 -1.69 113.70 105.46 1xm3 s SER 156 Ca -0.10 -0.96 -0.22 0.00 0.48 0.00 0.00 55.95 55.14 1xm3 s SER 156 Cb 0.11 0.74 -0.07 0.00 0.10 0.00 0.00 66.02 66.90 1xm3 s SER 156 CO 0.87 -1.46 1.10 -2.65 0.98 0.00 0.00 173.24 172.08 1xm3 n PRO 157 N -0.57 1.36 -1.64 4.02 -0.02 -1.26 -4.01 135.00 132.88 1xm3 n PRO 157 Ca -0.07 0.50 -0.50 0.00 -2.02 0.00 0.00 63.50 61.41 1xm3 n PRO 157 Cb 0.60 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 1xm3 n PRO 157 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1xm3 n ILE 158 N -0.97 0.08 -0.93 4.25 5.41 -1.26 -1.34 119.36 124.59 1xm3 n ILE 158 Ca 0.10 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.84 1xm3 n ILE 158 Cb 0.43 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.13 1xm3 n ILE 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1xm3 n GLY 159 N 3.19 0.42 0.15 7.39 0.00 -1.26 -4.89 105.19 110.20 1xm3 n GLY 159 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1xm3 n GLY 159 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xm3 h SER 160 N 0.00 0.00 -0.11 1.61 4.64 -1.52 -3.47 113.55 114.70 1xm3 h SER 160 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1xm3 h SER 160 Cb 0.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 1xm3 h SER 160 CO 0.00 0.56 -0.04 0.61 -0.87 0.00 0.00 176.83 177.09 1xm3 n GLY 161 N 0.30 0.40 0.00 -0.77 0.00 -1.26 -4.88 105.19 98.98 1xm3 n GLY 161 Ca -0.01 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1xm3 n GLY 161 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xm3 n GLN 162 N -0.91 0.02 0.00 1.61 6.02 -1.20 -4.00 117.38 118.92 1xm3 n GLN 162 Ca -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1xm3 n GLN 162 Cb 0.33 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1xm3 n GLN 162 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xm3 n GLY 163 N 1.49 -1.50 3.64 1.08 0.00 0.14 -4.75 105.19 105.29 1xm3 n GLY 163 Ca 0.06 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 1xm3 n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xm3 s ILE 164 N 0.00 4.29 -0.10 -0.61 1.10 -1.26 -3.59 121.20 121.03 1xm3 s ILE 164 Ca 0.00 1.48 0.15 0.00 -0.51 0.00 0.00 60.65 61.78 1xm3 s ILE 164 Cb 0.00 -4.24 -0.12 0.00 0.15 0.00 0.00 42.46 38.26 1xm3 s ILE 164 CO 0.00 -0.44 0.95 -0.07 -2.11 0.00 0.00 174.94 173.27 1xm3 h LEU 165 N 10.46 0.00 -6.31 8.50 3.38 -1.62 -3.41 115.31 126.31 1xm3 h LEU 165 Ca -0.24 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.14 1xm3 h LEU 165 Cb 1.08 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.44 1xm3 h LEU 165 CO 1.03 0.65 -0.89 -3.20 0.09 0.00 0.00 178.44 176.12 1xm3 n ASN 166 N -3.01 1.12 0.19 -0.43 2.85 -1.26 -4.96 115.26 109.76 1xm3 n ASN 166 Ca -0.08 -2.83 0.13 0.00 -0.11 0.00 0.00 54.58 51.70 1xm3 n ASN 166 Cb 0.85 -0.64 0.72 0.00 1.24 0.00 0.00 39.78 41.95 1xm3 n ASN 166 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1xm3 h PRO 167 N 4.71 0.00 0.02 1.20 0.13 -1.95 -2.12 132.00 133.98 1xm3 h PRO 167 Ca 0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1xm3 h PRO 167 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xm3 h PRO 167 CO 0.55 0.00 -0.01 1.25 -0.23 0.00 0.00 178.00 179.56 1xm3 h LEU 168 N 0.00 -0.02 -0.72 1.56 5.85 -1.99 0.71 115.31 120.70 1xm3 h LEU 168 Ca 0.08 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1xm3 h LEU 168 Cb 0.35 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1xm3 h LEU 168 CO -0.00 0.15 0.29 0.78 -0.34 0.00 0.00 178.44 179.32 1xm3 h ASN 169 N -0.19 0.99 -0.74 1.25 4.21 -1.77 -1.45 115.58 117.88 1xm3 h ASN 169 Ca -0.00 -0.17 -0.03 0.00 1.21 0.00 0.00 56.30 57.31 1xm3 h ASN 169 Cb 0.18 -0.26 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 1xm3 h ASN 169 CO 0.00 0.89 0.35 0.25 -1.29 0.00 0.00 177.43 177.64 1xm3 h LEU 170 N 1.03 0.98 -0.54 1.61 5.85 -1.27 -0.69 115.31 122.29 1xm3 h LEU 170 Ca 0.24 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xm3 h LEU 170 Cb 0.21 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1xm3 h LEU 170 CO -0.02 0.84 0.33 0.28 -0.34 0.00 0.00 178.44 179.53 1xm3 h SER 171 N 1.07 0.64 -0.71 1.25 0.02 -0.28 -0.26 113.55 115.28 1xm3 h SER 171 Ca 0.26 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 1xm3 h SER 171 Cb 0.12 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1xm3 h SER 171 CO -0.03 0.49 0.34 -0.26 -1.14 0.00 0.00 176.83 176.23 1xm3 h PHE 172 N 0.72 1.02 -0.36 3.45 0.04 -0.60 -0.56 116.94 120.65 1xm3 h PHE 172 Ca 0.19 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.88 1xm3 h PHE 172 Cb -0.04 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.78 1xm3 h PHE 172 CO -0.03 0.76 0.10 0.82 -0.60 0.00 0.00 178.31 179.36 1xm3 h ILE 173 N 0.99 1.22 -0.41 -0.55 2.04 -0.68 -2.29 117.51 117.83 1xm3 h ILE 173 Ca 0.24 -0.72 -0.10 0.00 1.00 0.00 0.00 64.86 65.28 1xm3 h ILE 173 Cb 0.12 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1xm3 h ILE 173 CO -0.03 0.25 -0.12 0.16 0.00 0.00 0.00 178.15 178.40 1xm3 h ILE 174 N 0.44 1.28 0.00 -0.67 3.07 -0.90 -2.41 117.51 118.31 1xm3 h ILE 174 Ca 0.12 -1.24 -0.04 0.00 1.55 0.00 0.00 64.86 65.25 1xm3 h ILE 174 Cb 0.28 1.22 -0.01 0.00 -0.27 0.00 0.00 36.82 38.04 1xm3 h ILE 174 CO -0.00 0.42 -0.20 -0.33 -1.05 0.00 0.00 178.15 176.99 1xm3 h GLU 175 N 0.63 0.00 0.00 0.16 5.08 -1.03 -3.02 114.58 116.41 1xm3 h GLU 175 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1xm3 h GLU 175 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1xm3 h GLU 175 CO 0.05 0.20 -1.32 0.00 -1.00 0.00 0.00 179.01 176.93 1xm3 n GLN 176 N -3.82 0.48 -1.75 2.33 10.64 -0.87 -5.00 117.38 119.40 1xm3 n GLN 176 Ca -0.02 -0.03 -0.39 0.00 -1.83 0.00 0.00 57.00 54.73 1xm3 n GLN 176 Cb 0.30 -1.63 0.03 0.00 -0.86 0.00 0.00 30.24 28.08 1xm3 n GLN 176 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xm3 n ALA 177 N -2.05 1.71 0.25 2.61 0.00 -0.91 -4.94 120.51 117.17 1xm3 n ALA 177 Ca -0.00 0.17 0.03 0.00 0.00 0.00 0.00 53.44 53.63 1xm3 n ALA 177 Cb 0.51 -2.36 0.01 0.00 0.00 0.00 0.00 19.45 17.61 1xm3 n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xm3 n LYS 178 N -0.71 1.05 -4.33 0.00 5.02 -1.26 -5.00 118.16 112.92 1xm3 n LYS 178 Ca 0.09 -0.66 -0.17 0.00 -2.02 0.00 0.00 58.31 55.55 1xm3 n LYS 178 Cb 0.43 -1.03 -0.10 0.00 -0.02 0.00 0.00 35.03 34.31 1xm3 n LYS 178 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1xm3 s VAL 179 N -0.72 1.03 0.69 -0.18 -7.23 -1.26 -5.13 120.40 107.61 1xm3 s VAL 179 Ca 0.06 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.03 1xm3 s VAL 179 Cb 0.05 -2.33 0.02 0.00 0.56 0.00 0.00 36.38 34.67 1xm3 s VAL 179 CO 0.11 -0.33 1.26 -2.16 -0.31 0.00 0.00 175.10 173.66 1xm3 s PRO 180 N -3.86 2.30 -0.19 4.82 0.04 -1.26 -4.78 135.00 132.07 1xm3 s PRO 180 Ca 0.28 1.94 0.01 0.00 0.04 0.00 0.00 61.00 63.27 1xm3 s PRO 180 Cb 0.06 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1xm3 s PRO 180 CO 0.08 -1.76 -0.18 0.08 0.04 0.00 0.00 177.00 175.27 1xm3 s VAL 181 N -1.66 2.20 -0.19 -0.36 1.01 -1.26 -1.44 120.40 118.70 1xm3 s VAL 181 Ca 0.79 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1xm3 s VAL 181 Cb -0.34 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1xm3 s VAL 181 CO 0.43 0.48 -0.19 -0.51 0.00 0.00 0.00 175.10 175.30 1xm3 s ILE 182 N 1.29 2.06 -0.02 2.22 2.07 -0.55 -0.57 121.20 127.71 1xm3 s ILE 182 Ca 0.04 -1.00 -0.30 0.00 -1.41 0.00 0.00 60.65 57.98 1xm3 s ILE 182 Cb -0.14 -1.89 -0.05 0.00 0.13 0.00 0.00 42.46 40.51 1xm3 s ILE 182 CO -0.11 0.49 1.46 -0.69 -1.91 0.00 0.00 174.94 174.17 1xm3 s VAL 183 N 1.28 3.68 -0.24 4.00 1.01 -0.70 -3.55 120.40 125.87 1xm3 s VAL 183 Ca 0.04 1.01 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 1xm3 s VAL 183 Cb -0.14 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1xm3 s VAL 183 CO -0.12 -0.03 -0.06 -0.62 0.00 0.00 0.00 175.10 174.28 1xm3 s ASP 184 N 2.19 4.29 0.30 3.32 3.68 -0.55 -0.67 116.67 129.23 1xm3 s ASP 184 Ca 0.66 -0.74 0.00 0.00 2.13 0.00 0.00 52.55 54.59 1xm3 s ASP 184 Cb -0.32 -1.68 0.00 0.00 -1.45 0.00 0.00 42.92 39.47 1xm3 s ASP 184 CO 0.26 -0.10 0.00 0.00 0.13 0.00 0.00 175.17 175.46 1xm3 n ALA 185 N 4.71 -3.33 -0.72 3.66 0.00 -0.58 -3.69 120.51 120.56 1xm3 n ALA 185 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1xm3 n ALA 185 Cb 0.48 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1xm3 n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm3 n GLY 186 N -3.48 0.81 3.79 0.00 0.00 -1.26 -2.44 105.19 102.61 1xm3 n GLY 186 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1xm3 n GLY 186 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xm3 s ILE 187 N -3.09 4.39 0.00 -0.61 -1.09 -1.26 0.25 121.20 119.79 1xm3 s ILE 187 Ca 0.00 1.61 0.00 0.00 -2.23 0.00 0.00 60.65 60.03 1xm3 s ILE 187 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1xm3 s ILE 187 CO 0.00 0.36 0.00 0.61 -1.23 0.00 0.00 174.94 174.68 1xm3 n GLY 188 N 1.15 0.00 3.64 6.18 0.00 -1.26 -4.42 105.19 110.48 1xm3 n GLY 188 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1xm3 n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xm3 s SER 189 N -3.20 0.04 0.39 1.61 1.04 -1.26 -4.92 113.70 107.40 1xm3 s SER 189 Ca 0.00 -0.99 0.15 0.00 0.48 0.00 0.00 55.95 55.59 1xm3 s SER 189 Cb 0.00 0.65 1.01 0.00 0.10 0.00 0.00 66.02 67.78 1xm3 s SER 189 CO 0.00 -1.25 1.83 -0.65 0.98 0.00 0.00 173.24 174.15 1xm3 h PRO 190 N 2.17 0.47 -0.76 4.02 0.11 -2.00 -1.14 132.00 134.87 1xm3 h PRO 190 Ca -0.26 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.88 1xm3 h PRO 190 Cb 1.25 -0.11 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 1xm3 h PRO 190 CO 0.35 0.31 0.50 1.57 -0.21 0.00 0.00 178.00 180.52 1xm3 h LYS 191 N 0.49 0.80 -0.19 1.05 2.10 -1.97 0.71 116.57 119.55 1xm3 h LYS 191 Ca 0.51 -0.05 -0.18 0.00 -2.00 0.00 0.00 60.65 58.93 1xm3 h LYS 191 Cb 1.16 -0.18 0.01 0.00 -0.90 0.00 0.00 32.23 32.31 1xm3 h LYS 191 CO -0.23 0.53 -0.58 -0.44 -2.00 0.00 0.00 179.45 176.72 1xm3 h ASP 192 N 0.82 0.85 -0.47 7.07 3.32 -1.62 -1.63 116.42 124.75 1xm3 h ASP 192 Ca 0.33 -0.59 -0.06 0.00 0.02 0.00 0.00 57.03 56.73 1xm3 h ASP 192 Cb 0.23 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1xm3 h ASP 192 CO -0.11 1.29 0.06 0.00 -1.72 0.00 0.00 179.24 178.75 1xm3 h ALA 193 N 0.58 0.63 -0.51 3.45 0.00 -1.29 -2.14 119.26 119.98 1xm3 h ALA 193 Ca -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1xm3 h ALA 193 Cb 1.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1xm3 h ALA 193 CO 0.12 0.38 0.22 0.00 0.00 0.00 0.00 179.25 179.97 1xm3 h ALA 194 N 0.95 0.67 -0.81 0.00 0.00 -0.87 -2.94 119.26 116.25 1xm3 h ALA 194 Ca 0.14 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xm3 h ALA 194 Cb 0.42 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1xm3 h ALA 194 CO 0.01 0.26 0.52 -0.92 0.00 0.00 0.00 179.25 179.13 1xm3 h TYR 195 N 0.69 0.98 0.00 0.00 3.20 -1.09 0.15 116.97 120.89 1xm3 h TYR 195 Ca 0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.07 1xm3 h TYR 195 Cb 0.17 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.12 1xm3 h TYR 195 CO 0.00 0.57 0.00 0.00 -1.64 0.00 0.00 178.16 177.09 1xm3 n ALA 196 N -2.33 0.86 0.00 1.82 0.00 -0.82 -1.23 120.51 118.80 1xm3 n ALA 196 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1xm3 n ALA 196 Cb 0.08 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1xm3 n ALA 196 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xm3 n GLU 198 N 0.37 0.00 0.00 0.00 1.02 0.51 -2.13 120.64 120.41 1xm3 n GLU 198 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 1xm3 n GLU 198 Cb 0.00 0.00 0.64 0.00 -0.02 0.00 0.00 31.44 32.06 1xm3 n GLU 198 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xm3 n LEU 199 N 0.00 0.07 0.00 -4.62 4.77 -0.37 -4.71 117.00 112.14 1xm3 n LEU 199 Ca 0.00 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1xm3 n LEU 199 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1xm3 n LEU 199 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 1xm3 n GLY 200 N 1.42 1.18 3.75 -0.72 0.00 -1.17 -4.90 105.19 104.76 1xm3 n GLY 200 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1xm3 n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 s ALA 201 N -2.00 2.47 -0.85 4.61 0.00 -0.91 -4.92 121.76 120.16 1xm3 s ALA 201 Ca 0.00 0.93 0.26 0.00 0.00 0.00 0.00 51.96 53.15 1xm3 s ALA 201 Cb 0.00 -3.44 0.62 0.00 0.00 0.00 0.00 23.12 20.31 1xm3 s ALA 201 CO 0.00 -1.27 1.52 -0.25 0.00 0.00 0.00 175.76 175.75 1xm3 n ASP 202 N -1.84 0.50 -3.83 0.00 9.92 0.26 -4.93 116.55 116.63 1xm3 n ASP 202 Ca 0.13 0.10 0.04 0.00 -0.53 0.00 0.00 54.79 54.54 1xm3 n ASP 202 Cb 0.50 -0.03 0.01 0.00 -0.64 0.00 0.00 41.12 40.96 1xm3 n ASP 202 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1xm3 s GLY 203 N -3.28 -0.31 -0.01 0.44 0.00 -1.18 -4.77 107.32 98.21 1xm3 s GLY 203 Ca 0.10 0.44 0.01 0.00 0.00 0.00 0.00 44.72 45.26 1xm3 s GLY 203 CO 0.66 4.29 -0.02 0.14 0.00 0.00 0.00 173.10 178.17 1xm3 s VAL 204 N -2.03 0.20 -0.21 1.40 1.01 -0.54 -1.73 120.40 118.50 1xm3 s VAL 204 Ca 0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1xm3 s VAL 204 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.20 1xm3 s VAL 204 CO -0.04 0.07 -0.03 -0.22 0.00 0.00 0.00 175.10 174.88 1xm3 s LEU 205 N 0.11 3.01 0.11 3.92 0.20 0.15 -0.30 118.68 125.89 1xm3 s LEU 205 Ca -0.01 -0.32 0.07 0.00 0.69 0.00 0.00 54.13 54.56 1xm3 s LEU 205 Cb -0.03 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1xm3 s LEU 205 CO -0.00 0.02 -0.18 -0.76 -0.29 0.00 0.00 176.35 175.14 1xm3 s LEU 206 N 1.24 2.35 0.00 -0.68 1.43 0.05 -1.53 118.68 121.54 1xm3 s LEU 206 Ca 0.03 -0.74 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1xm3 s LEU 206 Cb -0.14 -0.74 0.00 0.00 0.03 0.00 0.00 46.19 45.33 1xm3 s LEU 206 CO -0.01 -0.03 0.00 -0.46 0.23 0.00 0.00 176.35 176.09 1xm3 n ASN 207 N 0.83 0.00 -0.16 2.29 0.23 -1.26 0.19 115.26 117.38 1xm3 n ASN 207 Ca -0.18 0.00 0.20 0.00 -0.53 0.00 0.00 54.58 54.07 1xm3 n ASN 207 Cb 0.55 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.83 1xm3 n ASN 207 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1xm3 h THR 208 N 0.00 0.71 -0.75 5.53 1.35 -1.94 -0.55 112.91 117.26 1xm3 h THR 208 Ca 0.00 -0.09 0.13 0.00 -0.55 0.00 0.00 66.41 65.90 1xm3 h THR 208 Cb 0.00 0.43 -0.05 0.00 -1.73 0.00 0.00 68.15 66.80 1xm3 h THR 208 CO 0.00 0.05 0.49 0.00 -0.25 0.00 0.00 175.52 175.81 1xm3 h ALA 209 N 1.64 1.99 0.00 6.62 0.00 -1.91 0.45 119.26 128.04 1xm3 h ALA 209 Ca 0.39 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1xm3 h ALA 209 Cb 1.13 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xm3 h ALA 209 CO -0.09 -0.17 -0.76 0.28 0.00 0.00 0.00 179.25 178.51 1xm3 n VAL 210 N -4.49 1.45 0.29 0.00 0.31 -0.31 -3.86 118.33 111.72 1xm3 n VAL 210 Ca 0.14 0.15 0.14 0.00 -0.01 0.00 0.00 64.34 64.76 1xm3 n VAL 210 Cb 0.45 -2.32 0.86 0.00 -0.91 0.00 0.00 33.84 31.92 1xm3 n VAL 210 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1xm3 h SER 211 N -1.00 0.00 0.30 4.52 4.64 -1.29 -2.17 113.55 118.55 1xm3 h SER 211 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1xm3 h SER 211 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1xm3 h SER 211 CO -0.05 0.02 -0.35 0.61 -0.87 0.00 0.00 176.83 176.19 1xm3 n GLY 212 N -1.24 -0.78 3.77 -0.77 0.00 0.16 -4.61 105.19 101.72 1xm3 n GLY 212 Ca -0.03 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1xm3 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xm3 s ALA 213 N -2.66 2.14 0.33 4.61 0.00 -0.82 -4.93 121.76 120.43 1xm3 s ALA 213 Ca 0.20 0.10 0.06 0.00 0.00 0.00 0.00 51.96 52.32 1xm3 s ALA 213 Cb 0.19 -3.22 0.59 0.00 0.00 0.00 0.00 23.12 20.68 1xm3 s ALA 213 CO 0.58 -1.83 1.83 -0.44 0.00 0.00 0.00 175.76 175.90 1xm3 h ASP 214 N -1.17 0.37 -3.16 0.00 3.32 -1.92 -3.32 116.42 110.55 1xm3 h ASP 214 Ca -0.45 -0.10 -0.61 0.00 0.02 0.00 0.00 57.03 55.89 1xm3 h ASP 214 Cb 1.24 -0.10 -0.41 0.00 0.22 0.00 0.00 39.33 40.29 1xm3 h ASP 214 CO 0.54 0.56 -0.71 -0.62 -1.72 0.00 0.00 179.24 177.29 1xm3 s ASP 215 N -6.82 3.74 0.27 6.45 -1.08 -1.26 -5.00 116.67 112.97 1xm3 s ASP 215 Ca -0.06 -3.31 -0.00 0.00 -0.52 0.00 0.00 52.55 48.66 1xm3 s ASP 215 Cb 0.15 -1.22 0.53 0.00 -1.46 0.00 0.00 42.92 40.91 1xm3 s ASP 215 CO 0.76 -0.16 1.79 -0.65 0.52 0.00 0.00 175.17 177.43 1xm3 h PRO 216 N 5.87 0.73 -0.37 4.34 0.11 -1.73 -2.63 132.00 138.33 1xm3 h PRO 216 Ca 0.11 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1xm3 h PRO 216 Cb 0.84 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1xm3 h PRO 216 CO 0.58 0.49 0.15 0.28 -0.21 0.00 0.00 178.00 179.28 1xm3 h VAL 217 N 0.76 1.19 0.00 3.15 2.07 -1.88 0.73 116.25 122.27 1xm3 h VAL 217 Ca 0.47 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xm3 h VAL 217 Cb 0.58 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1xm3 h VAL 217 CO -0.32 0.21 0.00 1.17 0.02 0.00 0.00 177.57 178.65 1xm3 n LYS 218 N -4.67 0.23 0.00 1.57 4.81 -0.99 -2.07 118.16 117.03 1xm3 n LYS 218 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.43 1xm3 n LYS 218 Cb 0.14 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 33.89 1xm3 n LYS 218 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xm3 n ALA 220 N 0.73 0.00 -0.11 3.14 0.00 0.25 -0.89 120.51 123.62 1xm3 n ALA 220 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1xm3 n ALA 220 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.57 1xm3 n ALA 220 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xm3 h ARG 221 N 0.00 0.88 -0.51 0.00 2.43 -1.65 -2.09 114.38 113.44 1xm3 h ARG 221 Ca 0.00 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1xm3 h ARG 221 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1xm3 h ARG 221 CO 0.00 1.07 0.00 0.00 -1.51 0.00 0.00 179.97 179.53 1xm3 n ALA 222 N -2.53 1.21 0.00 2.80 0.00 -0.07 -1.89 120.51 120.04 1xm3 n ALA 222 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xm3 n ALA 222 Cb 0.50 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1xm3 n ALA 222 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xm3 n LYS 224 N 0.59 0.00 -0.26 0.00 4.81 -0.79 -1.13 118.16 121.37 1xm3 n LYS 224 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 1xm3 n LYS 224 Cb 0.02 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.12 1xm3 n LYS 224 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xm3 h LEU 225 N 0.00 1.05 -0.49 3.14 3.38 -1.66 -2.28 115.31 118.45 1xm3 h LEU 225 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1xm3 h LEU 225 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1xm3 h LEU 225 CO 0.00 0.97 0.25 0.00 0.09 0.00 0.00 178.44 179.74 1xm3 h ALA 226 N 1.12 0.63 -0.70 1.53 0.00 -1.39 0.10 119.26 120.55 1xm3 h ALA 226 Ca 0.24 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1xm3 h ALA 226 Cb 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1xm3 h ALA 226 CO -0.01 0.18 0.16 0.28 0.00 0.00 0.00 179.25 179.86 1xm3 h VAL 227 N 0.65 1.26 -0.38 0.00 2.07 -1.80 0.41 116.25 118.45 1xm3 h VAL 227 Ca 0.17 -0.98 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 1xm3 h VAL 227 Cb 0.10 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xm3 h VAL 227 CO -0.02 0.38 -0.05 -0.33 0.02 0.00 0.00 177.57 177.56 1xm3 h GLU 228 N 1.07 0.71 -0.28 1.57 5.08 -1.10 -2.07 114.58 119.56 1xm3 h GLU 228 Ca 0.22 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1xm3 h GLU 228 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1xm3 h GLU 228 CO 0.00 0.84 0.14 0.00 -1.00 0.00 0.00 179.01 178.99 1xm3 h ALA 229 N 0.85 0.37 -0.76 3.43 0.00 -0.53 -0.56 119.26 122.06 1xm3 h ALA 229 Ca 0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1xm3 h ALA 229 Cb 0.55 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1xm3 h ALA 229 CO 0.03 -0.08 0.34 0.78 0.00 0.00 0.00 179.25 180.32 1xm3 h GLY 230 N 0.33 1.19 0.98 0.00 0.00 -0.90 -0.79 103.07 103.87 1xm3 h GLY 230 Ca 0.10 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1xm3 h GLY 230 CO -0.01 0.57 -0.13 -0.09 0.00 0.00 0.00 176.54 176.88 1xm3 h ARG 231 N 1.09 0.75 -0.56 4.80 9.65 -1.15 -1.59 114.38 127.38 1xm3 h ARG 231 Ca 0.26 -0.31 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1xm3 h ARG 231 Cb 0.16 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1xm3 h ARG 231 CO -0.03 0.92 0.35 -0.07 2.80 0.00 0.00 179.97 183.94 1xm3 h LEU 232 N 0.55 0.66 -0.64 3.80 4.07 -0.85 -1.98 115.31 120.93 1xm3 h LEU 232 Ca 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1xm3 h LEU 232 Cb 0.66 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 1xm3 h LEU 232 CO 0.05 0.51 0.41 -1.28 -1.08 0.00 0.00 178.44 177.04 1xm3 h SER 233 N 0.76 0.75 -0.57 -0.43 0.87 -0.99 0.49 113.55 114.42 1xm3 h SER 233 Ca 0.20 -0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 1xm3 h SER 233 Cb -0.05 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 61.67 1xm3 h SER 233 CO -0.04 0.55 0.27 0.22 -0.53 0.00 0.00 176.83 177.31 1xm3 h TYR 234 N 0.87 0.50 -0.05 2.24 3.20 -0.80 -2.27 116.97 120.66 1xm3 h TYR 234 Ca 0.23 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.00 1xm3 h TYR 234 Cb -0.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1xm3 h TYR 234 CO -0.03 0.22 -0.57 0.93 -1.64 0.00 0.00 178.16 177.08 1xm3 h GLU 235 N 0.52 0.16 0.00 1.82 5.08 -0.90 -3.27 114.58 117.99 1xm3 h GLU 235 Ca 0.26 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1xm3 h GLU 235 Cb 0.20 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xm3 h GLU 235 CO -0.20 0.68 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 1xm3 n ALA 236 N -2.46 2.02 -2.13 3.43 0.00 0.12 -4.98 120.51 116.52 1xm3 n ALA 236 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1xm3 n ALA 236 Cb 0.58 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1xm3 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xm3 n GLY 237 N 0.78 -0.95 3.69 0.00 0.00 -1.09 -5.00 105.19 102.61 1xm3 n GLY 237 Ca 0.05 0.47 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 1xm3 n GLY 237 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xm3 s ARG 238 N -1.88 1.22 0.56 1.61 1.70 -1.26 -4.99 118.95 115.92 1xm3 s ARG 238 Ca 0.10 1.39 -0.18 0.00 -0.47 0.00 0.00 55.73 56.57 1xm3 s ARG 238 Cb -0.03 -1.76 -0.05 0.00 -0.57 0.00 0.00 34.95 32.54 1xm3 s ARG 238 CO 0.35 -2.44 1.10 0.96 -1.08 0.00 0.00 175.30 174.19 1xm3 s ILE 239 N -2.71 3.38 0.99 4.99 -4.36 -1.26 -5.04 121.20 117.18 1xm3 s ILE 239 Ca 0.65 0.79 -0.17 0.00 -0.26 0.00 0.00 60.65 61.67 1xm3 s ILE 239 Cb -0.21 -3.30 0.22 0.00 1.25 0.00 0.00 42.46 40.42 1xm3 s ILE 239 CO 0.58 -0.25 1.34 -2.16 0.24 0.00 0.00 174.94 174.69 1xm3 s PRO 240 N -3.51 0.42 -0.11 0.37 0.04 -1.26 -5.03 135.00 125.92 1xm3 s PRO 240 Ca 0.70 -0.48 -0.20 0.00 0.04 0.00 0.00 61.00 61.05 1xm3 s PRO 240 Cb -0.21 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1xm3 s PRO 240 CO 0.29 -2.55 0.58 -0.51 0.04 0.00 0.00 177.00 174.85 1xm3 s LEU 241 N -5.96 4.27 0.36 -3.56 1.02 -1.26 -5.03 118.68 108.53 1xm3 s LEU 241 Ca 0.76 0.95 -0.28 0.00 0.02 0.00 0.00 54.13 55.58 1xm3 s LEU 241 Cb -0.03 -2.86 -0.11 0.00 0.02 0.00 0.00 46.19 43.21 1xm3 s LEU 241 CO 0.54 -0.08 1.41 -0.75 0.02 0.00 0.00 176.35 177.49 1xm3 s LYS 242 N 0.85 4.20 -0.35 1.70 2.20 -1.26 -4.97 119.74 122.11 1xm3 s LYS 242 Ca 0.31 2.42 -0.12 0.00 -0.36 0.00 0.00 55.97 58.22 1xm3 s LYS 242 Cb -0.16 -3.00 -0.00 0.00 -1.51 0.00 0.00 37.83 33.16 1xm3 s LYS 242 CO 0.13 -0.40 0.22 -0.65 -0.36 0.00 0.00 175.35 174.29 1xm3 s GLN 243 N -1.99 3.24 0.07 4.03 -0.21 -1.26 -4.94 119.66 118.60 1xm3 s GLN 243 Ca 0.51 -0.81 0.22 0.00 0.02 0.00 0.00 55.36 55.31 1xm3 s GLN 243 Cb -0.44 -3.76 -0.19 0.00 1.00 0.00 0.00 33.01 29.62 1xm3 s GLN 243 CO 0.59 -0.54 0.71 0.66 -2.12 0.00 0.00 175.29 174.60 1xm3 n TYR 244 N 5.06 0.44 -3.10 0.91 4.02 -1.26 -5.01 117.16 118.23 1xm3 n TYR 244 Ca -0.13 0.13 -0.14 0.00 -0.01 0.00 0.00 57.90 57.76 1xm3 n TYR 244 Cb 0.48 -0.72 0.04 0.00 -0.02 0.00 0.00 39.34 39.12 1xm3 n TYR 244 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1xm3 n GLY 245 N 1.24 0.10 4.01 2.72 0.00 -1.26 -5.04 105.19 106.96 1xm3 n GLY 245 Ca -0.03 -0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 1xm3 n GLY 245 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xm3 s THR 246 N -3.17 2.80 0.55 2.61 -4.23 -1.26 -4.88 115.64 108.07 1xm3 s THR 246 Ca 0.33 -0.97 0.41 0.00 -1.18 0.00 0.00 61.69 60.27 1xm3 s THR 246 Cb -0.14 -2.83 0.42 0.00 1.34 0.00 0.00 72.50 71.28 1xm3 s THR 246 CO 0.40 0.00 2.28 0.00 -0.54 0.00 0.00 174.62 176.77 1xm3 h ALA 247 N 0.49 1.07 0.00 3.99 0.00 -2.03 -1.66 119.26 121.12 1xm3 h ALA 247 Ca -0.38 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xm3 h ALA 247 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xm3 h ALA 247 CO 0.45 0.01 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 1xm3 n SER 248 N -3.19 0.00 -3.52 0.00 3.41 -1.26 -3.92 113.62 105.14 1xm3 n SER 248 Ca -0.02 -0.02 -0.27 0.00 -0.26 0.00 0.00 58.87 58.30 1xm3 n SER 248 Cb 0.12 -0.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1xm3 n SER 248 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xm3 n SER 249 N -1.28 0.58 -4.57 4.04 7.64 -0.62 -5.10 113.62 114.31 1xm3 n SER 249 Ca 0.10 -2.64 -0.51 0.00 1.01 0.00 0.00 58.87 56.83 1xm3 n SER 249 Cb 0.16 -0.61 -0.06 0.00 -1.01 0.00 0.00 64.21 62.68 1xm3 n SER 249 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1xm3 n PRO 250 N 2.50 1.40 0.00 1.43 -0.02 -1.25 -0.64 135.00 138.42 1xm3 n PRO 250 Ca 0.27 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1xm3 n PRO 250 Cb 0.45 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 1xm3 n PRO 250 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xm3 n GLY 251 N 5.46 1.08 3.77 -1.23 0.00 -1.26 -5.17 105.19 107.83 1xm3 n GLY 251 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1xm3 n GLY 251 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50