#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xr2 s THR 1 N 0.00 2.23 -0.10 -2.13 2.01 -1.26 -4.93 115.64 111.46 1xr2 s THR 1 Ca 0.00 -1.52 -0.30 0.00 0.31 0.00 0.00 61.69 60.19 1xr2 s THR 1 Cb 0.00 -2.26 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 1xr2 s THR 1 CO 0.00 0.04 1.21 -0.75 -0.69 0.00 0.00 174.62 174.43 1xr2 s LYS 2 N 1.14 4.31 -0.12 4.92 2.20 -1.00 -4.93 119.74 126.25 1xr2 s LYS 2 Ca -0.07 1.65 -0.07 0.00 -0.36 0.00 0.00 55.97 57.12 1xr2 s LYS 2 Cb -0.19 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 1xr2 s LYS 2 CO -0.06 -0.54 0.13 0.00 -0.36 0.00 0.00 175.35 174.52 1xr2 s ALA 3 N 2.71 3.82 0.26 3.13 0.00 -1.26 -1.66 121.76 128.76 1xr2 s ALA 3 Ca 0.55 -0.66 0.08 0.00 0.00 0.00 0.00 51.96 51.93 1xr2 s ALA 3 Cb -0.23 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.89 1xr2 s ALA 3 CO 0.19 0.58 -0.11 0.71 0.00 0.00 0.00 175.76 177.13 1xr2 s TYR 4 N -0.92 1.96 -0.12 0.00 2.02 0.21 -1.96 117.35 118.54 1xr2 s TYR 4 Ca 0.14 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.95 1xr2 s TYR 4 Cb -0.12 -1.02 0.10 0.00 -0.40 0.00 0.00 41.96 40.52 1xr2 s TYR 4 CO 0.03 0.39 0.84 0.00 -1.57 0.00 0.00 175.55 175.25 1xr2 s ALA 5 N -2.90 -1.85 0.09 3.71 0.00 -1.26 -4.14 121.76 115.41 1xr2 s ALA 5 Ca 0.28 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.49 1xr2 s ALA 5 Cb 0.01 -0.46 0.08 0.00 0.00 0.00 0.00 23.12 22.75 1xr2 s ALA 5 CO 0.11 -0.33 0.67 -0.59 0.00 0.00 0.00 175.76 175.62 1xr2 s PHE 6 N -0.99 -0.52 -0.22 0.00 -0.71 -1.26 -4.62 117.98 109.66 1xr2 s PHE 6 Ca -0.06 0.45 0.00 0.00 -1.04 0.00 0.00 56.93 56.29 1xr2 s PHE 6 Cb -0.01 0.53 0.00 0.00 -1.21 0.00 0.00 43.02 42.33 1xr2 s PHE 6 CO 0.05 -0.75 0.00 0.41 -1.34 0.00 0.00 175.22 173.59 1xr2 n GLY 7 N -0.11 0.55 3.73 1.99 0.00 -1.26 -2.31 105.19 107.78 1xr2 n GLY 7 Ca -0.16 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1xr2 n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1xr2 n PHE 8 N -2.91 2.81 -1.54 1.61 -0.00 -1.26 0.16 117.46 116.34 1xr2 n PHE 8 Ca -0.02 0.17 -0.46 0.00 -0.00 0.00 0.00 57.45 57.14 1xr2 n PHE 8 Cb 0.08 -2.63 -0.02 0.00 -0.00 0.00 0.00 39.48 36.91 1xr2 n PHE 8 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1xr2 n PRO 9 N 2.89 0.95 0.00 -7.13 -0.02 -1.26 -4.79 135.00 125.64 1xr2 n PRO 9 Ca 0.12 0.33 0.09 0.00 -2.02 0.00 0.00 63.50 62.02 1xr2 n PRO 9 Cb 0.36 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 32.11 1xr2 n PRO 9 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1xr2 n LYS 10 N 0.93 0.57 0.26 -0.52 2.85 -1.26 -4.59 118.16 116.39 1xr2 n LYS 10 Ca 0.13 -0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1xr2 n LYS 10 Cb 0.29 -1.42 0.70 0.00 -0.65 0.00 0.00 35.03 33.95 1xr2 n LYS 10 CO 0.00 0.00 0.00 -0.84 -0.05 0.00 0.00 177.40 176.51 1xr2 h ILE 11 N 0.00 0.51 0.00 0.58 3.07 -1.98 -3.42 117.51 116.27 1xr2 h ILE 11 Ca 0.00 -0.62 0.00 0.00 1.55 0.00 0.00 64.86 65.79 1xr2 h ILE 11 Cb 0.46 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.43 1xr2 h ILE 11 CO 0.00 0.13 0.00 0.61 -1.05 0.00 0.00 178.15 177.84 1xr2 n GLY 12 N -0.51 -0.42 0.31 0.16 0.00 -1.26 -1.58 105.19 101.90 1xr2 n GLY 12 Ca -0.01 -1.51 0.19 0.00 0.00 0.00 0.00 46.02 44.68 1xr2 n GLY 12 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xr2 h GLU 13 N 0.00 0.00 0.00 1.61 5.08 -1.97 -1.57 114.58 117.72 1xr2 h GLU 13 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xr2 h GLU 13 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xr2 h GLU 13 CO 0.00 0.01 -0.19 1.63 -1.00 0.00 0.00 179.01 179.47 1xr2 n LYS 14 N -3.42 1.39 -3.73 2.33 5.02 -1.26 -4.96 118.16 113.53 1xr2 n LYS 14 Ca -0.03 -2.85 -0.27 0.00 -2.02 0.00 0.00 58.31 53.14 1xr2 n LYS 14 Cb 0.11 -1.54 0.05 0.00 -0.02 0.00 0.00 35.03 33.63 1xr2 n LYS 14 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xr2 n ARG 15 N -1.32 -6.63 0.06 1.97 1.74 -0.59 -4.86 116.66 107.03 1xr2 n ARG 15 Ca 0.17 0.71 0.11 0.00 -0.77 0.00 0.00 57.85 58.07 1xr2 n ARG 15 Cb 0.66 -5.68 0.57 0.00 -1.02 0.00 0.00 32.46 26.99 1xr2 n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1xr2 h GLU 16 N -2.34 0.22 -0.51 5.56 3.07 -1.56 -1.37 114.58 117.65 1xr2 h GLU 16 Ca -0.57 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.24 1xr2 h GLU 16 Cb 1.37 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 29.21 1xr2 h GLU 16 CO 0.62 0.14 0.17 0.35 -1.40 0.00 0.00 179.01 178.89 1xr2 h PHE 17 N 0.22 0.80 -0.21 4.33 3.04 -1.55 -0.86 116.94 122.72 1xr2 h PHE 17 Ca 0.16 -0.08 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1xr2 h PHE 17 Cb 0.34 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1xr2 h PHE 17 CO -0.00 0.69 0.08 -0.22 -2.02 0.00 0.00 178.31 176.84 1xr2 h LYS 18 N 0.69 0.32 -0.74 1.11 3.64 -1.49 -1.96 116.57 118.14 1xr2 h LYS 18 Ca 0.16 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1xr2 h LYS 18 Cb 0.26 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1xr2 h LYS 18 CO -0.01 0.39 0.39 0.87 -2.27 0.00 0.00 179.45 178.82 1xr2 h LYS 19 N 0.18 1.04 -0.34 1.90 1.57 -1.25 -2.22 116.57 117.45 1xr2 h LYS 19 Ca 0.07 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1xr2 h LYS 19 Cb 0.19 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1xr2 h LYS 19 CO -0.00 0.79 -0.21 0.00 -0.57 0.00 0.00 179.45 179.45 1xr2 h ALA 20 N 1.20 0.99 0.31 3.86 0.00 -1.08 -0.30 119.26 124.24 1xr2 h ALA 20 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1xr2 h ALA 20 Cb 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xr2 h ALA 20 CO -0.04 0.60 -0.15 1.25 0.00 0.00 0.00 179.25 180.91 1xr2 h LEU 21 N 0.58 -0.35 -0.89 0.00 5.85 -1.08 -1.66 115.31 117.76 1xr2 h LEU 21 Ca 0.09 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1xr2 h LEU 21 Cb 0.68 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1xr2 h LEU 21 CO 0.05 -0.04 -0.19 -0.33 -0.34 0.00 0.00 178.44 177.59 1xr2 h GLU 22 N -0.68 0.60 -0.58 1.25 5.08 -1.42 -0.86 114.58 117.97 1xr2 h GLU 22 Ca -0.04 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1xr2 h GLU 22 Cb 0.47 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1xr2 h GLU 22 CO 0.07 0.76 0.27 -0.44 -1.00 0.00 0.00 179.01 178.67 1xr2 h ASP 23 N 0.53 0.77 -0.33 1.42 3.32 -1.03 0.17 116.42 121.27 1xr2 h ASP 23 Ca 0.08 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 1xr2 h ASP 23 Cb 0.63 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xr2 h ASP 23 CO 0.04 0.70 0.04 0.15 -1.72 0.00 0.00 179.24 178.45 1xr2 h PHE 24 N 0.79 0.60 -0.54 4.55 3.57 -0.95 0.40 116.94 125.37 1xr2 h PHE 24 Ca 0.20 -0.09 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1xr2 h PHE 24 Cb 0.14 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 1xr2 h PHE 24 CO 0.00 0.65 0.23 -1.49 -2.23 0.00 0.00 178.31 175.47 1xr2 h TRP 25 N 0.38 0.77 0.00 0.41 6.55 -0.83 -0.84 115.95 122.39 1xr2 h TRP 25 Ca 0.10 -0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.91 1xr2 h TRP 25 Cb 0.38 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.44 1xr2 h TRP 25 CO 0.03 0.59 0.00 1.63 -1.05 0.00 0.00 178.44 179.64 1xr2 n LYS 26 N -4.35 0.05 -1.36 0.49 4.01 0.55 -4.90 118.16 112.66 1xr2 n LYS 26 Ca 0.04 0.09 -0.02 0.00 -0.51 0.00 0.00 58.31 57.91 1xr2 n LYS 26 Cb 0.15 -1.56 -0.01 0.00 -0.51 0.00 0.00 35.03 33.10 1xr2 n LYS 26 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xr2 n GLY 27 N 1.19 0.48 0.13 0.72 0.00 -0.32 -4.93 105.19 102.45 1xr2 n GLY 27 Ca 0.06 -0.92 0.02 0.00 0.00 0.00 0.00 46.02 45.18 1xr2 n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xr2 h LYS 28 N 0.00 0.00 -5.19 1.61 5.09 -0.48 -3.46 116.57 114.14 1xr2 h LYS 28 Ca -0.05 0.00 -0.36 0.00 0.09 0.00 0.00 60.65 60.32 1xr2 h LYS 28 Cb 0.42 0.00 -0.17 0.00 0.10 0.00 0.00 32.23 32.58 1xr2 h LYS 28 CO 0.07 0.53 -0.74 0.96 -2.09 0.00 0.00 179.45 178.18 1xr2 s ILE 29 N -2.94 1.17 0.82 0.07 -4.36 -1.20 -5.00 121.20 109.76 1xr2 s ILE 29 Ca 0.03 -1.78 -0.12 0.00 -0.26 0.00 0.00 60.65 58.53 1xr2 s ILE 29 Cb 0.08 -1.55 0.08 0.00 1.25 0.00 0.00 42.46 42.32 1xr2 s ILE 29 CO 0.76 -0.54 1.11 0.42 0.24 0.00 0.00 174.94 176.93 1xr2 s THR 30 N -2.52 2.75 0.34 8.37 -4.23 -1.26 -4.59 115.64 114.49 1xr2 s THR 30 Ca 0.10 0.24 0.15 0.00 -1.18 0.00 0.00 61.69 61.00 1xr2 s THR 30 Cb -0.02 -3.02 0.11 0.00 1.34 0.00 0.00 72.50 70.90 1xr2 s THR 30 CO 0.02 -0.32 1.82 -0.08 -0.54 0.00 0.00 174.62 175.52 1xr2 h GLU 31 N -1.17 0.00 -0.18 3.99 4.81 -1.98 -0.39 114.58 119.65 1xr2 h GLU 31 Ca -0.48 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.67 1xr2 h GLU 31 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1xr2 h GLU 31 CO 0.61 0.36 -0.22 1.49 -0.73 0.00 0.00 179.01 180.52 1xr2 h GLU 32 N 0.00 0.47 -0.46 1.92 4.81 -1.99 -1.02 114.58 118.31 1xr2 h GLU 32 Ca -0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 1xr2 h GLU 32 Cb 0.69 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1xr2 h GLU 32 CO 0.05 0.85 0.18 1.96 -0.73 0.00 0.00 179.01 181.32 1xr2 h GLN 33 N 0.12 0.66 -0.10 1.92 4.20 -1.84 0.67 115.11 120.74 1xr2 h GLN 33 Ca 0.02 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 1xr2 h GLN 33 Cb 0.78 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1xr2 h GLN 33 CO 0.05 0.55 0.04 0.35 -0.67 0.00 0.00 178.83 179.16 1xr2 h PHE 34 N 0.66 0.15 -0.46 2.96 3.57 -0.87 -0.47 116.94 122.47 1xr2 h PHE 34 Ca 0.16 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1xr2 h PHE 34 Cb 0.14 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1xr2 h PHE 34 CO 0.01 0.23 0.23 0.93 -2.23 0.00 0.00 178.31 177.48 1xr2 h GLU 35 N 0.02 0.44 -0.67 1.11 4.39 -0.37 0.27 114.58 119.76 1xr2 h GLU 35 Ca 0.03 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1xr2 h GLU 35 Cb 0.15 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1xr2 h GLU 35 CO -0.00 0.29 0.42 0.93 -1.16 0.00 0.00 179.01 179.49 1xr2 h GLU 36 N 0.45 0.80 -0.63 2.33 5.08 -0.66 0.14 114.58 122.09 1xr2 h GLU 36 Ca 0.20 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 1xr2 h GLU 36 Cb 0.12 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1xr2 h GLU 36 CO -0.15 0.53 0.25 1.49 -1.00 0.00 0.00 179.01 180.13 1xr2 h GLU 37 N 0.82 0.95 -0.63 2.33 4.57 -0.38 -2.06 114.58 120.18 1xr2 h GLU 37 Ca 0.27 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.24 1xr2 h GLU 37 Cb 0.02 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.42 1xr2 h GLU 37 CO -0.11 0.80 0.27 0.52 -1.18 0.00 0.00 179.01 179.32 1xr2 h MET 38 N 0.89 0.91 -0.06 1.92 2.86 -0.09 -2.53 114.93 118.83 1xr2 h MET 38 Ca 0.21 -0.13 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1xr2 h MET 38 Cb 0.21 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1xr2 h MET 38 CO -0.02 0.73 -0.42 -0.91 1.06 0.00 0.00 176.91 177.35 1xr2 h ASN 39 N 0.90 0.14 -0.24 1.22 2.35 -0.22 -1.59 115.58 118.13 1xr2 h ASN 39 Ca 0.22 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.81 1xr2 h ASN 39 Cb 0.14 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1xr2 h ASN 39 CO -0.02 0.55 -0.17 0.11 -1.65 0.00 0.00 177.43 176.24 1xr2 h LYS 40 N 0.11 0.67 -0.24 0.81 1.57 -0.97 -1.92 116.57 116.61 1xr2 h LYS 40 Ca 0.01 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 1xr2 h LYS 40 Cb 0.80 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1xr2 h LYS 40 CO 0.06 0.81 -0.38 -0.07 -0.57 0.00 0.00 179.45 179.30 1xr2 h LEU 41 N 0.60 0.56 -0.15 2.94 4.07 -1.18 -1.62 115.31 120.53 1xr2 h LEU 41 Ca 0.10 -0.24 -0.00 0.00 0.08 0.00 0.00 57.88 57.82 1xr2 h LEU 41 Cb 0.63 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1xr2 h LEU 41 CO 0.04 0.88 0.09 0.03 -1.08 0.00 0.00 178.44 178.41 1xr2 h ARG 42 N 0.44 0.21 -0.68 1.13 3.08 -0.83 -0.65 114.38 117.09 1xr2 h ARG 42 Ca 0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1xr2 h ARG 42 Cb 0.86 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.83 1xr2 h ARG 42 CO 0.07 0.20 0.37 0.52 -1.07 0.00 0.00 179.97 180.07 1xr2 h MET 43 N 0.16 0.95 -0.96 0.04 2.86 -1.22 -0.90 114.93 115.86 1xr2 h MET 43 Ca 0.06 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1xr2 h MET 43 Cb 0.05 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 1xr2 h MET 43 CO -0.01 0.71 0.64 -0.92 1.06 0.00 0.00 176.91 178.39 1xr2 h TYR 44 N 0.93 1.21 -0.13 -0.22 5.03 -0.96 0.20 116.97 123.03 1xr2 h TYR 44 Ca 0.24 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.54 1xr2 h TYR 44 Cb 0.04 -0.41 -0.00 0.00 1.55 0.00 0.00 36.73 37.91 1xr2 h TYR 44 CO -0.01 0.75 -0.06 0.52 -1.32 0.00 0.00 178.16 178.04 1xr2 h MET 45 N 1.29 0.27 -0.36 1.82 2.86 -0.70 -2.77 114.93 117.34 1xr2 h MET 45 Ca 0.36 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.84 1xr2 h MET 45 Cb -0.12 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1xr2 h MET 45 CO -0.09 0.60 0.03 0.28 1.06 0.00 0.00 176.91 178.79 1xr2 h VAL 46 N -0.07 1.19 -0.31 -2.22 2.07 -0.91 -2.15 116.25 113.85 1xr2 h VAL 46 Ca 0.03 -0.75 -0.13 0.00 0.82 0.00 0.00 66.70 66.67 1xr2 h VAL 46 Cb 0.52 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1xr2 h VAL 46 CO 0.02 0.26 -0.33 -0.33 0.02 0.00 0.00 177.57 177.21 1xr2 h GLU 47 N 0.54 0.67 -0.53 1.57 3.07 -0.95 -0.76 114.58 118.20 1xr2 h GLU 47 Ca 0.12 -0.31 -0.09 0.00 -0.50 0.00 0.00 59.36 58.58 1xr2 h GLU 47 Cb 0.30 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1xr2 h GLU 47 CO 0.01 0.91 -0.03 -0.91 -1.40 0.00 0.00 179.01 177.59 1xr2 h ASN 48 N 0.57 0.90 0.14 1.42 2.35 -1.14 -2.21 115.58 117.60 1xr2 h ASN 48 Ca 0.06 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.56 1xr2 h ASN 48 Cb 0.84 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1xr2 h ASN 48 CO 0.07 0.97 -0.07 1.88 -1.65 0.00 0.00 177.43 178.64 1xr2 h TYR 49 N 0.84 -0.17 -1.00 1.19 0.05 -1.21 -3.22 116.97 113.44 1xr2 h TYR 49 Ca 0.15 -0.00 0.19 0.00 0.05 0.00 0.00 58.73 59.11 1xr2 h TYR 49 Cb 0.54 0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.23 1xr2 h TYR 49 CO 0.03 0.21 0.61 0.00 -1.05 0.00 0.00 178.16 177.96 1xr2 h ARG 50 N -0.59 0.75 0.00 4.88 -0.00 -1.10 0.33 114.38 118.64 1xr2 h ARG 50 Ca -0.02 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1xr2 h ARG 50 Cb 0.46 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.26 1xr2 h ARG 50 CO 0.03 0.50 0.00 0.36 0.00 0.00 0.00 179.97 180.86 1xr2 n LYS 51 N -4.75 0.05 0.00 0.04 -0.00 -0.84 -4.19 118.16 108.47 1xr2 n LYS 51 Ca 0.23 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 1xr2 n LYS 51 Cb 0.56 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.09 1xr2 n LYS 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1xr2 n ASN 52 N -1.46 2.00 -4.43 -5.58 3.02 0.28 -5.03 115.26 104.06 1xr2 n ASN 52 Ca 0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.37 1xr2 n ASN 52 Cb 0.20 0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 39.47 1xr2 n ASN 52 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xr2 s VAL 53 N -1.38 1.16 -0.05 2.41 -7.23 0.91 -4.10 120.40 112.12 1xr2 s VAL 53 Ca 0.00 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.14 1xr2 s VAL 53 Cb 0.00 -2.70 -0.27 0.00 0.56 0.00 0.00 36.38 33.97 1xr2 s VAL 53 CO 0.00 0.00 0.66 0.44 -0.31 0.00 0.00 175.10 175.89 1xr2 h ASP 54 N 1.97 0.38 -3.78 4.85 3.32 -1.68 -3.41 116.42 118.07 1xr2 h ASP 54 Ca -0.40 -0.64 -0.66 0.00 0.02 0.00 0.00 57.03 55.35 1xr2 h ASP 54 Cb 1.25 -0.12 -0.19 0.00 0.22 0.00 0.00 39.33 40.49 1xr2 h ASP 54 CO 0.69 1.55 -0.52 -0.69 -1.72 0.00 0.00 179.24 178.55 1xr2 s VAL 55 N -2.59 5.11 -0.27 -1.35 1.01 -0.89 -5.01 120.40 116.41 1xr2 s VAL 55 Ca -0.13 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 1xr2 s VAL 55 Cb 0.07 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 1xr2 s VAL 55 CO 0.83 0.15 0.35 -0.63 0.00 0.00 0.00 175.10 175.80 1xr2 s ILE 56 N 1.71 5.19 0.50 2.22 1.09 -1.26 -4.34 121.20 126.32 1xr2 s ILE 56 Ca 0.06 0.52 -0.18 0.00 -1.10 0.00 0.00 60.65 59.96 1xr2 s ILE 56 Cb -0.16 -3.68 -0.08 0.00 -1.06 0.00 0.00 42.46 37.48 1xr2 s ILE 56 CO 0.09 0.17 0.99 -2.84 -0.10 0.00 0.00 174.94 173.26 1xr2 s PRO 57 N 2.00 3.93 0.24 2.79 0.02 -1.26 0.78 135.00 143.51 1xr2 s PRO 57 Ca 0.14 1.04 0.01 0.00 0.02 0.00 0.00 61.00 62.21 1xr2 s PRO 57 Cb -0.16 -2.13 -0.04 0.00 0.02 0.00 0.00 34.50 32.19 1xr2 s PRO 57 CO 0.10 -0.29 0.12 -1.54 -0.33 0.00 0.00 177.00 175.07 1xr2 s SER 58 N -2.79 0.84 -1.13 2.53 1.04 -0.84 -4.71 113.70 108.64 1xr2 s SER 58 Ca 0.60 -1.42 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1xr2 s SER 58 Cb -0.11 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1xr2 s SER 58 CO 0.27 -0.80 0.00 -3.20 0.98 0.00 0.00 173.24 170.49 1xr2 n ASN 59 N -0.48 -4.10 -0.01 7.02 5.15 -1.26 -0.38 115.26 121.20 1xr2 n ASN 59 Ca 0.01 0.04 0.11 0.00 -0.60 0.00 0.00 54.58 54.14 1xr2 n ASN 59 Cb 0.66 -3.20 -0.17 0.00 -0.53 0.00 0.00 39.78 36.54 1xr2 n ASN 59 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1xr2 n GLU 60 N -2.29 0.66 -2.75 1.20 1.02 -1.26 -4.65 120.64 112.57 1xr2 n GLU 60 Ca -0.15 -0.19 -0.44 0.00 -0.02 0.00 0.00 57.16 56.36 1xr2 n GLU 60 Cb 0.58 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 1xr2 n GLU 60 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1xr2 n LEU 61 N -2.28 5.36 -4.76 -4.62 0.00 -1.26 -4.96 117.00 104.48 1xr2 n LEU 61 Ca -0.05 -4.34 -0.39 0.00 0.00 0.00 0.00 56.01 51.23 1xr2 n LEU 61 Cb 0.58 -1.64 -0.05 0.00 0.00 0.00 0.00 43.42 42.32 1xr2 n LEU 61 CO 0.46 0.67 0.75 -0.55 0.00 0.00 0.00 177.39 178.71 1xr2 s SER 62 N 2.98 7.27 0.00 1.96 0.15 -1.26 -4.93 113.70 119.86 1xr2 s SER 62 Ca 0.45 2.15 0.26 0.00 0.70 0.00 0.00 55.95 59.52 1xr2 s SER 62 Cb 0.01 -2.61 1.39 0.00 -1.71 0.00 0.00 66.02 63.10 1xr2 s SER 62 CO 0.02 -0.13 1.91 -1.22 1.20 0.00 0.00 173.24 175.01 1xr2 n TYR 63 N 1.02 0.00 0.01 3.44 4.01 -1.26 -4.61 117.16 119.76 1xr2 n TYR 63 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1xr2 n TYR 63 Cb 0.46 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1xr2 n TYR 63 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1xr2 n TYR 64 N -1.22 -2.28 -3.64 -0.72 4.19 -1.26 -5.00 117.16 107.22 1xr2 n TYR 64 Ca 0.14 0.04 -0.07 0.00 3.31 0.00 0.00 57.90 61.32 1xr2 n TYR 64 Cb 0.18 0.54 -0.07 0.00 0.49 0.00 0.00 39.34 40.48 1xr2 n TYR 64 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1xr2 s ASP 65 N -2.00 -0.92 0.49 2.98 -1.08 -1.26 -4.01 116.67 110.87 1xr2 s ASP 65 Ca 0.00 1.49 0.26 0.00 -0.52 0.00 0.00 52.55 53.78 1xr2 s ASP 65 Cb 0.00 1.39 1.26 0.00 -1.46 0.00 0.00 42.92 44.10 1xr2 s ASP 65 CO 0.00 -0.24 1.98 2.19 0.52 0.00 0.00 175.17 179.62 1xr2 h PHE 66 N 6.83 0.00 -0.18 -5.34 -5.15 -1.95 -1.06 116.94 110.10 1xr2 h PHE 66 Ca -0.30 0.00 -0.20 0.00 -0.20 0.00 0.00 57.97 57.27 1xr2 h PHE 66 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 1xr2 h PHE 66 CO 0.07 0.16 -0.70 0.28 -2.00 0.00 0.00 178.31 176.13 1xr2 h VAL 67 N 0.00 1.29 -0.66 0.88 2.07 -1.96 -2.04 116.25 115.83 1xr2 h VAL 67 Ca -0.00 -1.92 -0.07 0.00 0.82 0.00 0.00 66.70 65.53 1xr2 h VAL 67 Cb 0.49 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 1xr2 h VAL 67 CO 0.02 0.61 0.15 0.25 0.02 0.00 0.00 177.57 178.62 1xr2 h LEU 68 N 0.53 1.00 -0.84 2.57 5.85 -1.65 -1.94 115.31 120.82 1xr2 h LEU 68 Ca -0.03 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.52 1xr2 h LEU 68 Cb 1.31 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1xr2 h LEU 68 CO 0.14 0.97 0.54 0.44 -0.34 0.00 0.00 178.44 180.19 1xr2 h ASP 69 N 1.00 0.88 -0.85 1.25 3.32 -0.97 -0.92 116.42 120.13 1xr2 h ASP 69 Ca 0.21 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1xr2 h ASP 69 Cb 0.37 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1xr2 h ASP 69 CO 0.00 0.60 0.43 0.74 -1.72 0.00 0.00 179.24 179.29 1xr2 h THR 70 N 1.03 1.26 -0.51 0.35 2.02 -0.82 -0.50 112.91 115.75 1xr2 h THR 70 Ca 0.34 -0.69 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 1xr2 h THR 70 Cb 0.04 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1xr2 h THR 70 CO -0.13 0.30 0.05 0.00 0.37 0.00 0.00 175.52 176.12 1xr2 h ALA 71 N 1.23 1.14 -0.11 6.16 0.00 -0.56 -2.36 119.26 124.77 1xr2 h ALA 71 Ca 0.29 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1xr2 h ALA 71 Cb 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1xr2 h ALA 71 CO -0.04 0.56 -0.09 0.28 0.00 0.00 0.00 179.25 179.96 1xr2 h VAL 72 N 0.77 1.35 -0.72 0.00 2.07 -0.66 0.63 116.25 119.68 1xr2 h VAL 72 Ca 0.16 -1.21 0.16 0.00 0.82 0.00 0.00 66.70 66.62 1xr2 h VAL 72 Cb 0.39 1.92 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 1xr2 h VAL 72 CO 0.01 0.35 0.14 -0.03 0.02 0.00 0.00 177.57 178.06 1xr2 h MET 73 N -0.15 0.23 -0.71 1.57 -1.53 -0.87 -0.82 114.93 112.65 1xr2 h MET 73 Ca 0.02 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1xr2 h MET 73 Cb 0.59 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.59 1xr2 h MET 73 CO 0.02 0.15 0.00 1.33 0.14 0.00 0.00 176.91 178.55 1xr2 n VAL 74 N -5.19 1.77 -1.04 -5.77 0.24 -0.91 -1.58 118.33 105.86 1xr2 n VAL 74 Ca 0.14 -0.92 -0.01 0.00 -2.04 0.00 0.00 64.34 61.50 1xr2 n VAL 74 Cb 0.45 -0.31 -0.01 0.00 -1.47 0.00 0.00 33.84 32.51 1xr2 n VAL 74 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xr2 n GLY 75 N 0.48 0.40 3.01 7.63 0.00 -0.31 -2.67 105.19 113.72 1xr2 n GLY 75 Ca 0.18 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1xr2 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr2 n ALA 76 N 1.03 4.43 -3.84 4.61 0.00 0.22 -4.85 120.51 122.10 1xr2 n ALA 76 Ca -0.01 -3.68 -0.34 0.00 0.00 0.00 0.00 53.44 49.41 1xr2 n ALA 76 Cb 0.24 -3.57 -0.14 0.00 0.00 0.00 0.00 19.45 15.98 1xr2 n ALA 76 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1xr2 s VAL 77 N 4.33 2.69 0.23 0.00 1.01 -1.26 -4.56 120.40 122.83 1xr2 s VAL 77 Ca 0.52 -1.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 1xr2 s VAL 77 Cb 0.12 -2.67 -0.15 0.00 0.00 0.00 0.00 36.38 33.68 1xr2 s VAL 77 CO 0.00 -0.25 1.08 -2.65 0.00 0.00 0.00 175.10 173.28 1xr2 n PRO 78 N 4.50 1.23 -0.31 2.72 -0.02 -1.26 -4.84 135.00 137.02 1xr2 n PRO 78 Ca -0.09 0.44 0.29 0.00 -2.02 0.00 0.00 63.50 62.12 1xr2 n PRO 78 Cb 0.42 -1.86 0.64 0.00 -0.02 0.00 0.00 33.50 32.68 1xr2 n PRO 78 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1xr2 h GLU 79 N 2.68 0.18 0.00 -0.52 9.09 -1.96 -1.27 114.58 122.79 1xr2 h GLU 79 Ca -0.41 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.99 1xr2 h GLU 79 Cb 1.34 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.40 1xr2 h GLU 79 CO 0.65 0.12 0.00 2.89 0.05 0.00 0.00 179.01 182.72 1xr2 n ARG 80 N -4.40 0.02 0.00 1.06 1.85 -1.26 -0.92 116.66 113.01 1xr2 n ARG 80 Ca 0.25 0.46 0.11 0.00 -1.00 0.00 0.00 57.85 57.67 1xr2 n ARG 80 Cb 1.06 -1.56 0.03 0.00 -1.05 0.00 0.00 32.46 30.95 1xr2 n ARG 80 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1xr2 n PHE 81 N -1.60 0.00 -4.49 2.89 3.01 -0.48 -5.06 117.46 111.73 1xr2 n PHE 81 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1xr2 n PHE 81 Cb 0.04 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.44 1xr2 n PHE 81 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1xr2 n GLY 82 N 1.48 0.76 3.72 1.37 0.00 -0.09 -4.72 105.19 107.70 1xr2 n GLY 82 Ca 0.06 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 1xr2 n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xr2 s GLU 83 N 0.00 4.37 -0.22 1.61 2.12 -1.26 -4.91 118.70 120.40 1xr2 s GLU 83 Ca 0.00 1.96 -0.29 0.00 0.36 0.00 0.00 54.97 57.00 1xr2 s GLU 83 Cb 0.00 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 1xr2 s GLU 83 CO 0.00 -0.36 1.55 -0.47 -0.54 0.00 0.00 175.26 175.44 1xr2 s TYR 84 N 1.02 2.22 -2.18 5.30 5.04 -1.26 -4.86 117.35 122.64 1xr2 s TYR 84 Ca 0.62 0.60 0.20 0.00 -2.44 0.00 0.00 57.07 56.05 1xr2 s TYR 84 Cb -0.34 -3.95 0.08 0.00 0.35 0.00 0.00 41.96 38.10 1xr2 s TYR 84 CO 0.30 -2.73 1.06 0.54 -1.34 0.00 0.00 175.55 173.39 1xr2 n ARG 85 N 7.54 1.66 0.00 4.97 5.12 -1.26 -5.05 116.66 129.64 1xr2 n ARG 85 Ca 0.18 -1.33 0.00 0.00 -1.93 0.00 0.00 57.85 54.76 1xr2 n ARG 85 Cb 0.45 -1.39 0.00 0.00 -1.16 0.00 0.00 32.46 30.37 1xr2 n ARG 85 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xr2 n GLY 86 N 1.22 0.25 0.36 -0.13 0.00 -1.26 -4.68 105.19 100.95 1xr2 n GLY 86 Ca 0.10 -1.85 0.16 0.00 0.00 0.00 0.00 46.02 44.42 1xr2 n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xr2 h LEU 87 N 0.00 0.68 -0.01 0.99 3.38 -1.98 0.24 115.31 118.61 1xr2 h LEU 87 Ca 0.00 0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1xr2 h LEU 87 Cb 0.00 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1xr2 h LEU 87 CO 0.00 0.21 -0.14 0.77 0.09 0.00 0.00 178.44 179.37 1xr2 h SER 88 N 0.65 -0.42 -0.45 -0.43 4.64 -2.00 0.30 113.55 115.84 1xr2 h SER 88 Ca 0.58 0.06 -0.05 0.00 -0.47 0.00 0.00 61.79 61.91 1xr2 h SER 88 Cb 1.06 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 1xr2 h SER 88 CO -0.36 -0.20 0.07 0.74 -0.87 0.00 0.00 176.83 176.21 1xr2 h THR 89 N -0.23 1.25 0.03 2.95 2.02 -1.48 -2.73 112.91 114.71 1xr2 h THR 89 Ca 0.05 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.35 1xr2 h THR 89 Cb 0.30 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.64 1xr2 h THR 89 CO -0.15 0.31 -0.42 0.22 0.37 0.00 0.00 175.52 175.85 1xr2 h TYR 90 N 0.60 -1.24 -0.01 3.16 5.03 -0.12 -1.09 116.97 123.30 1xr2 h TYR 90 Ca 0.14 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1xr2 h TYR 90 Cb 0.38 0.54 -0.00 0.00 1.55 0.00 0.00 36.73 39.20 1xr2 h TYR 90 CO 0.03 -0.46 0.02 0.74 -1.32 0.00 0.00 178.16 177.16 1xr2 h PHE 91 N -0.55 0.00 -0.09 -3.82 0.05 -0.97 -0.47 116.94 111.09 1xr2 h PHE 91 Ca 0.00 0.00 -0.16 0.00 3.82 0.00 0.00 57.97 61.63 1xr2 h PHE 91 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.52 1xr2 h PHE 91 CO -0.47 0.00 -0.65 -0.44 -0.18 0.00 0.00 178.31 176.57 1xr2 h ASP 92 N 0.00 0.40 0.25 2.17 3.32 -0.92 0.18 116.42 121.82 1xr2 h ASP 92 Ca 0.01 -0.24 -0.15 0.00 0.02 0.00 0.00 57.03 56.66 1xr2 h ASP 92 Cb 0.04 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1xr2 h ASP 92 CO -0.00 0.94 -0.60 0.24 -1.72 0.00 0.00 179.24 178.10 1xr2 h MET 93 N 0.25 0.36 0.13 3.56 2.86 0.03 -3.23 114.93 118.89 1xr2 h MET 93 Ca -0.01 -0.24 -0.28 0.00 -2.06 0.00 0.00 59.70 57.11 1xr2 h MET 93 Cb 1.19 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.89 1xr2 h MET 93 CO 0.11 0.85 -1.26 0.00 1.06 0.00 0.00 176.91 177.67 1xr2 h ALA 94 N 1.09 0.10 -2.62 6.32 0.00 -1.14 0.25 119.26 123.26 1xr2 h ALA 94 Ca -0.01 -0.89 -0.12 0.00 0.00 0.00 0.00 54.91 53.89 1xr2 h ALA 94 Cb 1.12 0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 1xr2 h ALA 94 CO 0.10 0.98 -0.37 -0.98 0.00 0.00 0.00 179.25 178.98 1xr2 s ARG 95 N -2.65 1.14 0.00 0.00 1.70 0.61 -4.77 118.95 114.98 1xr2 s ARG 95 Ca -0.04 -1.24 0.00 0.00 -0.47 0.00 0.00 55.73 53.98 1xr2 s ARG 95 Cb 0.07 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1xr2 s ARG 95 CO 0.88 -0.41 0.00 0.41 -1.08 0.00 0.00 175.30 175.10 1xr2 n GLY 96 N -0.21 -1.17 0.04 3.88 0.00 -1.26 -4.26 105.19 102.21 1xr2 n GLY 96 Ca -0.06 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 43.97 1xr2 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xr2 n GLY 97 N 0.00 -1.56 0.23 -0.02 0.00 -1.26 -3.62 105.19 98.96 1xr2 n GLY 97 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1xr2 n GLY 97 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xr2 n LYS 98 N -1.77 2.81 -1.39 1.61 2.85 -1.26 -5.07 118.16 115.94 1xr2 n LYS 98 Ca 0.06 -1.66 -0.35 0.00 -1.05 0.00 0.00 58.31 55.31 1xr2 n LYS 98 Cb 0.37 -1.10 0.10 0.00 -0.65 0.00 0.00 35.03 33.75 1xr2 n LYS 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xr2 n ALA 99 N -0.12 0.52 -0.98 0.58 0.00 -1.22 -4.83 120.51 114.47 1xr2 n ALA 99 Ca 0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.01 1xr2 n ALA 99 Cb 0.30 -2.28 0.17 0.00 0.00 0.00 0.00 19.45 17.64 1xr2 n ALA 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xr2 s LEU 100 N -5.03 1.92 0.44 0.00 1.43 0.88 -4.98 118.68 113.34 1xr2 s LEU 100 Ca 0.78 1.55 -0.23 0.00 -1.03 0.00 0.00 54.13 55.20 1xr2 s LEU 100 Cb -0.33 -3.82 -0.08 0.00 0.03 0.00 0.00 46.19 41.99 1xr2 s LEU 100 CO 0.46 -3.14 1.11 -0.70 0.23 0.00 0.00 176.35 174.31 1xr2 s GLU 101 N -4.79 3.91 -0.09 1.70 2.12 -1.26 -4.83 118.70 115.47 1xr2 s GLU 101 Ca 0.65 1.63 0.01 0.00 0.36 0.00 0.00 54.97 57.63 1xr2 s GLU 101 Cb -0.20 -2.42 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 1xr2 s GLU 101 CO 0.59 -0.39 -0.12 1.41 -0.54 0.00 0.00 175.26 176.21 1xr2 s MET 102 N -2.68 2.93 0.21 4.30 -2.45 -1.26 -0.14 119.30 120.21 1xr2 s MET 102 Ca 0.62 -0.65 -0.14 0.00 -1.25 0.00 0.00 55.69 54.27 1xr2 s MET 102 Cb -0.25 -2.54 0.01 0.00 1.25 0.00 0.00 34.83 33.30 1xr2 s MET 102 CO 0.30 0.47 0.46 -0.08 1.05 0.00 0.00 175.02 177.22 1xr2 s THR 103 N -0.31 0.03 0.30 10.11 -1.32 -0.74 -4.98 115.64 118.72 1xr2 s THR 103 Ca 0.03 -1.15 -0.29 0.00 -1.21 0.00 0.00 61.69 59.07 1xr2 s THR 103 Cb -0.13 -1.88 -0.10 0.00 -1.51 0.00 0.00 72.50 68.89 1xr2 s THR 103 CO 0.03 -0.12 1.32 -0.54 -2.21 0.00 0.00 174.62 173.10 1xr2 s LYS 104 N -3.95 4.36 -0.56 7.08 1.02 -1.26 -0.93 119.74 125.50 1xr2 s LYS 104 Ca 0.16 2.18 -0.26 0.00 0.02 0.00 0.00 55.97 58.07 1xr2 s LYS 104 Cb -0.00 -3.10 0.04 0.00 -0.52 0.00 0.00 37.83 34.24 1xr2 s LYS 104 CO 0.02 -0.21 1.06 0.12 -0.92 0.00 0.00 175.35 175.42 1xr2 s PHE 105 N -0.79 2.71 0.00 3.18 5.36 0.50 -4.77 117.98 124.17 1xr2 s PHE 105 Ca 0.51 0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.67 1xr2 s PHE 105 Cb -0.39 -4.28 0.00 0.00 -0.34 0.00 0.00 43.02 38.01 1xr2 s PHE 105 CO 0.49 -1.46 0.00 1.19 -1.46 0.00 0.00 175.22 173.98 1xr2 n PHE 106 N 7.91 0.00 -1.08 10.12 3.01 -1.26 -1.60 117.46 134.56 1xr2 n PHE 106 Ca 0.05 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.28 1xr2 n PHE 106 Cb 0.48 0.01 0.16 0.00 -0.01 0.00 0.00 39.48 40.12 1xr2 n PHE 106 CO 0.00 0.00 0.00 0.27 1.01 0.00 0.00 176.76 178.04 1xr2 n ASN 107 N 1.66 3.98 -4.09 4.37 2.04 -1.26 -4.99 115.26 116.98 1xr2 n ASN 107 Ca 0.00 -3.51 -0.16 0.00 -0.44 0.00 0.00 54.58 50.48 1xr2 n ASN 107 Cb 0.00 -0.83 0.03 0.00 -2.53 0.00 0.00 39.78 36.45 1xr2 n ASN 107 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 1xr2 n THR 108 N -1.01 0.00 0.37 5.53 -2.24 -0.63 -4.93 114.28 111.38 1xr2 n THR 108 Ca 0.56 -1.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.01 1xr2 n THR 108 Cb 1.52 -0.48 0.22 0.00 -2.10 0.00 0.00 70.33 69.49 1xr2 n THR 108 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xr2 h ASN 109 N 0.21 0.00 -3.71 3.42 -1.07 -1.94 -3.42 115.58 109.07 1xr2 h ASN 109 Ca -0.21 -0.03 -0.50 0.00 0.07 0.00 0.00 56.30 55.63 1xr2 h ASN 109 Cb 0.91 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.13 1xr2 h ASN 109 CO 0.32 0.01 0.21 -0.47 0.07 0.00 0.00 177.43 177.57 1xr2 s TYR 110 N -3.19 3.67 -0.08 4.14 5.04 -1.26 -4.73 117.35 120.94 1xr2 s TYR 110 Ca 0.07 1.57 0.05 0.00 -2.44 0.00 0.00 57.07 56.31 1xr2 s TYR 110 Cb 0.09 -2.75 -0.01 0.00 0.35 0.00 0.00 41.96 39.64 1xr2 s TYR 110 CO 0.67 0.28 -0.24 -1.01 -1.34 0.00 0.00 175.55 173.92 1xr2 s HIS 111 N -1.56 2.51 0.44 4.97 3.76 -0.59 -0.37 115.29 124.46 1xr2 s HIS 111 Ca 0.46 -0.83 0.07 0.00 -0.15 0.00 0.00 55.06 54.61 1xr2 s HIS 111 Cb -0.18 -1.66 -0.02 0.00 1.11 0.00 0.00 32.58 31.84 1xr2 s HIS 111 CO 0.22 -0.29 0.31 1.52 -0.85 0.00 0.00 174.74 175.66 1xr2 s TYR 112 N 0.05 2.48 -0.23 1.40 1.13 -0.11 -4.72 117.35 117.36 1xr2 s TYR 112 Ca -0.10 -0.59 -0.11 0.00 -1.41 0.00 0.00 57.07 54.86 1xr2 s TYR 112 Cb -0.15 -2.05 -0.05 0.00 -1.10 0.00 0.00 41.96 38.60 1xr2 s TYR 112 CO 0.06 -0.08 0.18 -0.51 -2.51 0.00 0.00 175.55 172.69 1xr2 s LEU 113 N -4.08 4.14 -0.34 -3.49 1.43 -1.26 -1.80 118.68 113.28 1xr2 s LEU 113 Ca 0.43 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.42 1xr2 s LEU 113 Cb -0.01 -2.15 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1xr2 s LEU 113 CO 0.25 0.07 1.24 -0.69 0.23 0.00 0.00 176.35 177.45 1xr2 s VAL 114 N 0.95 4.20 0.46 -1.59 1.01 0.80 -4.35 120.40 121.88 1xr2 s VAL 114 Ca 0.09 1.33 -0.24 0.00 0.00 0.00 0.00 61.98 63.16 1xr2 s VAL 114 Cb -0.13 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 31.89 1xr2 s VAL 114 CO 0.04 -0.59 1.28 -2.84 0.00 0.00 0.00 175.10 172.99 1xr2 s PRO 115 N 4.19 3.68 -0.30 2.72 0.02 -1.26 -4.22 135.00 139.83 1xr2 s PRO 115 Ca 0.53 2.08 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 1xr2 s PRO 115 Cb -0.14 -2.52 0.05 0.00 0.02 0.00 0.00 34.50 31.91 1xr2 s PRO 115 CO 0.24 -0.70 0.00 -1.21 -0.33 0.00 0.00 177.00 175.00 1xr2 s GLU 116 N -2.55 2.39 -0.72 5.54 2.02 -1.26 -2.18 118.70 121.94 1xr2 s GLU 116 Ca 0.63 -1.30 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 1xr2 s GLU 116 Cb -0.36 -3.18 0.06 0.00 0.10 0.00 0.00 34.13 30.75 1xr2 s GLU 116 CO 0.45 -0.64 1.09 0.42 0.02 0.00 0.00 175.26 176.59 1xr2 s ILE 117 N 1.24 4.17 -0.20 -1.63 -1.09 -0.70 -4.58 121.20 118.40 1xr2 s ILE 117 Ca -0.05 -0.27 0.21 0.00 -2.23 0.00 0.00 60.65 58.32 1xr2 s ILE 117 Cb -0.20 -4.77 -0.04 0.00 -1.58 0.00 0.00 42.46 35.87 1xr2 s ILE 117 CO -0.01 -1.59 0.98 -0.62 -1.23 0.00 0.00 174.94 172.46 1xr2 n GLU 118 N 8.13 0.61 -4.18 2.79 1.02 -1.26 -4.59 120.64 123.16 1xr2 n GLU 118 Ca 0.02 0.15 -0.17 0.00 -0.02 0.00 0.00 57.16 57.14 1xr2 n GLU 118 Cb 0.47 -1.82 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 1xr2 n GLU 118 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xr2 s THR 119 N -3.24 0.87 -2.07 2.62 -4.23 -1.26 -5.03 115.64 103.30 1xr2 s THR 119 Ca -0.01 -1.08 0.16 0.00 -1.18 0.00 0.00 61.69 59.58 1xr2 s THR 119 Cb 0.09 -0.85 0.42 0.00 1.34 0.00 0.00 72.50 73.50 1xr2 s THR 119 CO 0.80 -0.20 1.54 -1.84 -0.54 0.00 0.00 174.62 174.38 1xr2 n GLU 120 N 1.60 1.25 -3.88 3.99 0.00 -1.26 -4.70 120.64 117.64 1xr2 n GLU 120 Ca -0.20 -0.38 -0.35 0.00 0.00 0.00 0.00 57.16 56.23 1xr2 n GLU 120 Cb 0.55 -1.28 -0.13 0.00 0.00 0.00 0.00 31.44 30.58 1xr2 n GLU 120 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 1xr2 s GLU 121 N -1.91 2.17 0.28 3.44 1.03 -1.26 -4.83 118.70 117.62 1xr2 s GLU 121 Ca 0.25 -1.52 -0.09 0.00 0.03 0.00 0.00 54.97 53.64 1xr2 s GLU 121 Cb 0.12 -3.31 -0.07 0.00 -0.80 0.00 0.00 34.13 30.08 1xr2 s GLU 121 CO 0.20 -0.80 0.60 -0.06 -1.33 0.00 0.00 175.26 173.86 1xr2 s PHE 122 N 1.17 3.44 0.04 4.83 0.40 -1.26 -5.00 117.98 121.60 1xr2 s PHE 122 Ca 0.01 0.87 -0.08 0.00 -0.60 0.00 0.00 56.93 57.13 1xr2 s PHE 122 Cb -0.21 -2.27 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 1xr2 s PHE 122 CO -0.03 0.18 0.17 1.52 0.70 0.00 0.00 175.22 177.76 1xr2 s TYR 123 N -1.97 0.10 -0.98 0.36 -0.85 -1.09 -4.86 117.35 108.04 1xr2 s TYR 123 Ca 0.48 -0.35 -0.24 0.00 -0.52 0.00 0.00 57.07 56.44 1xr2 s TYR 123 Cb -0.11 -0.06 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 1xr2 s TYR 123 CO 0.24 -0.42 1.76 -1.17 -1.52 0.00 0.00 175.55 174.45 1xr2 s LEU 124 N -2.14 3.31 -0.03 -3.49 2.96 -1.26 -2.63 118.68 115.39 1xr2 s LEU 124 Ca -0.04 -1.10 -0.26 0.00 -0.22 0.00 0.00 54.13 52.51 1xr2 s LEU 124 Cb -0.01 -2.57 -0.20 0.00 0.50 0.00 0.00 46.19 43.92 1xr2 s LEU 124 CO -0.04 -2.27 1.19 0.25 -1.32 0.00 0.00 176.35 174.16 1xr2 h LEU 125 N 15.85 -0.04 -7.29 -0.68 5.85 -1.48 -3.45 115.31 124.06 1xr2 h LEU 125 Ca 0.16 -0.48 -0.19 0.00 0.84 0.00 0.00 57.88 58.20 1xr2 h LEU 125 Cb 1.00 0.01 -0.30 0.00 0.37 0.00 0.00 40.66 41.73 1xr2 h LEU 125 CO 1.30 0.48 -0.48 -0.70 -0.34 0.00 0.00 178.44 178.69 1xr2 s GLU 126 N -4.07 0.21 -1.20 1.25 2.12 -1.23 -5.03 118.70 110.75 1xr2 s GLU 126 Ca -0.16 0.62 -0.09 0.00 0.36 0.00 0.00 54.97 55.71 1xr2 s GLU 126 Cb 0.01 -0.08 0.22 0.00 0.26 0.00 0.00 34.13 34.54 1xr2 s GLU 126 CO 0.65 -0.20 1.60 -1.71 -0.54 0.00 0.00 175.26 175.06 1xr2 n ASN 127 N 4.57 5.53 0.18 -1.70 2.85 -1.26 -4.19 115.26 121.23 1xr2 n ASN 127 Ca -0.20 -3.16 0.06 0.00 -0.11 0.00 0.00 54.58 51.17 1xr2 n ASN 127 Cb 0.52 -1.43 0.54 0.00 1.24 0.00 0.00 39.78 40.66 1xr2 n ASN 127 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1xr2 h LYS 128 N 6.02 0.15 -0.81 1.20 3.64 -1.96 -1.88 116.57 122.93 1xr2 h LYS 128 Ca 0.30 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1xr2 h LYS 128 Cb 0.70 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1xr2 h LYS 128 CO 1.41 0.15 0.43 -1.35 -2.27 0.00 0.00 179.45 177.82 1xr2 h PRO 129 N 0.15 1.14 -0.35 1.90 0.11 -1.97 -1.15 132.00 131.83 1xr2 h PRO 129 Ca 0.04 -0.14 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 1xr2 h PRO 129 Cb 0.08 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 1xr2 h PRO 129 CO -0.00 0.85 -0.31 1.25 -0.21 0.00 0.00 178.00 179.59 1xr2 h LEU 130 N 1.13 0.79 0.32 2.35 5.85 -1.72 -0.89 115.31 123.15 1xr2 h LEU 130 Ca 0.28 -0.32 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1xr2 h LEU 130 Cb 0.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1xr2 h LEU 130 CO -0.04 1.04 -0.16 -0.33 -0.34 0.00 0.00 178.44 178.61 1xr2 h GLU 131 N 0.65 -0.42 -0.54 1.25 5.08 -0.97 -1.29 114.58 118.34 1xr2 h GLU 131 Ca 0.07 0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1xr2 h GLU 131 Cb 0.84 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1xr2 h GLU 131 CO 0.07 -0.26 0.05 0.22 -1.00 0.00 0.00 179.01 178.09 1xr2 h ASP 132 N -0.46 0.85 -0.26 1.42 3.58 -1.20 -0.69 116.42 119.66 1xr2 h ASP 132 Ca -0.04 -0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.24 1xr2 h ASP 132 Cb 0.35 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 1xr2 h ASP 132 CO 0.07 0.89 0.08 0.22 -2.88 0.00 0.00 179.24 177.62 1xr2 h TYR 133 N 0.84 0.13 -0.22 0.28 3.20 -0.97 -2.39 116.97 117.84 1xr2 h TYR 133 Ca 0.17 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.94 1xr2 h TYR 133 Cb 0.43 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1xr2 h TYR 133 CO 0.03 0.06 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.20 1xr2 h LEU 134 N 0.19 0.49 -0.37 2.82 3.38 -0.93 -1.96 115.31 118.92 1xr2 h LEU 134 Ca 0.12 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xr2 h LEU 134 Cb 0.10 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1xr2 h LEU 134 CO -0.13 0.79 0.18 0.15 0.09 0.00 0.00 178.44 179.52 1xr2 h PHE 135 N 0.40 0.34 -0.11 1.13 3.04 -0.67 0.21 116.94 121.28 1xr2 h PHE 135 Ca 0.05 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.86 1xr2 h PHE 135 Cb 0.78 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.18 1xr2 h PHE 135 CO 0.03 0.18 -0.59 0.74 -2.02 0.00 0.00 178.31 176.64 1xr2 h PHE 136 N 0.37 0.48 -0.97 0.41 -1.00 -1.36 -3.00 116.94 111.86 1xr2 h PHE 136 Ca 0.16 -0.18 0.01 0.00 2.81 0.00 0.00 57.97 60.77 1xr2 h PHE 136 Cb 0.07 -0.09 -0.05 0.00 3.61 0.00 0.00 35.95 39.50 1xr2 h PHE 136 CO -0.10 0.87 0.64 0.87 -1.61 0.00 0.00 178.31 178.98 1xr2 h LYS 137 N 0.28 1.29 -0.33 1.51 1.79 -0.83 0.30 116.57 120.58 1xr2 h LYS 137 Ca -0.00 -0.08 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1xr2 h LYS 137 Cb 1.12 -0.29 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1xr2 h LYS 137 CO 0.10 0.86 0.13 0.77 -1.08 0.00 0.00 179.45 180.22 1xr2 h SER 138 N 1.32 0.41 -0.31 0.86 0.02 -0.83 0.27 113.55 115.30 1xr2 h SER 138 Ca 0.36 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1xr2 h SER 138 Cb -0.15 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1xr2 h SER 138 CO -0.08 0.38 0.00 0.29 -1.14 0.00 0.00 176.83 176.29 1xr2 n LYS 139 N -4.40 1.72 -1.78 3.45 4.01 -0.64 -4.89 118.16 115.62 1xr2 n LYS 139 Ca 0.02 -1.10 -0.06 0.00 -0.51 0.00 0.00 58.31 56.65 1xr2 n LYS 139 Cb 0.14 -1.24 -0.01 0.00 -0.51 0.00 0.00 35.03 33.40 1xr2 n LYS 139 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xr2 n GLY 140 N 0.98 0.37 3.14 0.72 0.00 0.95 -5.04 105.19 106.32 1xr2 n GLY 140 Ca 0.10 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1xr2 n GLY 140 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr2 s ILE 141 N -2.27 2.15 0.09 -0.61 1.01 0.97 -4.96 121.20 117.58 1xr2 s ILE 141 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.45 1xr2 s ILE 141 Cb 0.00 -1.90 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 1xr2 s ILE 141 CO 0.00 0.53 0.92 -1.61 0.00 0.00 0.00 174.94 174.78 1xr2 s GLU 142 N 1.22 4.65 0.06 2.79 0.41 -1.26 -2.67 118.70 123.89 1xr2 s GLU 142 Ca 0.03 1.37 -0.00 0.00 -0.41 0.00 0.00 54.97 55.96 1xr2 s GLU 142 Cb -0.14 -3.38 -0.04 0.00 -1.78 0.00 0.00 34.13 28.80 1xr2 s GLU 142 CO -0.10 0.21 -0.04 0.95 -0.49 0.00 0.00 175.26 175.78 1xr2 s THR 143 N 0.06 0.33 -0.40 3.63 -4.23 -1.26 -4.57 115.64 109.20 1xr2 s THR 143 Ca 0.45 -1.71 -0.09 0.00 -1.18 0.00 0.00 61.69 59.16 1xr2 s THR 143 Cb -0.23 -1.39 0.06 0.00 1.34 0.00 0.00 72.50 72.29 1xr2 s THR 143 CO 0.28 -0.89 0.22 0.00 -0.54 0.00 0.00 174.62 173.69 1xr2 s ALA 144 N -3.49 3.24 0.20 3.99 0.00 0.23 -4.75 121.76 121.19 1xr2 s ALA 144 Ca 0.05 -2.02 -0.32 0.00 0.00 0.00 0.00 51.96 49.66 1xr2 s ALA 144 Cb 0.05 -2.57 -0.15 0.00 0.00 0.00 0.00 23.12 20.45 1xr2 s ALA 144 CO -0.07 -1.56 1.29 -2.30 0.00 0.00 0.00 175.76 173.11 1xr2 n PRO 145 N 4.91 1.58 -3.56 0.00 -0.02 -1.25 -1.98 135.00 134.68 1xr2 n PRO 145 Ca -0.11 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 1xr2 n PRO 145 Cb 0.44 -2.14 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 1xr2 n PRO 145 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1xr2 s TRP 146 N -0.09 3.22 0.08 6.00 -0.00 0.49 -0.12 118.94 128.52 1xr2 s TRP 146 Ca 0.71 -0.54 0.05 0.00 -0.00 0.00 0.00 56.10 56.32 1xr2 s TRP 146 Cb -0.76 -2.46 -0.03 0.00 -0.00 0.00 0.00 33.47 30.22 1xr2 s TRP 146 CO 0.51 -0.49 -0.13 0.14 -0.00 0.00 0.00 176.95 176.97 1xr2 s VAL 147 N 1.65 1.08 -0.12 5.86 -7.23 -0.10 -4.73 120.40 116.81 1xr2 s VAL 147 Ca 0.05 -1.40 -0.29 0.00 -1.81 0.00 0.00 61.98 58.53 1xr2 s VAL 147 Cb -0.18 -1.14 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 1xr2 s VAL 147 CO 0.09 -0.31 0.97 -0.63 -0.31 0.00 0.00 175.10 174.90 1xr2 s ILE 148 N -1.58 4.80 0.91 -0.62 -1.09 -1.26 -0.80 121.20 121.57 1xr2 s ILE 148 Ca 0.00 1.96 -0.11 0.00 -2.23 0.00 0.00 60.65 60.27 1xr2 s ILE 148 Cb -0.08 -4.28 0.11 0.00 -1.58 0.00 0.00 42.46 36.63 1xr2 s ILE 148 CO 0.02 0.01 0.94 0.61 -1.23 0.00 0.00 174.94 175.29 1xr2 n GLY 149 N 3.16 -0.81 0.35 6.18 0.00 0.20 -4.77 105.19 109.49 1xr2 n GLY 149 Ca 0.08 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 1xr2 n GLY 149 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xr2 h PRO 150 N -1.66 1.18 -0.04 1.61 0.13 -1.95 -1.46 132.00 129.81 1xr2 h PRO 150 Ca -0.44 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.51 1xr2 h PRO 150 Cb 1.28 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xr2 h PRO 150 CO 0.40 0.91 0.00 0.35 -0.23 0.00 0.00 178.00 179.43 1xr2 h PHE 151 N 1.16 0.08 -0.46 1.56 3.04 -1.94 -2.92 116.94 117.47 1xr2 h PHE 151 Ca 0.28 -0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.17 1xr2 h PHE 151 Cb 0.13 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1xr2 h PHE 151 CO 0.02 0.35 0.08 1.15 -2.02 0.00 0.00 178.31 177.88 1xr2 h THR 152 N -0.21 1.21 -0.00 4.41 2.02 -1.84 -2.09 112.91 116.41 1xr2 h THR 152 Ca 0.01 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1xr2 h THR 152 Cb 0.32 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1xr2 h THR 152 CO 0.00 0.29 -0.14 0.15 0.37 0.00 0.00 175.52 176.19 1xr2 h PHE 153 N 0.69 -0.37 -0.65 3.16 3.57 -1.16 -0.85 116.94 121.33 1xr2 h PHE 153 Ca 0.15 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 1xr2 h PHE 153 Cb 0.31 0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1xr2 h PHE 153 CO 0.02 -0.21 0.10 -0.07 -2.23 0.00 0.00 178.31 175.91 1xr2 h LEU 154 N -0.24 1.03 -1.98 0.59 4.07 -1.44 -2.61 115.31 114.73 1xr2 h LEU 154 Ca 0.05 -0.25 -0.02 0.00 0.08 0.00 0.00 57.88 57.75 1xr2 h LEU 154 Cb 0.30 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.77 1xr2 h LEU 154 CO -0.14 1.03 -0.08 0.22 -1.08 0.00 0.00 178.44 178.38 1xr2 h TYR 155 N 1.00 0.00 -0.21 1.13 5.03 -0.94 -1.30 116.97 121.69 1xr2 h TYR 155 Ca 0.20 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.51 1xr2 h TYR 155 Cb 0.44 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1xr2 h TYR 155 CO 0.03 0.08 0.00 1.28 -1.32 0.00 0.00 178.16 178.23 1xr2 n LEU 156 N -4.14 2.58 -4.82 2.82 4.77 -0.36 -4.66 117.00 113.19 1xr2 n LEU 156 Ca -0.03 -1.04 -0.25 0.00 -0.03 0.00 0.00 56.01 54.67 1xr2 n LEU 156 Cb 0.16 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1xr2 n LEU 156 CO 0.32 0.52 -0.07 -0.44 -1.33 0.00 0.00 177.39 176.39 1xr2 s SER 157 N -1.66 4.60 0.04 -1.43 0.01 -0.49 -4.39 113.70 110.38 1xr2 s SER 157 Ca 0.35 -1.09 -0.02 0.00 1.31 0.00 0.00 55.95 56.50 1xr2 s SER 157 Cb 0.20 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1xr2 s SER 157 CO 0.30 -0.75 0.01 -1.59 0.41 0.00 0.00 173.24 171.61 1xr2 s LYS 158 N -4.06 0.52 -0.06 12.44 -2.85 -0.93 -2.23 119.74 122.58 1xr2 s LYS 158 Ca 0.38 -0.92 0.01 0.00 -1.00 0.00 0.00 55.97 54.45 1xr2 s LYS 158 Cb 0.00 0.19 0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1xr2 s LYS 158 CO 0.22 -0.11 -0.08 1.03 0.10 0.00 0.00 175.35 176.52 1xr2 s ARG 159 N -2.89 1.24 -1.68 1.78 3.00 0.09 -1.72 118.95 118.78 1xr2 s ARG 159 Ca -0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 55.73 55.43 1xr2 s ARG 159 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 34.95 33.83 1xr2 s ARG 159 CO -0.06 -0.04 0.31 0.09 0.00 0.00 0.00 175.30 175.60 1xr2 n ASN 160 N 4.00 -6.04 0.00 0.23 3.02 -1.26 -1.90 115.26 113.31 1xr2 n ASN 160 Ca -0.23 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1xr2 n ASN 160 Cb 0.51 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.73 1xr2 n ASN 160 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr2 n GLY 161 N -1.28 0.90 3.50 7.41 0.00 -1.26 -5.03 105.19 109.42 1xr2 n GLY 161 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1xr2 n GLY 161 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1xr2 s GLU 162 N -0.01 1.81 0.50 1.61 1.03 -0.80 -5.06 118.70 117.78 1xr2 s GLU 162 Ca 0.00 -1.17 -0.23 0.00 0.03 0.00 0.00 54.97 53.60 1xr2 s GLU 162 Cb 0.00 -2.13 -0.06 0.00 -0.80 0.00 0.00 34.13 31.14 1xr2 s GLU 162 CO 0.00 0.48 1.29 -1.58 -1.33 0.00 0.00 175.26 174.12 1xr2 s TRP 163 N -1.16 2.54 -1.07 4.83 0.52 -1.26 -0.73 118.94 122.60 1xr2 s TRP 163 Ca 0.18 1.42 -0.03 0.00 0.02 0.00 0.00 56.10 57.70 1xr2 s TRP 163 Cb -0.11 -3.66 0.30 0.00 -1.15 0.00 0.00 33.47 28.86 1xr2 s TRP 163 CO 0.10 -2.37 1.69 -0.89 0.02 0.00 0.00 176.95 175.51 1xr2 n ILE 164 N -0.70 5.67 0.26 2.03 5.41 -0.95 -4.67 119.36 126.42 1xr2 n ILE 164 Ca 0.08 -5.86 0.05 0.00 1.00 0.00 0.00 62.75 58.02 1xr2 n ILE 164 Cb 0.46 -1.84 -0.06 0.00 -0.71 0.00 0.00 39.64 37.48 1xr2 n ILE 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1xr2 n ARG 165 N 0.78 2.38 -2.99 0.38 1.74 -1.26 -4.03 116.66 113.65 1xr2 n ARG 165 Ca 0.37 -0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 57.02 1xr2 n ARG 165 Cb 0.30 -1.07 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 1xr2 n ARG 165 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xr2 s ARG 166 N -2.23 4.51 0.28 5.56 0.52 -1.26 -4.95 118.95 121.38 1xr2 s ARG 166 Ca 0.01 1.08 -0.02 0.00 -0.52 0.00 0.00 55.73 56.28 1xr2 s ARG 166 Cb 0.07 -3.33 0.61 0.00 0.52 0.00 0.00 34.95 32.81 1xr2 s ARG 166 CO 0.40 0.37 1.61 -1.35 0.02 0.00 0.00 175.30 176.35 1xr2 h PRO 167 N 5.29 0.08 0.00 3.54 0.11 -1.94 0.58 132.00 139.67 1xr2 h PRO 167 Ca -0.45 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1xr2 h PRO 167 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xr2 h PRO 167 CO 0.69 0.05 -0.15 -2.95 -0.21 0.00 0.00 178.00 175.43 1xr2 h ASN 168 N 0.08 0.00 0.39 -2.05 -1.07 -1.98 -0.13 115.58 110.82 1xr2 h ASN 168 Ca 0.51 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.69 1xr2 h ASN 168 Cb 0.99 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.23 1xr2 h ASN 168 CO -0.78 0.15 -0.80 1.56 0.07 0.00 0.00 177.43 177.63 1xr2 h GLN 169 N 0.00 0.32 0.06 4.14 4.20 -0.24 -3.35 115.11 120.23 1xr2 h GLN 169 Ca -0.00 -0.30 -0.31 0.00 0.06 0.00 0.00 58.65 58.10 1xr2 h GLN 169 Cb 0.30 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1xr2 h GLN 169 CO 0.02 0.97 -1.73 0.52 -0.67 0.00 0.00 178.83 177.94 1xr2 h MET 170 N 0.20 0.12 -0.59 1.46 2.86 -0.76 -3.42 114.93 114.81 1xr2 h MET 170 Ca -0.04 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1xr2 h MET 170 Cb 1.40 0.08 -0.07 0.00 0.06 0.00 0.00 31.60 33.06 1xr2 h MET 170 CO 0.13 0.83 -0.35 -1.91 1.06 0.00 0.00 176.91 176.68 1xr2 n GLU 171 N -3.26 -0.26 0.04 1.72 2.13 -0.11 -0.59 120.64 120.31 1xr2 n GLU 171 Ca -0.20 1.22 -0.11 0.00 0.66 0.00 0.00 57.16 58.73 1xr2 n GLU 171 Cb 1.04 -1.81 -0.05 0.00 0.27 0.00 0.00 31.44 30.89 1xr2 n GLU 171 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1xr2 h LYS 172 N 0.00 -0.12 -0.55 5.31 1.57 -1.81 -2.98 116.57 117.99 1xr2 h LYS 172 Ca 0.09 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1xr2 h LYS 172 Cb 0.24 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1xr2 h LYS 172 CO -0.55 -0.08 0.27 -0.07 -0.57 0.00 0.00 179.45 178.45 1xr2 h LEU 173 N -0.13 0.38 -0.91 2.94 3.38 -1.64 -2.87 115.31 116.46 1xr2 h LEU 173 Ca 0.04 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.19 1xr2 h LEU 173 Cb 0.18 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 1xr2 h LEU 173 CO -0.09 0.25 0.52 -0.07 0.09 0.00 0.00 178.44 179.14 1xr2 h LEU 174 N 0.52 0.68 -0.69 1.67 3.38 -0.69 0.23 115.31 120.42 1xr2 h LEU 174 Ca 0.25 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.33 1xr2 h LEU 174 Cb 0.17 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1xr2 h LEU 174 CO -0.18 0.31 0.42 -0.33 0.09 0.00 0.00 178.44 178.75 1xr2 h GLU 175 N 0.75 0.79 -0.11 1.13 5.08 -1.47 0.32 114.58 121.07 1xr2 h GLU 175 Ca 0.48 -0.05 -0.23 0.00 -1.00 0.00 0.00 59.36 58.56 1xr2 h GLU 175 Cb 0.63 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xr2 h GLU 175 CO -0.33 0.52 -0.85 1.03 -1.00 0.00 0.00 179.01 178.39 1xr2 h SER 176 N 0.82 0.93 -0.39 1.42 0.87 -1.33 -3.18 113.55 112.69 1xr2 h SER 176 Ca 0.28 -0.65 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1xr2 h SER 176 Cb 0.05 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1xr2 h SER 176 CO -0.12 1.45 0.13 0.25 -0.53 0.00 0.00 176.83 178.01 1xr2 h LEU 177 N 0.50 0.57 -1.74 2.23 5.85 -0.08 -2.85 115.31 119.80 1xr2 h LEU 177 Ca -0.07 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1xr2 h LEU 177 Cb 1.48 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1xr2 h LEU 177 CO 0.17 0.61 0.12 0.58 -0.34 0.00 0.00 178.44 179.58 1xr2 h VAL 178 N 0.49 1.07 -0.48 1.05 2.07 -0.45 -2.44 116.25 117.56 1xr2 h VAL 178 Ca 0.13 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1xr2 h VAL 178 Cb 0.24 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1xr2 h VAL 178 CO -0.01 0.08 0.26 -1.28 0.02 0.00 0.00 177.57 176.64 1xr2 h SER 179 N 0.30 0.39 -0.42 0.57 0.87 -1.48 0.27 113.55 114.05 1xr2 h SER 179 Ca 0.08 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1xr2 h SER 179 Cb 0.01 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 1xr2 h SER 179 CO -0.01 0.27 0.12 0.58 -0.53 0.00 0.00 176.83 177.26 1xr2 h VAL 180 N 0.51 1.22 -0.74 2.23 2.07 -1.47 -1.57 116.25 118.51 1xr2 h VAL 180 Ca 0.20 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1xr2 h VAL 180 Cb 0.08 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1xr2 h VAL 180 CO -0.13 0.27 0.48 1.88 0.02 0.00 0.00 177.57 180.09 1xr2 h TYR 181 N 0.54 0.76 -0.33 1.57 0.05 -1.25 -0.22 116.97 118.10 1xr2 h TYR 181 Ca 0.14 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.92 1xr2 h TYR 181 Cb 0.28 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1xr2 h TYR 181 CO 0.01 0.39 0.15 0.87 -1.05 0.00 0.00 178.16 178.54 1xr2 h LYS 182 N 0.75 0.49 -0.54 4.88 1.79 -0.17 -0.37 116.57 123.38 1xr2 h LYS 182 Ca 0.32 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.67 1xr2 h LYS 182 Cb 0.30 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.84 1xr2 h LYS 182 CO -0.11 0.46 0.15 1.05 -1.08 0.00 0.00 179.45 179.93 1xr2 h GLU 183 N 0.40 0.86 -0.49 3.15 -0.00 -0.34 -0.79 114.58 117.37 1xr2 h GLU 183 Ca 0.11 -0.19 -0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1xr2 h GLU 183 Cb 0.15 -0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 28.75 1xr2 h GLU 183 CO -0.01 0.79 0.27 0.28 -0.00 0.00 0.00 179.01 180.34 1xr2 h VAL 184 N 0.76 1.17 -0.25 -1.06 2.07 -0.81 -1.83 116.25 116.30 1xr2 h VAL 184 Ca 0.17 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.14 1xr2 h VAL 184 Cb 0.31 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1xr2 h VAL 184 CO -0.00 0.18 -0.38 -0.26 0.02 0.00 0.00 177.57 177.13 1xr2 h PHE 185 N 0.64 0.66 -0.64 1.57 0.05 -0.96 -2.70 116.94 115.57 1xr2 h PHE 185 Ca 0.17 -0.18 -0.04 0.00 3.82 0.00 0.00 57.97 61.74 1xr2 h PHE 185 Cb 0.05 -0.14 -0.03 0.00 2.00 0.00 0.00 35.95 37.83 1xr2 h PHE 185 CO -0.02 0.86 0.24 0.93 -0.18 0.00 0.00 178.31 180.14 1xr2 h GLU 186 N 0.47 0.96 0.00 1.51 5.08 -0.89 -2.24 114.58 119.47 1xr2 h GLU 186 Ca 0.04 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1xr2 h GLU 186 Cb 0.87 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 1xr2 h GLU 186 CO 0.07 0.82 -0.38 0.87 -1.00 0.00 0.00 179.01 179.40 1xr2 h LYS 187 N 0.90 0.00 -0.09 2.33 6.56 -1.23 -2.40 116.57 122.64 1xr2 h LYS 187 Ca 0.21 0.00 -0.12 0.00 -1.06 0.00 0.00 60.65 59.68 1xr2 h LYS 187 Cb 0.23 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.90 1xr2 h LYS 187 CO -0.01 0.38 -0.42 -0.07 -2.06 0.00 0.00 179.45 177.26 1xr2 h LEU 188 N 0.00 0.52 -0.96 2.94 3.38 -1.18 -3.05 115.31 116.96 1xr2 h LEU 188 Ca -0.00 -0.65 -0.07 0.00 0.09 0.00 0.00 57.88 57.24 1xr2 h LEU 188 Cb 0.68 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1xr2 h LEU 188 CO 0.05 1.08 -0.05 0.58 0.09 0.00 0.00 178.44 180.19 1xr2 h VAL 189 N -0.01 1.24 0.00 1.22 2.07 -1.35 0.58 116.25 120.00 1xr2 h VAL 189 Ca -0.03 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1xr2 h VAL 189 Cb 1.07 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1xr2 h VAL 189 CO 0.09 0.35 -0.19 -0.33 0.02 0.00 0.00 177.57 177.51 1xr2 h GLU 190 N 0.65 0.00 -0.56 1.57 5.08 -1.47 -1.33 114.58 118.53 1xr2 h GLU 190 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xr2 h GLU 190 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1xr2 h GLU 190 CO 0.02 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 1xr2 n ASN 191 N -4.00 2.99 0.00 1.42 3.02 -0.81 -4.93 115.26 112.95 1xr2 n ASN 191 Ca -0.02 -2.00 0.00 0.00 -0.03 0.00 0.00 54.58 52.53 1xr2 n ASN 191 Cb 0.27 -0.37 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1xr2 n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr2 n GLY 192 N 1.39 0.77 3.70 7.41 0.00 -0.50 -5.06 105.19 112.90 1xr2 n GLY 192 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xr2 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr2 n LYS 194 N 4.89 0.65 -3.79 0.00 5.02 -1.26 -4.42 118.16 119.25 1xr2 n LYS 194 Ca 0.15 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.38 1xr2 n LYS 194 Cb 0.39 -1.66 -0.11 0.00 -0.02 0.00 0.00 35.03 33.64 1xr2 n LYS 194 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1xr2 s GLU 195 N -2.87 0.35 -0.10 1.97 2.12 -1.26 -4.73 118.70 114.17 1xr2 s GLU 195 Ca -0.06 0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.56 1xr2 s GLU 195 Cb 0.09 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.65 1xr2 s GLU 195 CO 0.84 -0.05 -0.17 0.42 -0.54 0.00 0.00 175.26 175.75 1xr2 s ILE 196 N -0.07 1.62 -0.50 -3.70 1.01 -0.31 -3.75 121.20 115.50 1xr2 s ILE 196 Ca -0.02 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.71 1xr2 s ILE 196 Cb -0.02 -1.45 0.06 0.00 0.01 0.00 0.00 42.46 41.06 1xr2 s ILE 196 CO 0.01 0.46 0.58 -0.76 0.00 0.00 0.00 174.94 175.23 1xr2 s LEU 197 N 0.75 5.12 -0.23 2.97 1.43 0.83 -1.02 118.68 128.54 1xr2 s LEU 197 Ca -0.11 -1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 51.85 1xr2 s LEU 197 Cb -0.16 -2.39 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1xr2 s LEU 197 CO 0.02 -0.85 0.22 -0.69 0.23 0.00 0.00 176.35 175.28 1xr2 s VAL 198 N 2.42 5.32 -0.30 -1.59 1.01 -0.18 -0.92 120.40 126.15 1xr2 s VAL 198 Ca 0.13 0.32 -0.12 0.00 0.00 0.00 0.00 61.98 62.31 1xr2 s VAL 198 Cb -0.20 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1xr2 s VAL 198 CO 0.11 0.33 0.22 0.20 0.00 0.00 0.00 175.10 175.96 1xr2 s ASN 199 N 1.01 6.05 -0.52 3.32 0.01 0.02 -0.25 114.94 124.58 1xr2 s ASN 199 Ca 0.11 -0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.18 1xr2 s ASN 199 Cb -0.14 -2.13 0.33 0.00 0.41 0.00 0.00 41.25 39.72 1xr2 s ASN 199 CO 0.05 -0.13 0.86 -0.62 -1.51 0.00 0.00 177.10 175.74 1xr2 n GLU 200 N 5.10 2.45 0.27 -0.60 -0.58 0.32 -0.63 120.64 126.97 1xr2 n GLU 200 Ca -0.13 -4.37 0.11 0.00 -0.42 0.00 0.00 57.16 52.36 1xr2 n GLU 200 Cb 0.51 -2.05 0.74 0.00 -0.57 0.00 0.00 31.44 30.07 1xr2 n GLU 200 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1xr2 h PRO 201 N 3.12 0.00 0.00 3.49 0.13 -1.87 -2.03 132.00 134.83 1xr2 h PRO 201 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1xr2 h PRO 201 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1xr2 h PRO 201 CO 0.72 0.08 0.01 0.00 -0.23 0.00 0.00 178.00 178.58 1xr2 n ALA 202 N -2.37 1.03 0.31 -0.56 0.00 -1.26 -0.70 120.51 116.96 1xr2 n ALA 202 Ca -0.02 0.20 0.12 0.00 0.00 0.00 0.00 53.44 53.73 1xr2 n ALA 202 Cb 0.17 -1.30 0.53 0.00 0.00 0.00 0.00 19.45 18.85 1xr2 n ALA 202 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xr2 n PHE 203 N -2.25 0.78 1.34 0.00 3.01 -0.76 -1.82 117.46 117.77 1xr2 n PHE 203 Ca -0.01 0.34 0.13 0.00 1.01 0.00 0.00 57.45 58.92 1xr2 n PHE 203 Cb 0.04 -1.05 0.39 0.00 -0.01 0.00 0.00 39.48 38.85 1xr2 n PHE 203 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1xr2 n VAL 204 N -2.25 0.00 -1.91 -4.37 0.24 0.13 -1.80 118.33 108.37 1xr2 n VAL 204 Ca 0.01 -0.31 -0.31 0.00 -2.04 0.00 0.00 64.34 61.69 1xr2 n VAL 204 Cb 0.16 0.78 0.02 0.00 -1.47 0.00 0.00 33.84 33.33 1xr2 n VAL 204 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xr2 s ASP 206 N -4.24 4.95 0.61 0.00 -0.00 -1.26 -4.51 116.67 112.22 1xr2 s ASP 206 Ca 0.56 -1.28 -0.06 0.00 -0.00 0.00 0.00 52.55 51.77 1xr2 s ASP 206 Cb -0.11 -2.58 0.02 0.00 -0.00 0.00 0.00 42.92 40.25 1xr2 s ASP 206 CO 0.53 -3.09 0.92 -0.76 -0.00 0.00 0.00 175.17 172.77 1xr2 s LEU 207 N 11.15 3.14 0.30 1.23 1.43 -1.26 -5.06 118.68 129.61 1xr2 s LEU 207 Ca 0.70 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.45 1xr2 s LEU 207 Cb -0.03 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.72 1xr2 s LEU 207 CO 0.09 -1.18 0.48 -1.61 0.23 0.00 0.00 176.35 174.36 1xr2 s GLU 208 N -5.04 3.49 0.33 1.70 2.02 -1.26 -4.97 118.70 114.96 1xr2 s GLU 208 Ca 0.55 -0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.16 1xr2 s GLU 208 Cb -0.11 -2.74 0.64 0.00 0.10 0.00 0.00 34.13 32.02 1xr2 s GLU 208 CO 0.45 0.26 1.92 -0.22 0.02 0.00 0.00 175.26 177.69 1xr2 h LYS 209 N 1.08 0.87 -0.31 1.61 1.63 -2.00 0.27 116.57 119.72 1xr2 h LYS 209 Ca -0.50 -0.05 0.06 0.00 -0.85 0.00 0.00 60.65 59.30 1xr2 h LYS 209 Cb 1.22 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 32.63 1xr2 h LYS 209 CO 0.62 0.57 0.21 0.00 -3.45 0.00 0.00 179.45 177.41 1xr2 h ALA 210 N 1.55 2.07 -0.32 5.00 0.00 -2.00 -0.77 119.26 124.79 1xr2 h ALA 210 Ca 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1xr2 h ALA 210 Cb 0.28 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1xr2 h ALA 210 CO -0.14 -0.14 -0.00 0.45 0.00 0.00 0.00 179.25 179.42 1xr2 h HIS 211 N 0.17 0.62 0.00 0.00 3.86 -1.32 -2.94 115.15 115.54 1xr2 h HIS 211 Ca 0.14 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1xr2 h HIS 211 Cb 0.33 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 1xr2 h HIS 211 CO -0.00 0.69 -0.16 -1.49 0.86 0.00 0.00 177.93 177.83 1xr2 h TRP 212 N 0.36 0.00 -0.20 2.45 4.06 -1.03 0.11 115.95 121.70 1xr2 h TRP 212 Ca 0.09 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.94 1xr2 h TRP 212 Cb 0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.59 1xr2 h TRP 212 CO 0.04 0.16 -0.32 -0.44 -3.56 0.00 0.00 178.44 174.32 1xr2 h ASP 213 N 0.00 0.41 -0.13 -3.49 3.32 -1.26 -1.33 116.42 113.94 1xr2 h ASP 213 Ca -0.00 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.84 1xr2 h ASP 213 Cb 0.28 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.72 1xr2 h ASP 213 CO 0.02 0.71 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.05 1xr2 h LEU 214 N 0.35 0.34 -1.63 1.55 4.07 -1.01 -2.94 115.31 116.04 1xr2 h LEU 214 Ca 0.05 -0.49 0.06 0.00 0.08 0.00 0.00 57.88 57.57 1xr2 h LEU 214 Cb 0.73 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.35 1xr2 h LEU 214 CO 0.06 0.76 0.34 0.40 -1.08 0.00 0.00 178.44 178.91 1xr2 h ILE 215 N -0.08 0.99 -0.40 1.22 2.04 -0.83 -0.44 117.51 120.01 1xr2 h ILE 215 Ca 0.02 -0.16 -0.12 0.00 1.00 0.00 0.00 64.86 65.60 1xr2 h ILE 215 Cb 0.67 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1xr2 h ILE 215 CO 0.03 0.08 -0.23 0.25 0.00 0.00 0.00 178.15 178.29 1xr2 h LEU 216 N 0.46 0.90 -0.33 1.44 5.85 -1.17 -2.29 115.31 120.17 1xr2 h LEU 216 Ca 0.22 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.47 1xr2 h LEU 216 Cb 0.27 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1xr2 h LEU 216 CO -0.06 1.12 0.01 0.78 -0.34 0.00 0.00 178.44 179.96 1xr2 h ASN 217 N 0.68 0.57 -0.04 1.25 2.35 -1.14 0.05 115.58 119.30 1xr2 h ASN 217 Ca 0.08 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1xr2 h ASN 217 Cb 0.80 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.97 1xr2 h ASN 217 CO 0.07 0.73 -0.23 0.58 -1.65 0.00 0.00 177.43 176.92 1xr2 h VAL 218 N 0.39 0.45 0.00 2.81 2.07 -1.04 -2.76 116.25 118.17 1xr2 h VAL 218 Ca 0.10 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.51 1xr2 h VAL 218 Cb 0.43 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1xr2 h VAL 218 CO 0.01 0.00 -0.50 1.88 0.02 0.00 0.00 177.57 178.99 1xr2 h TYR 219 N -0.34 0.00 -0.27 1.57 0.05 -1.37 -2.72 116.97 113.89 1xr2 h TYR 219 Ca 0.07 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.86 1xr2 h TYR 219 Cb 0.45 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1xr2 h TYR 219 CO -0.29 0.50 0.18 0.00 -1.05 0.00 0.00 178.16 177.49 1xr2 h ARG 220 N 0.00 0.32 0.00 4.88 -0.00 -0.75 0.10 114.38 118.94 1xr2 h ARG 220 Ca -0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.46 1xr2 h ARG 220 Cb 1.08 -0.07 0.00 0.00 0.00 0.00 0.00 29.97 30.98 1xr2 h ARG 220 CO 0.06 0.21 0.00 1.05 0.00 0.00 0.00 179.97 181.30 1xr2 h GLU 221 N 0.33 0.00 -0.27 0.04 -0.00 -1.21 -3.13 114.58 110.35 1xr2 h GLU 221 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.46 1xr2 h GLU 221 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.76 1xr2 h GLU 221 CO -0.02 0.00 0.00 1.28 -0.00 0.00 0.00 179.01 180.27 1xr2 n LEU 222 N -2.32 3.09 0.19 3.06 4.77 0.23 -4.66 117.00 121.35 1xr2 n LEU 222 Ca 0.05 -2.36 0.06 0.00 -0.03 0.00 0.00 56.01 53.73 1xr2 n LEU 222 Cb 0.39 -0.31 0.54 0.00 -2.33 0.00 0.00 43.42 41.70 1xr2 n LEU 222 CO 0.28 0.69 1.02 0.77 -1.33 0.00 0.00 177.39 178.82 1xr2 h SER 223 N 1.65 0.11 0.28 -1.43 4.64 -1.14 -2.59 113.55 115.07 1xr2 h SER 223 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1xr2 h SER 223 Cb 0.93 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1xr2 h SER 223 CO 0.07 0.15 0.00 -0.62 -0.87 0.00 0.00 176.83 175.56 1xr2 n GLU 224 N -4.44 0.10 -4.09 4.77 4.71 -1.26 -4.76 120.64 115.66 1xr2 n GLU 224 Ca -0.02 0.23 -0.31 0.00 -0.01 0.00 0.00 57.16 57.05 1xr2 n GLU 224 Cb 0.14 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 29.01 1xr2 n GLU 224 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1xr2 s PHE 225 N -2.74 3.19 -0.95 -0.32 0.40 -0.98 -5.02 117.98 111.56 1xr2 s PHE 225 Ca 0.09 0.10 -0.19 0.00 -0.60 0.00 0.00 56.93 56.33 1xr2 s PHE 225 Cb 0.07 -1.65 -0.10 0.00 0.51 0.00 0.00 43.02 41.85 1xr2 s PHE 225 CO 0.18 0.52 2.02 -0.35 0.70 0.00 0.00 175.22 178.29 1xr2 n PRO 226 N 0.75 1.88 -3.66 0.24 -0.04 -1.26 -4.93 135.00 127.98 1xr2 n PRO 226 Ca -0.10 -2.02 -0.34 0.00 -0.04 0.00 0.00 63.50 61.00 1xr2 n PRO 226 Cb 0.52 -2.99 -0.05 0.00 -0.04 0.00 0.00 33.50 30.94 1xr2 n PRO 226 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xr2 s LEU 227 N 1.36 4.34 -0.18 1.53 1.43 -1.26 -1.16 118.68 124.75 1xr2 s LEU 227 Ca 0.54 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 54.31 1xr2 s LEU 227 Cb 0.14 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.47 1xr2 s LEU 227 CO 0.06 0.18 -0.07 -0.89 0.23 0.00 0.00 176.35 175.86 1xr2 s THR 228 N -1.41 1.32 -0.11 5.49 2.01 -0.18 -4.13 115.64 118.63 1xr2 s THR 228 Ca 0.33 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.38 1xr2 s THR 228 Cb -0.13 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 1xr2 s THR 228 CO 0.19 0.15 0.43 -0.69 -0.69 0.00 0.00 174.62 174.00 1xr2 s VAL 229 N 1.54 5.19 -0.05 3.82 1.01 -1.04 -1.01 120.40 129.85 1xr2 s VAL 229 Ca -0.00 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.86 1xr2 s VAL 229 Cb -0.16 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 1xr2 s VAL 229 CO -0.08 0.37 -0.09 -0.36 0.00 0.00 0.00 175.10 174.94 1xr2 s PHE 230 N 0.36 2.86 0.00 5.22 0.40 0.65 -0.22 117.98 127.25 1xr2 s PHE 230 Ca 0.24 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.54 1xr2 s PHE 230 Cb -0.15 -1.67 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1xr2 s PHE 230 CO 0.09 0.30 -0.06 0.95 0.70 0.00 0.00 175.22 177.20 1xr2 s THR 231 N -0.81 0.43 0.21 0.64 -4.23 -1.18 -0.52 115.64 110.17 1xr2 s THR 231 Ca 0.13 -0.32 -0.23 0.00 -1.18 0.00 0.00 61.69 60.09 1xr2 s THR 231 Cb -0.11 -0.38 0.05 0.00 1.34 0.00 0.00 72.50 73.40 1xr2 s THR 231 CO 0.02 0.06 0.80 -0.72 -0.54 0.00 0.00 174.62 174.24 1xr2 s TYR 232 N -0.26 -0.22 0.00 3.99 -0.85 -1.26 -2.91 117.35 115.85 1xr2 s TYR 232 Ca 0.01 -0.14 0.00 0.00 -0.52 0.00 0.00 57.07 56.41 1xr2 s TYR 232 Cb -0.03 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.97 1xr2 s TYR 232 CO -0.00 -1.01 0.00 0.66 -1.52 0.00 0.00 175.55 173.68 1xr2 n TYR 233 N -0.44 0.00 -3.73 -3.49 0.53 -1.26 -4.80 117.16 103.96 1xr2 n TYR 233 Ca -0.06 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.85 1xr2 n TYR 233 Cb 0.60 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.92 1xr2 n TYR 233 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1xr2 s ASP 234 N -1.68 -0.01 0.64 7.72 3.68 -1.26 -4.92 116.67 120.83 1xr2 s ASP 234 Ca 0.00 -0.05 -0.15 0.00 2.13 0.00 0.00 52.55 54.48 1xr2 s ASP 234 Cb 0.00 0.05 -0.01 0.00 -1.45 0.00 0.00 42.92 41.51 1xr2 s ASP 234 CO 0.00 -0.09 1.09 -0.94 0.13 0.00 0.00 175.17 175.36 1xr2 s SER 235 N -3.33 5.36 0.11 -0.34 1.04 -1.26 -4.77 113.70 110.51 1xr2 s SER 235 Ca 0.21 1.92 -0.31 0.00 0.48 0.00 0.00 55.95 58.25 1xr2 s SER 235 Cb 0.04 -2.54 -0.07 0.00 0.10 0.00 0.00 66.02 63.55 1xr2 s SER 235 CO -0.05 -1.46 1.31 -0.69 0.98 0.00 0.00 173.24 173.34 1xr2 s VAL 236 N -2.40 3.54 0.31 5.02 1.01 -1.26 -4.44 120.40 122.19 1xr2 s VAL 236 Ca 0.65 1.13 0.06 0.00 0.00 0.00 0.00 61.98 63.82 1xr2 s VAL 236 Cb -0.19 -3.72 0.30 0.00 0.00 0.00 0.00 36.38 32.78 1xr2 s VAL 236 CO 0.40 0.10 1.82 0.77 0.00 0.00 0.00 175.10 178.19 1xr2 h SER 237 N 6.61 0.79 -3.14 3.32 4.64 -1.59 -3.34 113.55 120.84 1xr2 h SER 237 Ca -0.42 0.06 -0.60 0.00 -0.47 0.00 0.00 61.79 60.36 1xr2 h SER 237 Cb 1.21 -0.09 -0.40 0.00 -0.31 0.00 0.00 62.40 62.82 1xr2 h SER 237 CO 0.83 0.36 -0.78 -0.62 -0.87 0.00 0.00 176.83 175.75 1xr2 s ASP 238 N -5.60 3.40 0.15 4.97 -1.08 -1.26 -4.98 116.67 112.27 1xr2 s ASP 238 Ca -0.11 -2.41 -0.19 0.00 -0.52 0.00 0.00 52.55 49.32 1xr2 s ASP 238 Cb 0.23 -0.78 0.05 0.00 -1.46 0.00 0.00 42.92 40.97 1xr2 s ASP 238 CO 0.80 -0.29 1.66 0.22 0.52 0.00 0.00 175.17 178.08 1xr2 h TYR 239 N 6.91 -0.33 -0.32 -5.34 5.03 -1.99 -0.91 116.97 120.02 1xr2 h TYR 239 Ca 0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1xr2 h TYR 239 Cb 0.95 0.19 -0.02 0.00 1.55 0.00 0.00 36.73 39.41 1xr2 h TYR 239 CO 0.46 -0.21 0.20 0.93 -1.32 0.00 0.00 178.16 178.22 1xr2 h GLU 240 N -0.09 0.42 -0.77 1.82 4.39 -1.96 -0.45 114.58 117.94 1xr2 h GLU 240 Ca 0.16 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1xr2 h GLU 240 Cb 0.33 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 1xr2 h GLU 240 CO -0.37 0.31 0.39 0.00 -1.16 0.00 0.00 179.01 178.18 1xr2 h ALA 241 N 1.09 0.99 -0.25 3.43 0.00 -1.93 -2.15 119.26 120.44 1xr2 h ALA 241 Ca 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xr2 h ALA 241 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1xr2 h ALA 241 CO -0.02 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.77 1xr2 n VAL 243 N -4.65 0.60 1.18 0.00 0.24 -0.21 -2.10 118.33 113.40 1xr2 n VAL 243 Ca -0.04 0.15 0.12 0.00 -2.04 0.00 0.00 64.34 62.54 1xr2 n VAL 243 Cb 0.23 -0.84 0.27 0.00 -1.47 0.00 0.00 33.84 32.03 1xr2 n VAL 243 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1xr2 n SER 244 N -1.40 1.44 -4.76 -1.34 7.64 -0.82 -4.85 113.62 109.52 1xr2 n SER 244 Ca 0.06 -1.17 -0.41 0.00 1.01 0.00 0.00 58.87 58.36 1xr2 n SER 244 Cb 0.18 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.59 1xr2 n SER 244 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xr2 s LEU 245 N -2.43 4.35 -1.24 -3.43 1.02 -0.89 -4.88 118.68 111.18 1xr2 s LEU 245 Ca 0.24 2.90 -0.20 0.00 0.02 0.00 0.00 54.13 57.09 1xr2 s LEU 245 Cb 0.19 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.75 1xr2 s LEU 245 CO 0.51 -0.82 1.86 -0.81 0.02 0.00 0.00 176.35 177.10 1xr2 n PRO 246 N 1.55 2.47 -3.82 1.29 -0.04 -1.26 -4.83 135.00 130.36 1xr2 n PRO 246 Ca 0.05 -2.85 -0.13 0.00 -0.04 0.00 0.00 63.50 60.53 1xr2 n PRO 246 Cb 0.39 -3.55 -0.15 0.00 -0.04 0.00 0.00 33.50 30.16 1xr2 n PRO 246 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1xr2 s VAL 247 N 6.86 -0.02 0.33 0.52 -7.23 -1.26 -4.54 120.40 115.06 1xr2 s VAL 247 Ca 0.59 0.08 0.11 0.00 -1.81 0.00 0.00 61.98 60.96 1xr2 s VAL 247 Cb 0.03 -0.07 0.05 0.00 0.56 0.00 0.00 36.38 36.96 1xr2 s VAL 247 CO 0.09 0.03 1.75 0.07 -0.31 0.00 0.00 175.10 176.73 1xr2 h LYS 248 N 6.57 0.03 -3.74 4.82 -0.00 -1.88 -3.45 116.57 118.93 1xr2 h LYS 248 Ca -0.32 -0.02 -0.30 0.00 -0.00 0.00 0.00 60.65 60.01 1xr2 h LYS 248 Cb 1.18 -0.00 -0.32 0.00 -0.00 0.00 0.00 32.23 33.09 1xr2 h LYS 248 CO 0.49 0.48 -0.74 -0.98 -0.00 0.00 0.00 179.45 178.70 1xr2 s ARG 249 N -4.01 0.14 -0.08 0.07 1.70 -1.26 -1.19 118.95 114.31 1xr2 s ARG 249 Ca -0.03 0.05 0.03 0.00 -0.47 0.00 0.00 55.73 55.32 1xr2 s ARG 249 Cb 0.14 -0.28 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1xr2 s ARG 249 CO 0.74 -0.08 -0.20 -0.51 -1.08 0.00 0.00 175.30 174.18 1xr2 s LEU 250 N 0.62 1.93 -0.10 -1.89 1.43 -0.70 -2.51 118.68 117.47 1xr2 s LEU 250 Ca -0.06 -0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1xr2 s LEU 250 Cb -0.08 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.90 1xr2 s LEU 250 CO -0.01 0.12 0.12 -2.28 0.23 0.00 0.00 176.35 174.53 1xr2 s HIS 251 N 0.42 3.51 0.06 0.29 5.65 0.70 -0.62 115.29 125.31 1xr2 s HIS 251 Ca -0.16 0.45 0.04 0.00 0.25 0.00 0.00 55.06 55.63 1xr2 s HIS 251 Cb -0.17 -1.90 -0.03 0.00 -1.18 0.00 0.00 32.58 29.31 1xr2 s HIS 251 CO 0.07 0.68 -0.12 -0.06 -0.65 0.00 0.00 174.74 174.66 1xr2 s PHE 252 N -1.05 1.03 -0.48 3.88 0.40 -1.00 -3.13 117.98 117.63 1xr2 s PHE 252 Ca 0.16 -0.49 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 1xr2 s PHE 252 Cb -0.12 -0.58 0.04 0.00 0.51 0.00 0.00 43.02 42.87 1xr2 s PHE 252 CO 0.06 0.01 0.67 0.34 0.70 0.00 0.00 175.22 177.00 1xr2 s ASP 253 N -1.76 6.28 0.00 1.36 -1.08 -1.14 -1.41 116.67 118.91 1xr2 s ASP 253 Ca -0.04 -0.61 0.22 0.00 -0.52 0.00 0.00 52.55 51.60 1xr2 s ASP 253 Cb -0.09 -2.32 0.61 0.00 -1.46 0.00 0.00 42.92 39.65 1xr2 s ASP 253 CO 0.01 -0.89 1.51 0.49 0.52 0.00 0.00 175.17 176.81 1xr2 n PHE 254 N 6.37 0.90 -0.13 -5.34 3.72 -0.56 -4.51 117.46 117.91 1xr2 n PHE 254 Ca -0.04 -0.47 -0.23 0.00 -0.05 0.00 0.00 57.45 56.67 1xr2 n PHE 254 Cb 0.47 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.90 1xr2 n PHE 254 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1xr2 n VAL 255 N 1.58 1.45 1.29 -4.37 0.31 -1.24 -4.61 118.33 112.74 1xr2 n VAL 255 Ca 0.23 -0.47 0.14 0.00 -0.01 0.00 0.00 64.34 64.24 1xr2 n VAL 255 Cb 0.61 -1.60 0.71 0.00 -0.91 0.00 0.00 33.84 32.65 1xr2 n VAL 255 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xr2 n SER 256 N -3.67 0.00 -3.87 4.52 3.41 -1.26 -4.90 113.62 107.85 1xr2 n SER 256 Ca -0.48 0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.06 1xr2 n SER 256 Cb 0.93 -0.34 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 1xr2 n SER 256 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xr2 s ASN 257 N -2.69 0.05 -0.00 4.04 2.20 -1.26 -4.83 114.94 112.46 1xr2 s ASN 257 Ca 0.24 -1.03 0.04 0.00 -0.94 0.00 0.00 52.86 51.16 1xr2 s ASN 257 Cb 0.20 0.60 -0.05 0.00 -2.00 0.00 0.00 41.25 40.00 1xr2 s ASN 257 CO 0.47 -1.17 0.12 -1.84 -2.94 0.00 0.00 177.10 171.74 1xr2 n GLU 258 N -0.41 3.34 -0.23 3.55 -0.00 -1.26 -4.71 120.64 120.93 1xr2 n GLU 258 Ca -0.01 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.16 57.06 1xr2 n GLU 258 Cb 0.62 -0.85 0.03 0.00 -0.00 0.00 0.00 31.44 31.25 1xr2 n GLU 258 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1xr2 h GLU 259 N 0.00 0.98 -0.39 3.44 3.07 -1.96 -2.52 114.58 117.20 1xr2 h GLU 259 Ca 0.00 -0.21 0.07 0.00 -0.50 0.00 0.00 59.36 58.72 1xr2 h GLU 259 Cb 0.12 -0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 1xr2 h GLU 259 CO 0.00 0.86 0.02 -0.91 -1.40 0.00 0.00 179.01 177.58 1xr2 h ASN 260 N 0.91 -0.12 0.06 1.42 2.35 -1.88 -0.10 115.58 118.22 1xr2 h ASN 260 Ca 0.20 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1xr2 h ASN 260 Cb 0.29 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.80 1xr2 h ASN 260 CO -0.01 -0.03 -0.03 0.25 -1.65 0.00 0.00 177.43 175.97 1xr2 h LEU 261 N 0.12 -0.07 -0.69 1.61 5.85 -1.85 -1.39 115.31 118.88 1xr2 h LEU 261 Ca 0.19 -0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.97 1xr2 h LEU 261 Cb 0.26 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.23 1xr2 h LEU 261 CO -0.30 -0.01 0.33 0.11 -0.34 0.00 0.00 178.44 178.22 1xr2 h LYS 262 N -0.12 0.54 -0.68 1.25 1.79 -1.03 0.42 116.57 118.73 1xr2 h LYS 262 Ca -0.01 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.36 1xr2 h LYS 262 Cb 0.10 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.60 1xr2 h LYS 262 CO 0.01 0.36 0.15 -0.91 -1.08 0.00 0.00 179.45 177.98 1xr2 h ASN 263 N 0.55 1.03 -0.23 0.86 2.35 -0.79 -0.68 115.58 118.68 1xr2 h ASN 263 Ca 0.35 -0.22 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1xr2 h ASN 263 Cb 0.39 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1xr2 h ASN 263 CO -0.28 1.00 -0.09 0.25 -1.65 0.00 0.00 177.43 176.66 1xr2 h LEU 264 N 1.03 0.59 -0.90 1.61 6.46 -0.27 0.29 115.31 124.12 1xr2 h LEU 264 Ca 0.21 -0.15 -0.12 0.00 -0.12 0.00 0.00 57.88 57.71 1xr2 h LEU 264 Cb 0.39 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1xr2 h LEU 264 CO 0.01 0.72 -0.51 -0.33 -0.62 0.00 0.00 178.44 177.70 1xr2 h GLU 265 N 0.56 0.10 0.16 1.25 4.39 -0.34 0.47 114.58 121.18 1xr2 h GLU 265 Ca 0.10 -0.06 -0.35 0.00 0.34 0.00 0.00 59.36 59.40 1xr2 h GLU 265 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1xr2 h GLU 265 CO 0.03 0.59 -1.79 -0.22 -1.16 0.00 0.00 179.01 176.46 1xr2 h LYS 266 N 0.08 0.33 0.00 2.33 3.64 -0.64 -3.40 116.57 118.92 1xr2 h LYS 266 Ca 0.00 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1xr2 h LYS 266 Cb 0.93 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1xr2 h LYS 266 CO 0.07 1.27 -1.57 0.72 -2.27 0.00 0.00 179.45 177.67 1xr2 n HIS 267 N -3.61 0.00 -2.19 1.91 8.25 0.98 -5.09 115.22 115.46 1xr2 n HIS 267 Ca -0.27 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1xr2 n HIS 267 Cb 1.04 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.84 1xr2 n HIS 267 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xr2 n GLY 268 N 1.46 -2.21 2.92 -1.41 0.00 0.17 -4.92 105.19 101.19 1xr2 n GLY 268 Ca -0.02 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 1xr2 n GLY 268 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xr2 s PHE 269 N -0.42 0.91 -0.08 1.61 2.19 -1.26 -4.71 117.98 116.23 1xr2 s PHE 269 Ca 0.00 -0.29 -0.37 0.00 0.33 0.00 0.00 56.93 56.61 1xr2 s PHE 269 Cb 0.00 -0.76 -0.15 0.00 -1.31 0.00 0.00 43.02 40.80 1xr2 s PHE 269 CO 0.00 -0.21 1.67 -2.30 1.83 0.00 0.00 175.22 176.21 1xr2 n PRO 270 N 4.01 1.59 0.00 10.12 -0.02 -1.26 -4.83 135.00 144.61 1xr2 n PRO 270 Ca -0.24 0.58 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 1xr2 n PRO 270 Cb 0.51 -2.31 0.21 0.00 -0.02 0.00 0.00 33.50 31.89 1xr2 n PRO 270 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1xr2 n GLU 271 N 4.81 0.11 0.00 -0.52 0.00 -1.26 -1.51 120.64 122.26 1xr2 n GLU 271 Ca 0.22 0.22 0.14 0.00 0.00 0.00 0.00 57.16 57.74 1xr2 n GLU 271 Cb 0.21 -1.50 0.51 0.00 0.00 0.00 0.00 31.44 30.66 1xr2 n GLU 271 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 1xr2 n ASP 272 N -1.31 1.14 -4.17 -1.84 5.68 -1.26 -4.92 116.55 109.87 1xr2 n ASP 272 Ca 0.04 -1.16 -0.17 0.00 -0.50 0.00 0.00 54.79 53.01 1xr2 n ASP 272 Cb 0.07 0.04 -0.10 0.00 -1.14 0.00 0.00 41.12 39.99 1xr2 n ASP 272 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1xr2 s LYS 273 N -2.23 1.45 -0.06 0.11 1.02 -0.57 -4.90 119.74 114.55 1xr2 s LYS 273 Ca 0.33 -1.80 0.03 0.00 0.02 0.00 0.00 55.97 54.55 1xr2 s LYS 273 Cb 0.20 -0.12 -0.02 0.00 -0.52 0.00 0.00 37.83 37.38 1xr2 s LYS 273 CO 0.42 -0.37 -0.16 0.15 -0.92 0.00 0.00 175.35 174.47 1xr2 s LYS 274 N -3.97 2.66 -0.05 1.68 1.02 -0.34 -4.89 119.74 115.86 1xr2 s LYS 274 Ca 0.37 -0.73 -0.15 0.00 0.02 0.00 0.00 55.97 55.49 1xr2 s LYS 274 Cb 0.07 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 1xr2 s LYS 274 CO 0.15 0.51 0.39 -1.17 -0.92 0.00 0.00 175.35 174.31 1xr2 s LEU 275 N -0.45 4.40 -0.30 3.17 2.96 -1.26 -1.72 118.68 125.47 1xr2 s LEU 275 Ca 0.05 0.84 -0.03 0.00 -0.22 0.00 0.00 54.13 54.77 1xr2 s LEU 275 Cb -0.12 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.07 1xr2 s LEU 275 CO 0.02 0.23 0.02 -0.69 -1.32 0.00 0.00 176.35 174.61 1xr2 s VAL 276 N -0.51 3.20 -0.39 1.68 1.01 0.21 -3.61 120.40 121.98 1xr2 s VAL 276 Ca 0.22 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.69 1xr2 s VAL 276 Cb -0.16 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.43 1xr2 s VAL 276 CO 0.11 -0.09 0.86 0.00 0.00 0.00 0.00 175.10 175.97 1xr2 s ALA 277 N 1.30 3.37 -0.75 5.51 0.00 -0.47 -2.37 121.76 128.36 1xr2 s ALA 277 Ca -0.04 -0.65 -0.24 0.00 0.00 0.00 0.00 51.96 51.03 1xr2 s ALA 277 Cb -0.19 -3.49 0.06 0.00 0.00 0.00 0.00 23.12 19.50 1xr2 s ALA 277 CO -0.00 -1.69 1.15 0.20 0.00 0.00 0.00 175.76 175.42 1xr2 s GLY 278 N 1.97 1.21 0.00 0.00 0.00 -0.50 -1.71 107.32 108.29 1xr2 s GLY 278 Ca 0.34 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.30 1xr2 s GLY 278 CO 0.20 2.35 0.42 3.33 0.00 0.00 0.00 173.10 179.39 1xr2 n VAL 279 N 6.16 0.00 -3.79 1.40 0.24 -0.61 -1.49 118.33 120.24 1xr2 n VAL 279 Ca 0.04 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.34 61.47 1xr2 n VAL 279 Cb 0.48 1.00 -0.13 0.00 -1.47 0.00 0.00 33.84 33.72 1xr2 n VAL 279 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xr2 s ILE 280 N -0.21 3.75 0.18 1.34 -1.09 -1.20 -4.86 121.20 119.11 1xr2 s ILE 280 Ca 0.00 -0.90 -0.33 0.00 -2.23 0.00 0.00 60.65 57.19 1xr2 s ILE 280 Cb 0.00 -3.00 -0.14 0.00 -1.58 0.00 0.00 42.46 37.74 1xr2 s ILE 280 CO 0.00 0.00 1.43 -3.20 -1.23 0.00 0.00 174.94 171.95 1xr2 n ASN 281 N 4.82 2.57 -0.49 3.58 2.85 -1.26 -0.12 115.26 127.20 1xr2 n ASN 281 Ca -0.14 1.12 0.08 0.00 -0.11 0.00 0.00 54.58 55.53 1xr2 n ASN 281 Cb 0.47 -1.37 0.02 0.00 1.24 0.00 0.00 39.78 40.14 1xr2 n ASN 281 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xr2 n GLY 282 N 2.62 0.09 0.16 8.20 0.00 -1.26 -4.50 105.19 110.51 1xr2 n GLY 282 Ca 0.15 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1xr2 n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xr2 n ARG 283 N 0.27 -0.23 -4.31 1.61 1.74 -1.26 -4.11 116.66 110.37 1xr2 n ARG 283 Ca 0.08 -0.79 -0.18 0.00 -0.77 0.00 0.00 57.85 56.18 1xr2 n ARG 283 Cb 0.38 -1.07 -0.14 0.00 -1.02 0.00 0.00 32.46 30.61 1xr2 n ARG 283 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1xr2 s GLN 284 N -0.36 0.78 -0.16 5.56 2.00 -1.26 -4.94 119.66 121.28 1xr2 s GLN 284 Ca 0.05 -0.58 0.05 0.00 -2.00 0.00 0.00 55.36 52.88 1xr2 s GLN 284 Cb 0.03 -0.74 0.40 0.00 0.80 0.00 0.00 33.01 33.50 1xr2 s GLN 284 CO 0.05 0.19 1.25 -0.35 -0.50 0.00 0.00 175.29 175.92 1xr2 n PRO 285 N 2.23 2.56 -3.57 1.67 -0.04 -1.26 -4.88 135.00 131.71 1xr2 n PRO 285 Ca -0.17 -1.59 -0.34 0.00 -0.04 0.00 0.00 63.50 61.36 1xr2 n PRO 285 Cb 0.56 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 1xr2 n PRO 285 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1xr2 s TRP 286 N -1.83 3.55 0.40 0.54 0.52 -1.26 0.27 118.94 121.13 1xr2 s TRP 286 Ca 0.28 0.76 -0.24 0.00 0.02 0.00 0.00 56.10 56.93 1xr2 s TRP 286 Cb 0.22 -2.15 -0.09 0.00 -1.15 0.00 0.00 33.47 30.31 1xr2 s TRP 286 CO 0.07 0.47 1.08 0.15 0.02 0.00 0.00 176.95 178.75 1xr2 s LYS 287 N -2.14 4.10 0.17 4.98 1.02 -0.39 -4.67 119.74 122.80 1xr2 s LYS 287 Ca 0.36 1.61 0.10 0.00 0.02 0.00 0.00 55.97 58.05 1xr2 s LYS 287 Cb -0.13 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 1xr2 s LYS 287 CO 0.20 -0.22 -0.21 0.14 -0.92 0.00 0.00 175.35 174.34 1xr2 s VAL 288 N -1.59 2.01 -0.62 3.17 -7.23 -1.26 -5.00 120.40 109.87 1xr2 s VAL 288 Ca 0.58 -1.93 -0.27 0.00 -1.81 0.00 0.00 61.98 58.56 1xr2 s VAL 288 Cb -0.24 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1xr2 s VAL 288 CO 0.31 -0.22 1.60 -0.62 -0.31 0.00 0.00 175.10 175.86 1xr2 s ASP 289 N -2.60 5.73 0.64 4.85 2.15 -1.26 -4.86 116.67 121.33 1xr2 s ASP 289 Ca 0.17 0.16 0.38 0.00 0.43 0.00 0.00 52.55 53.69 1xr2 s ASP 289 Cb -0.07 -2.54 2.11 0.00 -0.30 0.00 0.00 42.92 42.12 1xr2 s ASP 289 CO 0.08 -2.05 2.26 -0.07 -0.17 0.00 0.00 175.17 175.22 1xr2 h LEU 290 N 14.62 0.00 -0.65 -1.34 -0.00 -1.99 -1.42 115.31 124.53 1xr2 h LEU 290 Ca -0.27 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.51 1xr2 h LEU 290 Cb 1.12 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 1xr2 h LEU 290 CO 1.22 0.00 -0.03 0.03 -0.00 0.00 0.00 178.44 179.66 1xr2 h ARG 291 N 0.00 1.03 -0.16 1.13 -0.00 -1.99 -0.08 114.38 114.31 1xr2 h ARG 291 Ca 0.01 -0.33 -0.19 0.00 -0.50 0.00 0.00 59.98 58.96 1xr2 h ARG 291 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 29.97 30.02 1xr2 h ARG 291 CO -0.00 1.02 -0.68 1.57 0.00 0.00 0.00 179.97 181.88 1xr2 h LYS 292 N 0.93 0.64 -0.72 0.04 5.09 -1.67 -2.06 116.57 118.82 1xr2 h LYS 292 Ca 0.16 -0.48 -0.07 0.00 0.09 0.00 0.00 60.65 60.36 1xr2 h LYS 292 Cb 0.58 0.09 -0.03 0.00 0.10 0.00 0.00 32.23 32.96 1xr2 h LYS 292 CO 0.03 1.10 0.19 0.28 -2.09 0.00 0.00 179.45 178.96 1xr2 h VAL 293 N 0.46 1.26 -0.87 0.07 2.07 -1.30 -2.27 116.25 115.67 1xr2 h VAL 293 Ca -0.02 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 1xr2 h VAL 293 Cb 1.27 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1xr2 h VAL 293 CO 0.13 0.37 0.53 0.00 0.02 0.00 0.00 177.57 178.62 1xr2 h ALA 294 N 1.10 1.11 -0.42 1.67 0.00 -0.88 -1.43 119.26 120.41 1xr2 h ALA 294 Ca 0.23 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1xr2 h ALA 294 Cb 0.36 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1xr2 h ALA 294 CO -0.00 0.57 0.25 0.77 0.00 0.00 0.00 179.25 180.85 1xr2 h SER 295 N 1.20 0.41 -0.54 0.00 0.02 -0.93 -2.10 113.55 111.62 1xr2 h SER 295 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1xr2 h SER 295 Cb -0.05 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1xr2 h SER 295 CO -0.06 0.30 0.34 0.25 -1.14 0.00 0.00 176.83 176.52 1xr2 h LEU 296 N 0.51 0.63 0.05 5.07 5.85 -0.87 0.05 115.31 126.60 1xr2 h LEU 296 Ca 0.17 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1xr2 h LEU 296 Cb -0.00 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1xr2 h LEU 296 CO -0.07 0.48 -0.19 0.58 -0.34 0.00 0.00 178.44 178.91 1xr2 h VAL 297 N 0.72 0.56 -0.69 1.05 2.07 -0.94 0.37 116.25 119.40 1xr2 h VAL 297 Ca 0.19 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 1xr2 h VAL 297 Cb -0.04 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 1xr2 h VAL 297 CO -0.04 0.00 0.36 -0.33 0.02 0.00 0.00 177.57 177.58 1xr2 h GLU 298 N -0.33 0.61 -0.39 1.57 4.39 -1.13 -1.17 114.58 118.13 1xr2 h GLU 298 Ca 0.04 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xr2 h GLU 298 Cb 0.38 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 1xr2 h GLU 298 CO -0.14 0.40 0.23 -0.22 -1.16 0.00 0.00 179.01 178.12 1xr2 h LYS 299 N 0.63 0.53 0.00 2.33 3.64 -0.27 -1.39 116.57 122.03 1xr2 h LYS 299 Ca 0.33 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 1xr2 h LYS 299 Cb 0.30 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1xr2 h LYS 299 CO -0.24 0.40 0.00 -0.07 -2.27 0.00 0.00 179.45 177.27 1xr2 h LEU 300 N 0.50 0.00 0.00 5.20 4.07 0.75 -3.45 115.31 122.39 1xr2 h LEU 300 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1xr2 h LEU 300 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1xr2 h LEU 300 CO -0.03 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.94 1xr2 n GLY 301 N -0.88 0.53 3.79 0.83 0.00 -0.52 -4.99 105.19 103.95 1xr2 n GLY 301 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1xr2 n GLY 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xr2 s ALA 302 N -2.43 3.10 -0.18 4.61 0.00 -1.19 -4.94 121.76 120.74 1xr2 s ALA 302 Ca 0.00 0.56 0.17 0.00 0.00 0.00 0.00 51.96 52.69 1xr2 s ALA 302 Cb 0.00 -3.21 0.44 0.00 0.00 0.00 0.00 23.12 20.35 1xr2 s ALA 302 CO 0.00 -0.01 1.32 0.45 0.00 0.00 0.00 175.76 177.52 1xr2 n SER 303 N -0.06 3.33 -3.85 0.00 2.88 -1.26 -4.72 113.62 109.94 1xr2 n SER 303 Ca 0.05 -3.00 -0.12 0.00 -1.33 0.00 0.00 58.87 54.47 1xr2 n SER 303 Cb 0.51 -0.49 -0.12 0.00 -0.75 0.00 0.00 64.21 63.36 1xr2 n SER 303 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xr2 s ALA 304 N -2.78 -0.30 0.26 -1.46 0.00 -1.24 -2.38 121.76 113.87 1xr2 s ALA 304 Ca 0.38 0.16 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1xr2 s ALA 304 Cb 0.31 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1xr2 s ALA 304 CO 0.07 -0.11 0.07 0.96 0.00 0.00 0.00 175.76 176.75 1xr2 s ILE 305 N -0.47 0.72 -0.05 0.00 -4.36 -0.66 -1.37 121.20 115.01 1xr2 s ILE 305 Ca -0.05 -2.00 -0.30 0.00 -0.26 0.00 0.00 60.65 58.03 1xr2 s ILE 305 Cb -0.04 -2.61 0.11 0.00 1.25 0.00 0.00 42.46 41.17 1xr2 s ILE 305 CO 0.01 -0.06 1.34 -0.94 0.24 0.00 0.00 174.94 175.52 1xr2 s SER 306 N -3.34 -0.00 0.63 4.36 1.04 -0.69 -0.62 113.70 115.07 1xr2 s SER 306 Ca 0.36 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1xr2 s SER 306 Cb 0.08 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.26 1xr2 s SER 306 CO 0.13 -0.16 1.06 0.54 0.98 0.00 0.00 173.24 175.79 1xr2 s ASN 307 N -3.68 5.62 0.02 7.02 4.22 -1.26 -1.58 114.94 125.30 1xr2 s ASN 307 Ca 0.27 1.78 -0.24 0.00 -2.14 0.00 0.00 52.86 52.54 1xr2 s ASN 307 Cb 0.01 -2.53 -0.17 0.00 1.28 0.00 0.00 41.25 39.85 1xr2 s ASN 307 CO -0.03 -1.28 1.38 0.77 -2.04 0.00 0.00 177.10 175.91 1xr2 h SER 308 N 0.11 0.12 -4.82 3.54 4.64 -0.71 -3.41 113.55 113.02 1xr2 h SER 308 Ca -0.46 -0.39 -0.34 0.00 -0.47 0.00 0.00 61.79 60.13 1xr2 h SER 308 Cb 1.22 -0.03 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 1xr2 h SER 308 CO 0.57 0.49 -0.60 0.00 -0.87 0.00 0.00 176.83 176.41 1xr2 n PRO 310 N -0.44 0.60 0.01 0.00 -0.02 -1.26 -4.26 135.00 129.62 1xr2 n PRO 310 Ca 0.01 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.84 1xr2 n PRO 310 Cb 0.66 -1.43 0.59 0.00 -0.02 0.00 0.00 33.50 33.30 1xr2 n PRO 310 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xr2 n LEU 311 N 1.71 0.12 0.00 2.45 4.77 -0.98 -3.85 117.00 121.22 1xr2 n LEU 311 Ca 0.15 0.50 0.05 0.00 -0.03 0.00 0.00 56.01 56.68 1xr2 n LEU 311 Cb 0.26 -0.47 0.29 0.00 -2.33 0.00 0.00 43.42 41.17 1xr2 n LEU 311 CO 0.58 -0.02 0.50 2.22 -1.33 0.00 0.00 177.39 179.34 1xr2 n PHE 312 N -1.60 0.00 1.46 -1.77 -0.00 0.43 -1.28 117.46 114.70 1xr2 n PHE 312 Ca 0.07 0.00 0.14 0.00 -0.00 0.00 0.00 57.45 57.66 1xr2 n PHE 312 Cb 0.35 0.00 0.49 0.00 -0.00 0.00 0.00 39.48 40.32 1xr2 n PHE 312 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.76 177.48 1xr2 n HIS 313 N -0.83 0.00 -4.44 2.97 8.25 -1.25 -4.46 115.22 115.47 1xr2 n HIS 313 Ca 0.07 -0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.29 1xr2 n HIS 313 Cb 0.03 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.05 1xr2 n HIS 313 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xr2 s LEU 314 N -2.00 2.76 0.92 2.41 1.43 -0.41 -4.87 118.68 118.92 1xr2 s LEU 314 Ca 0.37 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1xr2 s LEU 314 Cb 0.21 -1.21 0.14 0.00 0.03 0.00 0.00 46.19 45.36 1xr2 s LEU 314 CO 0.33 -0.04 1.09 -2.84 0.23 0.00 0.00 176.35 175.12 1xr2 s PRO 315 N -3.58 1.08 0.03 1.29 0.02 -1.26 -4.70 135.00 127.88 1xr2 s PRO 315 Ca 0.31 0.77 -0.25 0.00 0.02 0.00 0.00 61.00 61.85 1xr2 s PRO 315 Cb -0.03 -1.79 -0.17 0.00 0.02 0.00 0.00 34.50 32.52 1xr2 s PRO 315 CO 0.17 -2.35 1.46 0.28 -0.33 0.00 0.00 177.00 176.23 1xr2 h VAL 316 N -1.63 0.99 -2.30 3.83 2.07 -1.86 -0.76 116.25 116.59 1xr2 h VAL 316 Ca -0.50 -0.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.44 1xr2 h VAL 316 Cb 1.29 1.30 -0.20 0.00 -1.52 0.00 0.00 31.29 32.17 1xr2 h VAL 316 CO 0.55 0.12 0.05 0.28 0.02 0.00 0.00 177.57 178.59 1xr2 s THR 317 N -5.21 0.02 -0.31 2.57 -1.32 -1.26 -1.02 115.64 109.11 1xr2 s THR 317 Ca -0.15 -0.13 0.22 0.00 -1.21 0.00 0.00 61.69 60.42 1xr2 s THR 317 Cb 0.04 -0.88 0.14 0.00 -1.51 0.00 0.00 72.50 70.28 1xr2 s THR 317 CO 0.63 -0.07 1.30 0.25 -2.21 0.00 0.00 174.62 174.52 1xr2 h LEU 318 N 3.42 0.00 -0.47 9.08 5.85 -1.91 -3.42 115.31 127.87 1xr2 h LEU 318 Ca -0.28 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.51 1xr2 h LEU 318 Cb 1.15 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.11 1xr2 h LEU 318 CO 0.37 0.09 -0.18 -0.62 -0.34 0.00 0.00 178.44 177.76 1xr2 n GLU 319 N -2.92 -0.11 -0.95 1.25 4.71 -1.26 -0.79 120.64 120.57 1xr2 n GLU 319 Ca 0.01 0.72 0.02 0.00 -0.01 0.00 0.00 57.16 57.90 1xr2 n GLU 319 Cb 0.58 -1.06 0.37 0.00 -1.01 0.00 0.00 31.44 30.32 1xr2 n GLU 319 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1xr2 n LEU 320 N -4.69 5.92 -4.42 -4.62 4.32 -1.26 -4.75 117.00 107.50 1xr2 n LEU 320 Ca 0.05 -3.03 -0.45 0.00 -0.02 0.00 0.00 56.01 52.56 1xr2 n LEU 320 Cb 0.19 -0.71 -0.01 0.00 -1.62 0.00 0.00 43.42 41.27 1xr2 n LEU 320 CO -0.06 0.69 1.06 -1.61 -1.22 0.00 0.00 177.39 176.25 1xr2 s GLU 321 N -2.85 3.97 -0.10 3.23 0.41 0.03 -4.76 118.70 118.63 1xr2 s GLU 321 Ca 0.55 -2.56 0.14 0.00 -0.41 0.00 0.00 54.97 52.69 1xr2 s GLU 321 Cb 0.43 -4.85 0.43 0.00 -1.78 0.00 0.00 34.13 28.36 1xr2 s GLU 321 CO 0.15 -1.59 1.35 0.09 -0.49 0.00 0.00 175.26 174.77 1xr2 n ASN 322 N 4.95 3.45 -0.08 -0.19 3.02 -1.26 -4.43 115.26 120.72 1xr2 n ASN 322 Ca 0.29 -2.55 0.07 0.00 -0.03 0.00 0.00 54.58 52.36 1xr2 n ASN 322 Cb 0.44 -0.40 0.10 0.00 -0.61 0.00 0.00 39.78 39.31 1xr2 n ASN 322 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1xr2 n ASN 323 N -0.04 2.12 -4.80 6.41 4.05 -1.26 -5.05 115.26 116.68 1xr2 n ASN 323 Ca 0.17 -2.77 -0.32 0.00 0.45 0.00 0.00 54.58 52.11 1xr2 n ASN 323 Cb 0.68 -0.32 0.04 0.00 1.23 0.00 0.00 39.78 41.41 1xr2 n ASN 323 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1xr2 s LEU 324 N -2.28 3.31 1.00 1.20 1.02 -1.26 -5.00 118.68 116.67 1xr2 s LEU 324 Ca 0.23 1.75 -0.15 0.00 0.02 0.00 0.00 54.13 55.98 1xr2 s LEU 324 Cb 0.20 -4.52 0.03 0.00 0.02 0.00 0.00 46.19 41.93 1xr2 s LEU 324 CO 0.02 -1.38 0.16 -2.65 0.02 0.00 0.00 176.35 172.53 1xr2 n PRO 325 N -2.61 -0.59 -2.13 1.29 -0.02 -1.26 -4.83 135.00 124.85 1xr2 n PRO 325 Ca 0.08 -0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 1xr2 n PRO 325 Cb 0.53 -1.73 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 1xr2 n PRO 325 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1xr2 s GLY 326 N -1.87 1.68 0.00 -1.23 0.00 -1.26 -2.95 107.32 101.69 1xr2 s GLY 326 Ca 0.55 0.91 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1xr2 s GLY 326 CO 0.68 2.74 0.00 0.61 0.00 0.00 0.00 173.10 177.13 1xr2 n GLY 327 N 3.85 0.95 0.08 0.20 0.00 -1.26 -4.96 105.19 104.06 1xr2 n GLY 327 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.03 1xr2 n GLY 327 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xr2 h LEU 328 N 0.00 0.09 -0.94 0.99 5.85 -1.87 -3.34 115.31 116.09 1xr2 h LEU 328 Ca 0.00 -0.77 0.18 0.00 0.84 0.00 0.00 57.88 58.13 1xr2 h LEU 328 Cb 0.00 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 1xr2 h LEU 328 CO 0.00 0.85 0.53 0.50 -0.34 0.00 0.00 178.44 179.98 1xr2 h LYS 329 N -0.66 0.66 0.00 1.25 3.64 -1.91 0.12 116.57 119.68 1xr2 h LYS 329 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xr2 h LYS 329 Cb 0.86 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1xr2 h LYS 329 CO 0.02 0.44 0.00 0.39 -2.27 0.00 0.00 179.45 178.03 1xr2 n GLU 330 N -4.83 0.03 0.00 1.90 4.71 -1.25 -1.65 120.64 119.54 1xr2 n GLU 330 Ca 0.21 0.40 0.06 0.00 -0.01 0.00 0.00 57.16 57.82 1xr2 n GLU 330 Cb 0.53 -1.58 0.03 0.00 -1.01 0.00 0.00 31.44 29.41 1xr2 n GLU 330 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1xr2 n LYS 331 N -1.64 1.33 -3.03 3.49 5.02 0.41 -4.95 118.16 118.79 1xr2 n LYS 331 Ca 0.02 -0.98 -0.20 0.00 -2.02 0.00 0.00 58.31 55.13 1xr2 n LYS 331 Cb 0.10 -1.20 0.01 0.00 -0.02 0.00 0.00 35.03 33.92 1xr2 n LYS 331 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xr2 s LEU 332 N -1.38 3.64 -0.30 -0.35 1.02 -0.66 -1.27 118.68 119.37 1xr2 s LEU 332 Ca 0.12 -0.04 -0.12 0.00 0.02 0.00 0.00 54.13 54.11 1xr2 s LEU 332 Cb 0.10 -2.89 0.16 0.00 0.02 0.00 0.00 46.19 43.58 1xr2 s LEU 332 CO 0.23 -0.76 0.88 0.00 0.02 0.00 0.00 176.35 176.72 1xr2 s ALA 333 N -2.47 -2.56 0.00 4.21 0.00 0.14 -4.44 121.76 116.64 1xr2 s ALA 333 Ca 0.51 2.06 0.00 0.00 0.00 0.00 0.00 51.96 54.53 1xr2 s ALA 333 Cb -0.10 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 20.99 1xr2 s ALA 333 CO 0.35 -1.02 0.00 1.19 0.00 0.00 0.00 175.76 176.29 1xr2 n PHE 334 N 5.17 -2.84 -0.29 0.00 3.72 -1.26 -4.30 117.46 117.66 1xr2 n PHE 334 Ca -0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.19 1xr2 n PHE 334 Cb 0.52 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.96 1xr2 n PHE 334 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xr2 h ALA 335 N 0.43 -0.63 -1.00 4.37 0.00 -1.17 0.19 119.26 121.45 1xr2 h ALA 335 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1xr2 h ALA 335 Cb 0.00 1.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1xr2 h ALA 335 CO 0.00 -0.97 0.66 -0.22 0.00 0.00 0.00 179.25 178.71 1xr2 h LYS 336 N -0.16 1.25 0.00 0.00 3.64 -1.31 -1.23 116.57 118.77 1xr2 h LYS 336 Ca 0.12 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1xr2 h LYS 336 Cb 0.47 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1xr2 h LYS 336 CO -0.77 0.83 -0.36 0.93 -2.27 0.00 0.00 179.45 177.81 1xr2 h GLU 337 N 1.29 0.00 -0.07 1.90 3.07 -1.45 -2.09 114.58 117.22 1xr2 h GLU 337 Ca 0.39 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.24 1xr2 h GLU 337 Cb -0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1xr2 h GLU 337 CO -0.11 0.36 0.00 0.87 -1.40 0.00 0.00 179.01 178.73 1xr2 h LYS 338 N 0.00 0.13 -0.65 2.33 1.79 0.46 -0.06 116.57 120.57 1xr2 h LYS 338 Ca -0.00 -0.04 0.12 0.00 -2.18 0.00 0.00 60.65 58.55 1xr2 h LYS 338 Cb 0.65 -0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 31.20 1xr2 h LYS 338 CO 0.05 0.39 0.19 -0.07 -1.08 0.00 0.00 179.45 178.92 1xr2 h LEU 339 N -0.15 0.11 -1.39 2.94 4.07 -1.09 0.26 115.31 120.06 1xr2 h LEU 339 Ca 0.02 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 1xr2 h LEU 339 Cb 0.33 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1xr2 h LEU 339 CO 0.00 0.05 -0.30 -0.33 -1.08 0.00 0.00 178.44 176.78 1xr2 h GLU 340 N 0.33 0.01 -0.13 1.13 5.08 -1.09 -2.04 114.58 117.87 1xr2 h GLU 340 Ca 0.34 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.62 1xr2 h GLU 340 Cb 0.51 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1xr2 h GLU 340 CO -0.40 0.31 -0.29 0.93 -1.00 0.00 0.00 179.01 178.57 1xr2 h GLU 341 N 0.01 0.25 0.00 2.33 5.08 0.14 -2.24 114.58 120.15 1xr2 h GLU 341 Ca -0.00 -0.09 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 1xr2 h GLU 341 Cb 0.54 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1xr2 h GLU 341 CO 0.04 0.52 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.94 1xr2 h LEU 342 N 0.22 0.00 -0.14 1.33 3.38 -0.55 -1.91 115.31 117.64 1xr2 h LEU 342 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1xr2 h LEU 342 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1xr2 h LEU 342 CO 0.05 0.56 -0.34 0.50 0.09 0.00 0.00 178.44 179.29 1xr2 h LYS 343 N 0.00 0.49 -0.74 1.13 3.64 -1.19 -0.22 116.57 119.67 1xr2 h LYS 343 Ca -0.01 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1xr2 h LYS 343 Cb 1.03 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1xr2 h LYS 343 CO 0.07 0.94 0.41 0.52 -2.27 0.00 0.00 179.45 179.13 1xr2 h MET 344 N 0.10 1.03 -0.62 1.90 2.86 -1.37 0.20 114.93 119.02 1xr2 h MET 344 Ca -0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1xr2 h MET 344 Cb 0.95 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.37 1xr2 h MET 344 CO 0.07 0.76 0.21 1.25 1.06 0.00 0.00 176.91 180.26 1xr2 h LEU 345 N 1.02 0.86 0.09 1.22 5.85 -1.28 0.25 115.31 123.32 1xr2 h LEU 345 Ca 0.26 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1xr2 h LEU 345 Cb 0.02 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1xr2 h LEU 345 CO -0.04 0.80 -0.04 0.50 -0.34 0.00 0.00 178.44 179.31 1xr2 h LYS 346 N 0.91 -0.11 -0.04 1.25 3.64 0.06 -1.75 116.57 120.53 1xr2 h LYS 346 Ca 0.21 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1xr2 h LYS 346 Cb 0.24 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1xr2 h LYS 346 CO -0.01 0.11 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.80 1xr2 h ASP 347 N -0.32 -0.12 0.14 4.20 3.32 -0.34 -1.15 116.42 122.15 1xr2 h ASP 347 Ca -0.01 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.08 1xr2 h ASP 347 Cb 0.27 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.85 1xr2 h ASP 347 CO 0.02 -0.06 -0.33 0.15 -1.72 0.00 0.00 179.24 177.30 1xr2 h PHE 348 N -0.05 -0.90 -0.96 4.55 3.57 -0.94 -0.28 116.94 121.93 1xr2 h PHE 348 Ca 0.03 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1xr2 h PHE 348 Cb 0.10 0.38 -0.08 0.00 2.79 0.00 0.00 35.95 39.14 1xr2 h PHE 348 CO -0.13 -0.44 0.59 -0.07 -2.23 0.00 0.00 178.31 176.03 1xr2 h LEU 349 N -0.57 0.88 0.00 0.59 3.38 -1.19 0.13 115.31 118.53 1xr2 h LEU 349 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1xr2 h LEU 349 Cb 0.59 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1xr2 h LEU 349 CO -0.18 0.49 0.00 -0.62 0.09 0.00 0.00 178.44 178.22 1xr2 n GLU 350 N -4.63 0.70 -0.99 1.13 1.02 -0.45 -4.87 120.64 112.55 1xr2 n GLU 350 Ca 0.17 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1xr2 n GLU 350 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1xr2 n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xr2 n GLY 351 N 0.94 0.97 0.31 0.62 0.00 0.44 -4.86 105.19 103.61 1xr2 n GLY 351 Ca 0.18 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.39 1xr2 n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xr2 h LYS 352 N 2.90 0.00 0.00 1.61 1.57 -1.32 -3.48 116.57 117.85 1xr2 h LYS 352 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xr2 h LYS 352 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xr2 h LYS 352 CO 0.00 0.02 0.00 0.25 -0.57 0.00 0.00 179.45 179.15 1xr2 n THR 353 N -3.25 0.00 -0.74 -0.16 -2.24 -1.17 -4.97 114.28 101.75 1xr2 n THR 353 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1xr2 n THR 353 Cb 0.16 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1xr2 n THR 353 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xr2 n ASP 363 N 0.00 -4.05 -4.68 3.42 -0.08 -1.26 -4.90 116.55 105.00 1xr2 n ASP 363 Ca 0.00 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.83 1xr2 n ASP 363 Cb 0.00 -2.77 -0.03 0.00 2.34 0.00 0.00 41.12 40.66 1xr2 n ASP 363 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1xr2 n PHE 364 N -1.58 2.30 -4.07 -0.67 -0.00 -1.26 -3.26 117.46 108.93 1xr2 n PHE 364 Ca 0.00 0.32 -0.44 0.00 -0.00 0.00 0.00 57.45 57.33 1xr2 n PHE 364 Cb 0.34 -2.52 0.02 0.00 -0.00 0.00 0.00 39.48 37.31 1xr2 n PHE 364 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xr2 n ALA 365 N 2.78 -2.47 -2.98 3.13 0.00 -1.26 -4.80 120.51 114.90 1xr2 n ALA 365 Ca 0.14 -0.55 -0.33 0.00 0.00 0.00 0.00 53.44 52.70 1xr2 n ALA 365 Cb 0.31 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 17.29 1xr2 n ALA 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1xr2 s VAL 366 N -3.67 3.08 -0.60 0.00 -7.23 -1.20 -2.36 120.40 108.42 1xr2 s VAL 366 Ca 0.45 -0.66 -0.10 0.00 -1.81 0.00 0.00 61.98 59.86 1xr2 s VAL 366 Cb -0.25 -2.28 0.15 0.00 0.56 0.00 0.00 36.38 34.56 1xr2 s VAL 366 CO 0.89 0.53 0.49 -0.62 -0.31 0.00 0.00 175.10 176.09 1xr2 s ASP 367 N 0.18 5.95 0.19 4.85 -1.08 -1.26 -4.95 116.67 120.55 1xr2 s ASP 367 Ca -0.07 -2.27 -0.16 0.00 -0.52 0.00 0.00 52.55 49.52 1xr2 s ASP 367 Cb -0.15 -2.06 0.17 0.00 -1.46 0.00 0.00 42.92 39.42 1xr2 s ASP 367 CO 0.05 -0.63 1.63 0.17 0.52 0.00 0.00 175.17 176.92 1xr2 h LEU 368 N 8.07 -0.61 0.13 -1.34 8.10 -1.98 0.46 115.31 128.13 1xr2 h LEU 368 Ca -0.11 0.17 0.01 0.00 0.11 0.00 0.00 57.88 58.07 1xr2 h LEU 368 Cb 1.05 0.37 -0.03 0.00 -0.44 0.00 0.00 40.66 41.61 1xr2 h LEU 368 CO 0.83 -0.21 -0.22 0.06 -4.11 0.00 0.00 178.44 174.79 1xr2 h GLN 369 N -0.05 -0.41 -0.73 0.17 -0.00 -1.99 -1.10 115.11 111.01 1xr2 h GLN 369 Ca 0.25 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1xr2 h GLN 369 Cb 0.43 0.09 -0.04 0.00 -0.00 0.00 0.00 27.48 27.97 1xr2 h GLN 369 CO -0.57 -0.27 0.44 0.00 -0.00 0.00 0.00 178.83 178.43 1xr2 h ALA 370 N 0.35 0.93 -0.28 0.06 0.00 -1.85 0.32 119.26 118.79 1xr2 h ALA 370 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xr2 h ALA 370 Cb 0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xr2 h ALA 370 CO -0.11 0.40 0.10 -0.39 0.00 0.00 0.00 179.25 179.26 1xr2 h VAL 371 N 1.00 1.18 -0.54 0.00 -1.51 -0.75 -0.79 116.25 114.85 1xr2 h VAL 371 Ca 0.26 -0.57 -0.12 0.00 -1.23 0.00 0.00 66.70 65.05 1xr2 h VAL 371 Cb -0.03 1.04 -0.02 0.00 -2.13 0.00 0.00 31.29 30.15 1xr2 h VAL 371 CO -0.05 0.19 -0.11 1.05 -1.23 0.00 0.00 177.57 177.42 1xr2 h GLU 372 N 0.30 1.03 -0.86 5.19 4.11 -1.04 -0.99 114.58 122.31 1xr2 h GLU 372 Ca 0.09 -0.38 0.09 0.00 0.07 0.00 0.00 59.36 59.23 1xr2 h GLU 372 Cb 0.20 -0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1xr2 h GLU 372 CO -0.01 1.07 0.52 0.07 0.07 0.00 0.00 179.01 180.73 1xr2 h ARG 373 N 0.92 0.85 -0.02 1.06 -0.00 -0.02 -0.25 114.38 116.91 1xr2 h ARG 373 Ca 0.14 -0.05 -0.22 0.00 -0.00 0.00 0.00 59.98 59.85 1xr2 h ARG 373 Cb 0.68 -0.19 0.00 0.00 -0.00 0.00 0.00 29.97 30.46 1xr2 h ARG 373 CO 0.05 0.56 -0.90 -0.39 -0.00 0.00 0.00 179.97 179.29 1xr2 h VAL 374 N 0.88 1.38 -0.77 0.08 -1.51 -0.91 -3.28 116.25 112.12 1xr2 h VAL 374 Ca 0.41 -2.35 -0.01 0.00 -1.23 0.00 0.00 66.70 63.52 1xr2 h VAL 374 Cb 0.33 2.33 -0.04 0.00 -2.13 0.00 0.00 31.29 31.79 1xr2 h VAL 374 CO -0.23 0.71 0.44 0.03 -1.23 0.00 0.00 177.57 177.29 1xr2 h ARG 375 N 0.27 1.07 -5.27 5.19 -0.00 -0.04 -3.48 114.38 112.12 1xr2 h ARG 375 Ca -0.07 -0.11 -0.62 0.00 -0.50 0.00 0.00 59.98 58.68 1xr2 h ARG 375 Cb 1.53 -0.21 -0.13 0.00 0.00 0.00 0.00 29.97 31.15 1xr2 h ARG 375 CO 0.16 0.78 -0.23 0.54 0.00 0.00 0.00 179.97 181.22 1xr2 s ASN 376 N -6.06 6.33 -0.29 7.04 2.20 -0.22 -5.09 114.94 118.85 1xr2 s ASN 376 Ca -0.13 0.38 -0.14 0.00 -0.94 0.00 0.00 52.86 52.03 1xr2 s ASN 376 Cb 0.15 -2.21 0.12 0.00 -2.00 0.00 0.00 41.25 37.31 1xr2 s ASN 376 CO 0.80 -0.12 0.79 -2.16 -2.94 0.00 0.00 177.10 173.47 1xr2 s PRO 378 N 1.68 0.53 0.31 3.55 0.04 -1.26 -4.86 135.00 135.00 1xr2 s PRO 378 Ca 0.16 1.09 0.08 0.00 0.04 0.00 0.00 61.00 62.38 1xr2 s PRO 378 Cb -0.15 0.39 0.89 0.00 0.04 0.00 0.00 34.50 35.67 1xr2 s PRO 378 CO 0.09 -0.14 1.66 1.05 0.04 0.00 0.00 177.00 179.70 1xr2 h GLU 379 N 7.18 0.29 0.00 4.56 9.09 -2.01 0.38 114.58 134.07 1xr2 h GLU 379 Ca -0.24 -0.02 0.00 0.00 0.05 0.00 0.00 59.36 59.16 1xr2 h GLU 379 Cb 1.16 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 1xr2 h GLU 379 CO 0.14 0.20 0.16 -0.25 0.05 0.00 0.00 179.01 179.30 1xr2 n ASP 380 N -5.11 0.33 0.22 3.06 9.92 -1.26 0.01 116.55 123.73 1xr2 n ASP 380 Ca 0.26 0.59 0.11 0.00 -0.53 0.00 0.00 54.79 55.22 1xr2 n ASP 380 Cb 0.81 -0.59 0.41 0.00 -0.64 0.00 0.00 41.12 41.12 1xr2 n ASP 380 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 1xr2 h SER 381 N 0.00 0.00 -0.14 -2.24 0.87 -0.67 -2.93 113.55 108.44 1xr2 h SER 381 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1xr2 h SER 381 Cb 0.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.27 1xr2 h SER 381 CO 0.00 0.17 0.00 0.49 -0.53 0.00 0.00 176.83 176.96 1xr2 n PHE 382 N -3.25 0.15 -4.00 2.24 3.72 0.10 -4.33 117.46 112.10 1xr2 n PHE 382 Ca 0.01 -0.08 -0.22 0.00 -0.05 0.00 0.00 57.45 57.11 1xr2 n PHE 382 Cb 0.45 -0.00 -0.17 0.00 -0.94 0.00 0.00 39.48 38.83 1xr2 n PHE 382 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1xr2 s ARG 383 N -1.74 0.81 0.39 -1.08 1.81 -1.11 -4.70 118.95 113.33 1xr2 s ARG 383 Ca 0.30 -0.04 -0.26 0.00 -1.72 0.00 0.00 55.73 54.00 1xr2 s ARG 383 Cb 0.20 -0.95 -0.09 0.00 -0.45 0.00 0.00 34.95 33.66 1xr2 s ARG 383 CO 0.29 -0.18 1.28 1.03 -0.68 0.00 0.00 175.30 177.04 1xr2 s ARG 384 N 1.37 4.06 0.30 3.54 0.52 -1.26 -4.81 118.95 122.67 1xr2 s ARG 384 Ca -0.04 2.12 0.02 0.00 -0.52 0.00 0.00 55.73 57.31 1xr2 s ARG 384 Cb -0.13 -2.81 0.74 0.00 0.52 0.00 0.00 34.95 33.27 1xr2 s ARG 384 CO -0.03 -0.40 1.60 1.05 0.02 0.00 0.00 175.30 177.54 1xr2 h GLU 385 N 2.81 0.08 -6.44 3.54 -0.00 -1.90 -3.41 114.58 109.26 1xr2 h GLU 385 Ca -0.49 -0.00 -0.61 0.00 -0.00 0.00 0.00 59.36 58.25 1xr2 h GLU 385 Cb 1.24 -0.02 -0.20 0.00 -0.00 0.00 0.00 28.75 29.78 1xr2 h GLU 385 CO 0.63 0.05 -0.82 0.15 -0.00 0.00 0.00 179.01 179.02 1xr2 s LYS 386 N -5.97 1.37 0.85 1.06 1.02 -1.26 -5.12 119.74 111.69 1xr2 s LYS 386 Ca -0.12 -1.40 -0.11 0.00 0.02 0.00 0.00 55.97 54.35 1xr2 s LYS 386 Cb 0.28 -1.66 0.10 0.00 -0.52 0.00 0.00 37.83 36.03 1xr2 s LYS 386 CO 0.77 0.37 1.09 -1.83 -0.92 0.00 0.00 175.35 174.83 1xr2 s GLU 387 N -2.44 1.65 0.16 1.68 -1.05 -1.26 -4.74 118.70 112.71 1xr2 s GLU 387 Ca 0.16 0.80 -0.24 0.00 -0.15 0.00 0.00 54.97 55.53 1xr2 s GLU 387 Cb -0.08 -1.86 0.04 0.00 -0.44 0.00 0.00 34.13 31.79 1xr2 s GLU 387 CO 0.07 -1.96 1.59 -0.92 0.95 0.00 0.00 175.26 174.99 1xr2 h TYR 388 N -1.34 -0.98 -0.95 4.83 3.20 -1.97 -1.50 116.97 118.25 1xr2 h TYR 388 Ca -0.48 0.06 0.20 0.00 3.14 0.00 0.00 58.73 61.65 1xr2 h TYR 388 Cb 1.27 0.48 -0.11 0.00 1.54 0.00 0.00 36.73 39.91 1xr2 h TYR 388 CO 0.46 -0.40 0.52 1.79 -1.64 0.00 0.00 178.16 178.88 1xr2 h THR 389 N -0.29 0.60 -0.20 1.81 1.35 -1.97 0.89 112.91 115.10 1xr2 h THR 389 Ca 0.15 -0.20 -0.11 0.00 -0.55 0.00 0.00 66.41 65.70 1xr2 h THR 389 Cb 0.55 -0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1xr2 h THR 389 CO -0.52 0.11 -0.31 -0.08 -0.25 0.00 0.00 175.52 174.46 1xr2 h GLU 390 N 0.59 0.57 -0.59 4.72 4.22 -1.75 -3.03 114.58 119.31 1xr2 h GLU 390 Ca 0.57 -0.34 -0.06 0.00 0.08 0.00 0.00 59.36 59.61 1xr2 h GLU 390 Cb 0.98 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1xr2 h GLU 390 CO -0.44 0.95 0.13 0.00 -2.18 0.00 0.00 179.01 177.46 1xr2 h ARG 391 N 0.25 0.96 -0.30 1.92 3.08 -0.08 -2.88 114.38 117.33 1xr2 h ARG 391 Ca 0.02 -0.24 0.06 0.00 0.07 0.00 0.00 59.98 59.89 1xr2 h ARG 391 Cb 0.89 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.76 1xr2 h ARG 391 CO 0.07 0.89 -0.09 0.22 -1.07 0.00 0.00 179.97 179.99 1xr2 h ASP 392 N 0.86 -0.33 0.06 7.04 -0.00 0.73 0.98 116.42 125.76 1xr2 h ASP 392 Ca 0.18 0.10 0.01 0.00 -0.00 0.00 0.00 57.03 57.32 1xr2 h ASP 392 Cb 0.38 0.21 -0.01 0.00 -0.00 0.00 0.00 39.33 39.90 1xr2 h ASP 392 CO 0.01 -0.12 -0.08 0.03 -0.00 0.00 0.00 179.24 179.08 1xr2 h ARG 393 N -0.02 -0.16 0.04 0.28 3.08 -1.46 0.11 114.38 116.24 1xr2 h ARG 393 Ca 0.15 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.23 1xr2 h ARG 393 Cb 0.25 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1xr2 h ARG 393 CO -0.33 -0.11 -0.19 0.82 -1.07 0.00 0.00 179.97 179.10 1xr2 h ILE 394 N -0.16 0.56 -0.59 2.04 1.08 -1.24 -1.51 117.51 117.69 1xr2 h ILE 394 Ca 0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1xr2 h ILE 394 Cb 0.17 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.45 1xr2 h ILE 394 CO -0.04 0.00 0.37 1.56 -0.69 0.00 0.00 178.15 179.35 1xr2 h GLN 395 N -0.32 0.70 -0.21 2.37 4.20 -0.66 -1.28 115.11 119.91 1xr2 h GLN 395 Ca 0.05 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 1xr2 h GLN 395 Cb 0.38 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1xr2 h GLN 395 CO -0.15 0.47 -0.22 0.00 -0.67 0.00 0.00 178.83 178.26 1xr2 h ARG 396 N 0.73 0.38 0.00 1.46 3.08 -0.58 -0.28 114.38 119.16 1xr2 h ARG 396 Ca 0.23 -0.13 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 1xr2 h ARG 396 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1xr2 h ARG 396 CO -0.09 0.58 -0.60 0.93 -1.07 0.00 0.00 179.97 179.72 1xr2 h GLU 397 N 0.34 0.00 0.00 0.04 5.08 -0.93 -0.43 114.58 118.68 1xr2 h GLU 397 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1xr2 h GLU 397 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1xr2 h GLU 397 CO 0.04 0.60 -0.88 -0.09 -1.00 0.00 0.00 179.01 177.68 1xr2 h ARG 398 N 0.00 0.00 0.00 2.33 1.12 -0.76 -3.37 114.38 113.70 1xr2 h ARG 398 Ca -0.01 0.00 -0.37 0.00 -1.11 0.00 0.00 59.98 58.49 1xr2 h ARG 398 Cb 1.17 0.00 -0.07 0.00 -0.01 0.00 0.00 29.97 31.06 1xr2 h ARG 398 CO 0.08 0.37 -2.37 1.28 -3.11 0.00 0.00 179.97 176.22 1xr2 n LEU 399 N -3.05 0.83 -3.53 3.80 4.32 -0.16 -5.03 117.00 114.17 1xr2 n LEU 399 Ca -0.03 -0.01 -0.18 0.00 -0.02 0.00 0.00 56.01 55.77 1xr2 n LEU 399 Cb 0.76 0.11 0.01 0.00 -1.62 0.00 0.00 43.42 42.67 1xr2 n LEU 399 CO 0.41 0.61 -0.01 0.59 -1.22 0.00 0.00 177.39 177.77 1xr2 n ASN 400 N -2.90 -5.93 -4.83 -1.43 3.02 -0.17 -4.97 115.26 98.04 1xr2 n ASN 400 Ca -0.35 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.18 1xr2 n ASN 400 Cb 1.11 -3.24 -0.06 0.00 -0.61 0.00 0.00 39.78 36.98 1xr2 n ASN 400 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xr2 s LEU 401 N -4.99 4.07 0.73 3.41 1.43 -1.26 -5.11 118.68 116.95 1xr2 s LEU 401 Ca 0.11 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1xr2 s LEU 401 Cb -0.04 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.80 1xr2 s LEU 401 CO 0.84 0.26 1.08 -2.16 0.23 0.00 0.00 176.35 176.60 1xr2 s PRO 402 N -1.84 2.65 0.47 1.29 0.04 -1.26 -4.98 135.00 131.36 1xr2 s PRO 402 Ca 0.25 0.77 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1xr2 s PRO 402 Cb -0.12 -1.97 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1xr2 s PRO 402 CO 0.16 -1.26 1.17 -0.11 0.04 0.00 0.00 177.00 177.00 1xr2 n LEU 403 N -3.21 3.83 -3.62 -3.56 0.00 -1.26 -2.98 117.00 106.20 1xr2 n LEU 403 Ca 0.07 1.02 -0.27 0.00 0.00 0.00 0.00 56.01 56.83 1xr2 n LEU 403 Cb 0.55 -1.46 0.04 0.00 0.00 0.00 0.00 43.42 42.55 1xr2 n LEU 403 CO 0.56 -1.05 -0.05 0.49 0.00 0.00 0.00 177.39 177.35 1xr2 n PHE 404 N -0.66 -2.04 -1.79 1.96 3.72 -1.25 -4.93 117.46 112.46 1xr2 n PHE 404 Ca 0.09 0.57 -0.33 0.00 -0.05 0.00 0.00 57.45 57.72 1xr2 n PHE 404 Cb 0.41 -3.44 0.04 0.00 -0.94 0.00 0.00 39.48 35.56 1xr2 n PHE 404 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1xr2 s PRO 405 N -5.53 2.84 0.13 -1.08 0.04 -1.16 -4.65 135.00 125.59 1xr2 s PRO 405 Ca 0.38 1.41 0.08 0.00 0.04 0.00 0.00 61.00 62.90 1xr2 s PRO 405 Cb -0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1xr2 s PRO 405 CO 0.85 -1.22 -0.11 0.95 0.04 0.00 0.00 177.00 177.51 1xr2 s THR 406 N -2.30 3.25 0.22 1.26 -4.23 -1.26 -0.52 115.64 112.06 1xr2 s THR 406 Ca 0.67 -1.41 -0.18 0.00 -1.18 0.00 0.00 61.69 59.59 1xr2 s THR 406 Cb -0.21 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.15 1xr2 s THR 406 CO 0.40 0.05 0.87 1.07 -0.54 0.00 0.00 174.62 176.47 1xr2 n THR 407 N 0.52 0.00 -4.27 3.99 5.66 -0.86 -2.01 114.28 117.31 1xr2 n THR 407 Ca -0.13 -0.62 -0.18 0.00 -3.05 0.00 0.00 64.05 60.07 1xr2 n THR 407 Cb 0.53 0.76 -0.11 0.00 -1.55 0.00 0.00 70.33 69.96 1xr2 n THR 407 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1xr2 s THR 408 N -2.13 1.45 -0.32 1.09 -4.23 -1.26 -4.21 115.64 106.02 1xr2 s THR 408 Ca 0.19 -1.85 0.12 0.00 -1.18 0.00 0.00 61.69 58.97 1xr2 s THR 408 Cb -0.03 -1.68 0.46 0.00 1.34 0.00 0.00 72.50 72.59 1xr2 s THR 408 CO 0.07 -0.46 1.11 2.30 -0.54 0.00 0.00 174.62 177.10 1xr2 n ILE 409 N 0.30 1.92 -3.30 2.99 -6.64 -1.26 -4.87 119.36 108.50 1xr2 n ILE 409 Ca -0.14 -3.87 0.00 0.00 -1.77 0.00 0.00 62.75 56.98 1xr2 n ILE 409 Cb 0.58 -0.25 0.00 0.00 -1.44 0.00 0.00 39.64 38.53 1xr2 n ILE 409 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1xr2 n GLY 410 N -0.52 1.05 3.83 3.28 0.00 -1.26 -4.54 105.19 107.03 1xr2 n GLY 410 Ca 0.28 -0.76 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1xr2 n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xr2 s SER 411 N 0.28 6.87 0.51 1.61 0.01 -1.26 -4.75 113.70 116.96 1xr2 s SER 411 Ca 0.00 1.59 -0.02 0.00 1.31 0.00 0.00 55.95 58.83 1xr2 s SER 411 Cb 0.00 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.73 1xr2 s SER 411 CO 0.00 -0.36 0.77 -0.36 0.41 0.00 0.00 173.24 173.70 1xr2 s PHE 412 N -2.20 3.24 0.72 2.43 2.99 -0.64 -1.49 117.98 123.03 1xr2 s PHE 412 Ca 0.60 0.42 -0.16 0.00 0.00 0.00 0.00 56.93 57.79 1xr2 s PHE 412 Cb -0.09 -2.49 -0.00 0.00 0.00 0.00 0.00 43.02 40.43 1xr2 s PHE 412 CO 0.16 -0.55 0.92 -2.30 -0.00 0.00 0.00 175.22 173.45 1xr2 n PRO 413 N -2.30 0.50 -4.03 0.24 -0.02 -1.22 -4.21 135.00 123.97 1xr2 n PRO 413 Ca 0.03 0.22 -0.32 0.00 -2.02 0.00 0.00 63.50 61.42 1xr2 n PRO 413 Cb 0.58 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 1xr2 n PRO 413 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1xr2 s GLN 414 N -3.25 1.73 0.91 -0.52 -0.21 -1.26 -4.98 119.66 112.08 1xr2 s GLN 414 Ca 0.73 -1.72 -0.10 0.00 0.02 0.00 0.00 55.36 54.28 1xr2 s GLN 414 Cb -0.35 -3.13 0.14 0.00 1.00 0.00 0.00 33.01 30.68 1xr2 s GLN 414 CO 0.51 -0.83 1.13 0.95 -2.12 0.00 0.00 175.29 174.93 1xr2 s THR 415 N 0.97 2.20 0.30 -0.19 -4.23 -1.26 -4.63 115.64 108.81 1xr2 s THR 415 Ca 0.05 0.07 0.04 0.00 -1.18 0.00 0.00 61.69 60.67 1xr2 s THR 415 Cb -0.19 -2.15 0.30 0.00 1.34 0.00 0.00 72.50 71.80 1xr2 s THR 415 CO -0.07 -0.09 1.81 -0.65 -0.54 0.00 0.00 174.62 175.08 1xr2 h PRO 416 N -1.84 0.83 -0.68 3.99 0.11 -1.99 0.14 132.00 132.56 1xr2 h PRO 416 Ca -0.44 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1xr2 h PRO 416 Cb 1.27 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1xr2 h PRO 416 CO 0.43 0.55 0.37 0.93 -0.21 0.00 0.00 178.00 180.08 1xr2 h GLU 417 N 0.86 0.93 0.13 1.05 3.07 -1.98 0.61 114.58 119.25 1xr2 h GLU 417 Ca 0.53 -0.10 -0.01 0.00 -0.50 0.00 0.00 59.36 59.29 1xr2 h GLU 417 Cb 0.71 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 1xr2 h GLU 417 CO -0.31 0.68 -0.06 0.28 -1.40 0.00 0.00 179.01 178.19 1xr2 h VAL 418 N 0.94 1.04 -0.51 3.13 2.07 -1.14 0.11 116.25 121.89 1xr2 h VAL 418 Ca 0.24 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1xr2 h VAL 418 Cb 0.02 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1xr2 h VAL 418 CO -0.04 0.19 0.30 0.03 0.02 0.00 0.00 177.57 178.07 1xr2 h ARG 419 N -0.58 0.58 -0.39 1.57 3.08 -0.71 -1.85 114.38 116.09 1xr2 h ARG 419 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1xr2 h ARG 419 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 1xr2 h ARG 419 CO 0.03 0.38 0.12 1.57 -1.07 0.00 0.00 179.97 181.00 1xr2 h LYS 420 N 0.60 0.60 -0.58 0.04 2.10 0.22 -2.58 116.57 116.96 1xr2 h LYS 420 Ca 0.21 -0.13 0.09 0.00 -2.00 0.00 0.00 60.65 58.82 1xr2 h LYS 420 Cb 0.03 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.24 1xr2 h LYS 420 CO -0.10 0.60 0.39 0.00 -2.00 0.00 0.00 179.45 178.35 1xr2 h MET 421 N 0.48 0.38 -0.21 0.07 -0.00 -0.37 0.01 114.93 115.29 1xr2 h MET 421 Ca 0.12 -0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.78 1xr2 h MET 421 Cb 0.25 -0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 31.76 1xr2 h MET 421 CO -0.00 0.25 0.05 0.00 -0.00 0.00 0.00 176.91 177.20 1xr2 h ARG 422 N 0.39 0.34 0.04 -0.10 -0.00 -0.94 -3.29 114.38 110.81 1xr2 h ARG 422 Ca 0.26 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1xr2 h ARG 422 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.45 1xr2 h ARG 422 CO -0.07 0.47 -0.02 0.66 0.00 0.00 0.00 179.97 181.01 1xr2 h SER 423 N 0.15 -0.04 0.00 7.04 4.64 -1.28 -3.52 113.55 120.54 1xr2 h SER 423 Ca 0.07 -0.59 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1xr2 h SER 423 Cb 0.28 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1xr2 h SER 423 CO 0.00 0.60 0.00 1.17 -0.87 0.00 0.00 176.83 177.73 1xr2 n LYS 424 N -4.81 2.91 0.00 4.77 4.81 -0.07 -5.13 118.16 120.64 1xr2 n LYS 424 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1xr2 n LYS 424 Cb 0.31 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.36 1xr2 n LYS 424 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1xr2 n ILE 430 N 0.00 0.00 -3.20 3.15 -0.00 -1.26 -5.08 119.36 112.98 1xr2 n ILE 430 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 62.75 62.36 1xr2 n ILE 430 Cb 0.00 1.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.58 1xr2 n ILE 430 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1xr2 s SER 431 N 0.00 6.69 0.46 7.28 0.15 -1.26 -4.93 113.70 122.09 1xr2 s SER 431 Ca 0.00 0.83 0.17 0.00 0.70 0.00 0.00 55.95 57.65 1xr2 s SER 431 Cb 0.00 -2.32 0.91 0.00 -1.71 0.00 0.00 66.02 62.89 1xr2 s SER 431 CO 0.00 -0.15 1.44 0.07 1.20 0.00 0.00 173.24 175.80 1xr2 h LYS 432 N 7.18 0.00 0.03 5.44 5.09 -2.01 0.54 116.57 132.84 1xr2 h LYS 432 Ca -0.36 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.03 1xr2 h LYS 432 Cb 1.16 0.00 -0.05 0.00 0.10 0.00 0.00 32.23 33.44 1xr2 h LYS 432 CO 0.76 0.00 -2.14 0.39 -2.09 0.00 0.00 179.45 176.37 1xr2 n GLU 433 N -2.33 0.68 0.07 0.07 -0.58 -1.26 -3.20 120.64 114.09 1xr2 n GLU 433 Ca -0.01 0.17 -0.03 0.00 -0.42 0.00 0.00 57.16 56.86 1xr2 n GLU 433 Cb 0.42 -1.64 0.19 0.00 -0.57 0.00 0.00 31.44 29.84 1xr2 n GLU 433 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1xr2 h GLU 434 N 0.02 0.30 0.17 3.49 4.39 -0.38 -0.92 114.58 121.65 1xr2 h GLU 434 Ca -0.46 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.09 1xr2 h GLU 434 Cb 2.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.72 1xr2 h GLU 434 CO 0.03 0.68 -0.08 -0.92 -1.16 0.00 0.00 179.01 177.56 1xr2 h TYR 435 N 0.24 -0.22 -0.41 4.33 -0.00 -1.27 -0.50 116.97 119.14 1xr2 h TYR 435 Ca 0.02 -0.01 0.12 0.00 -0.00 0.00 0.00 58.73 58.86 1xr2 h TYR 435 Cb 0.87 0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 37.66 1xr2 h TYR 435 CO 0.02 0.15 0.38 0.93 -0.00 0.00 0.00 178.16 179.64 1xr2 h GLU 436 N -0.95 0.00 0.10 1.82 5.08 -1.57 0.58 114.58 119.64 1xr2 h GLU 436 Ca -0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.07 1xr2 h GLU 436 Cb 0.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xr2 h GLU 436 CO 0.04 0.00 -1.24 0.00 -1.00 0.00 0.00 179.01 176.81 1xr2 h ALA 437 N 1.63 0.19 -0.24 3.43 0.00 -1.12 -3.02 119.26 120.12 1xr2 h ALA 437 Ca 0.20 -0.93 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1xr2 h ALA 437 Cb 0.96 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1xr2 h ALA 437 CO -0.00 1.07 -0.43 0.35 0.00 0.00 0.00 179.25 180.24 1xr2 h PHE 438 N 0.06 0.70 0.44 0.00 3.04 0.17 -2.55 116.94 118.81 1xr2 h PHE 438 Ca -0.12 -0.21 -0.02 0.00 3.98 0.00 0.00 57.97 61.59 1xr2 h PHE 438 Cb 1.94 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 40.30 1xr2 h PHE 438 CO 0.05 0.91 -0.21 0.82 -2.02 0.00 0.00 178.31 177.86 1xr2 h ILE 439 N 0.48 0.54 -0.72 1.41 1.08 -0.84 -2.11 117.51 117.35 1xr2 h ILE 439 Ca 0.04 -0.32 0.17 0.00 -0.39 0.00 0.00 64.86 64.36 1xr2 h ILE 439 Cb 0.94 0.68 -0.04 0.00 -3.07 0.00 0.00 36.82 35.33 1xr2 h ILE 439 CO 0.08 0.05 0.50 0.11 -0.69 0.00 0.00 178.15 178.20 1xr2 h LYS 440 N -0.79 0.22 -0.23 2.37 1.57 -1.51 0.49 116.57 118.70 1xr2 h LYS 440 Ca -0.06 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1xr2 h LYS 440 Cb 0.54 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1xr2 h LYS 440 CO 0.10 0.15 -0.52 0.93 -0.57 0.00 0.00 179.45 179.54 1xr2 h GLU 441 N 0.23 0.64 -0.15 3.15 4.39 -1.31 0.56 114.58 122.10 1xr2 h GLU 441 Ca 0.35 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1xr2 h GLU 441 Cb 1.06 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1xr2 h GLU 441 CO -0.07 1.00 -0.03 1.96 -1.16 0.00 0.00 179.01 180.71 1xr2 h GLN 442 N 0.50 0.28 -0.53 2.33 1.08 0.47 -2.30 115.11 116.94 1xr2 h GLN 442 Ca 0.02 -0.10 0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1xr2 h GLN 442 Cb 1.07 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.46 1xr2 h GLN 442 CO 0.10 0.55 0.35 0.82 -0.95 0.00 0.00 178.83 179.70 1xr2 h ILE 443 N -0.01 1.13 -0.41 2.54 2.04 -0.32 -0.81 117.51 121.68 1xr2 h ILE 443 Ca 0.04 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.73 1xr2 h ILE 443 Cb 0.44 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1xr2 h ILE 443 CO 0.01 0.13 0.01 0.11 0.00 0.00 0.00 178.15 178.42 1xr2 h LYS 444 N 0.71 0.12 -0.52 2.37 1.57 -0.79 -0.87 116.57 119.16 1xr2 h LYS 444 Ca 0.19 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1xr2 h LYS 444 Cb -0.08 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1xr2 h LYS 444 CO -0.04 0.08 0.09 1.57 -0.57 0.00 0.00 179.45 180.57 1xr2 h LYS 445 N 0.12 0.82 0.08 3.15 -0.00 -1.04 -2.76 116.57 116.95 1xr2 h LYS 445 Ca 0.20 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.67 1xr2 h LYS 445 Cb 0.28 -0.11 -0.01 0.00 -0.00 0.00 0.00 32.23 32.39 1xr2 h LYS 445 CO -0.32 0.77 -0.08 0.00 -0.00 0.00 0.00 179.45 179.82 1xr2 h ALA 446 N 1.31 -0.15 -0.26 0.07 0.00 0.13 -1.57 119.26 118.80 1xr2 h ALA 446 Ca 0.17 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xr2 h ALA 446 Cb 0.35 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1xr2 h ALA 446 CO 0.01 -0.60 -0.01 0.82 0.00 0.00 0.00 179.25 179.47 1xr2 h ILE 447 N -0.18 0.81 -0.99 0.00 1.08 -1.09 -2.09 117.51 115.06 1xr2 h ILE 447 Ca 0.00 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.51 1xr2 h ILE 447 Cb 0.17 0.73 -0.06 0.00 -3.07 0.00 0.00 36.82 34.59 1xr2 h ILE 447 CO -0.02 0.01 0.64 -0.33 -0.69 0.00 0.00 178.15 177.76 1xr2 h GLU 448 N 0.07 1.15 -0.50 2.37 3.07 -1.29 -0.94 114.58 118.50 1xr2 h GLU 448 Ca 0.12 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.82 1xr2 h GLU 448 Cb 0.16 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.79 1xr2 h GLU 448 CO -0.21 0.76 -0.04 1.25 -1.40 0.00 0.00 179.01 179.37 1xr2 h LEU 449 N 1.19 0.85 -0.42 1.33 5.85 -0.86 -1.49 115.31 121.75 1xr2 h LEU 449 Ca 0.41 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.75 1xr2 h LEU 449 Cb 0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1xr2 h LEU 449 CO -0.16 0.93 -0.36 1.56 -0.34 0.00 0.00 178.44 180.07 1xr2 h GLN 450 N 0.80 0.94 -0.50 1.25 4.20 -0.70 -2.05 115.11 119.03 1xr2 h GLN 450 Ca 0.14 -0.48 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 1xr2 h GLN 450 Cb 0.53 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 1xr2 h GLN 450 CO 0.03 1.14 0.17 0.93 -0.67 0.00 0.00 178.83 180.43 1xr2 h GLU 451 N 0.77 0.77 -0.80 1.46 5.08 -1.05 -1.52 114.58 119.30 1xr2 h GLU 451 Ca 0.07 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 1xr2 h GLU 451 Cb 0.95 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.05 1xr2 h GLU 451 CO 0.09 0.71 0.37 1.05 -1.00 0.00 0.00 179.01 180.23 1xr2 h GLU 452 N 0.68 1.15 0.00 2.33 9.09 -1.14 -2.63 114.58 124.06 1xr2 h GLU 452 Ca 0.16 -0.17 -0.14 0.00 0.05 0.00 0.00 59.36 59.26 1xr2 h GLU 452 Cb 0.25 -0.21 -0.02 0.00 -1.65 0.00 0.00 28.75 27.12 1xr2 h GLU 452 CO -0.01 0.90 -0.66 0.82 0.05 0.00 0.00 179.01 180.11 1xr2 h ILE 453 N 1.14 1.39 0.00 -1.06 2.04 -1.21 -3.48 117.51 116.33 1xr2 h ILE 453 Ca 0.27 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 63.80 1xr2 h ILE 453 Cb 0.13 2.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1xr2 h ILE 453 CO -0.03 0.65 0.00 0.61 0.00 0.00 0.00 178.15 179.38 1xr2 n GLY 454 N 0.55 1.94 3.80 5.37 0.00 -0.63 -4.86 105.19 111.36 1xr2 n GLY 454 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1xr2 n GLY 454 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xr2 s LEU 455 N 0.00 3.68 -0.17 0.99 1.43 -0.87 -4.93 118.68 118.82 1xr2 s LEU 455 Ca 0.00 1.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.97 1xr2 s LEU 455 Cb 0.00 -4.55 -0.23 0.00 0.03 0.00 0.00 46.19 41.45 1xr2 s LEU 455 CO 0.00 -0.96 0.16 0.47 0.23 0.00 0.00 176.35 176.24 1xr2 n ASP 456 N -1.46 1.90 -4.28 2.29 10.43 -0.86 -4.82 116.55 119.77 1xr2 n ASP 456 Ca 0.09 0.09 -0.32 0.00 2.57 0.00 0.00 54.79 57.22 1xr2 n ASP 456 Cb 0.53 -0.57 -0.16 0.00 1.84 0.00 0.00 41.12 42.75 1xr2 n ASP 456 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1xr2 s VAL 457 N -2.54 2.12 0.33 2.53 1.01 -0.85 -4.41 120.40 118.59 1xr2 s VAL 457 Ca -0.25 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 60.77 1xr2 s VAL 457 Cb 0.08 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1xr2 s VAL 457 CO 0.71 0.57 0.11 -0.76 0.00 0.00 0.00 175.10 175.73 1xr2 s LEU 458 N -0.14 3.22 0.07 3.92 1.43 -0.25 -4.31 118.68 122.63 1xr2 s LEU 458 Ca -0.04 -0.78 0.06 0.00 -1.03 0.00 0.00 54.13 52.34 1xr2 s LEU 458 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1xr2 s LEU 458 CO 0.04 -0.25 -0.16 0.68 0.23 0.00 0.00 176.35 176.89 1xr2 s VAL 459 N -2.42 1.31 -2.00 -1.59 -7.23 -1.26 -1.48 120.40 105.73 1xr2 s VAL 459 Ca 0.36 -1.33 0.13 0.00 -1.81 0.00 0.00 61.98 59.33 1xr2 s VAL 459 Cb -0.03 -1.22 0.38 0.00 0.56 0.00 0.00 36.38 36.07 1xr2 s VAL 459 CO 0.22 -0.13 1.48 0.00 -0.31 0.00 0.00 175.10 176.36 1xr2 n HIS 460 N 1.33 0.00 0.00 2.82 1.44 -1.26 -4.77 115.22 114.77 1xr2 n HIS 460 Ca -0.20 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.51 1xr2 n HIS 460 Cb 0.54 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.65 1xr2 n HIS 460 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1xr2 n GLY 461 N 0.67 2.47 2.69 -1.39 0.00 -1.26 -4.52 105.19 103.85 1xr2 n GLY 461 Ca 0.10 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1xr2 n GLY 461 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xr2 n GLU 462 N 0.00 -3.49 0.19 1.61 1.02 -1.26 -1.62 120.64 117.09 1xr2 n GLU 462 Ca 0.00 0.76 0.14 0.00 -0.02 0.00 0.00 57.16 58.04 1xr2 n GLU 462 Cb 0.00 -5.26 0.63 0.00 -0.02 0.00 0.00 31.44 26.78 1xr2 n GLU 462 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1xr2 h PHE 463 N -0.92 0.00 -0.10 -0.32 0.04 -1.92 -2.03 116.94 111.70 1xr2 h PHE 463 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1xr2 h PHE 463 Cb 1.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.45 1xr2 h PHE 463 CO 0.43 0.00 0.00 -0.85 -0.60 0.00 0.00 178.31 177.29 1xr2 n GLU 464 N -2.53 1.80 -5.06 1.51 0.00 -1.26 -4.87 120.64 110.22 1xr2 n GLU 464 Ca 0.01 -1.18 -0.32 0.00 0.00 0.00 0.00 57.16 55.67 1xr2 n GLU 464 Cb 0.20 -1.45 -0.15 0.00 0.00 0.00 0.00 31.44 30.05 1xr2 n GLU 464 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1xr2 s ARG 465 N -1.88 2.57 -0.09 3.44 0.52 -0.76 -5.00 118.95 117.74 1xr2 s ARG 465 Ca 0.35 -0.80 0.14 0.00 -0.52 0.00 0.00 55.73 54.91 1xr2 s ARG 465 Cb 0.20 -2.29 -0.21 0.00 0.52 0.00 0.00 34.95 33.16 1xr2 s ARG 465 CO 0.30 0.49 0.19 0.25 0.02 0.00 0.00 175.30 176.55 1xr2 n THR 466 N 2.68 0.53 -3.75 0.02 -2.24 -1.26 -4.98 114.28 105.28 1xr2 n THR 466 Ca -0.17 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 60.98 1xr2 n THR 466 Cb 0.52 -0.26 -0.11 0.00 -2.10 0.00 0.00 70.33 68.38 1xr2 n THR 466 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xr2 s ASP 467 N -4.34 -0.34 0.00 3.42 2.15 -1.26 -5.04 116.67 111.26 1xr2 s ASP 467 Ca -0.07 0.65 0.16 0.00 0.43 0.00 0.00 52.55 53.72 1xr2 s ASP 467 Cb 0.07 0.62 0.90 0.00 -0.30 0.00 0.00 42.92 44.22 1xr2 s ASP 467 CO 0.63 -0.13 1.36 1.15 -0.17 0.00 0.00 175.17 178.01 1xr2 n MET 468 N 3.28 0.44 -0.00 4.34 0.00 -1.26 -2.95 117.12 120.97 1xr2 n MET 468 Ca -0.16 0.02 -0.00 0.00 0.00 0.00 0.00 57.70 57.56 1xr2 n MET 468 Cb 0.57 -1.50 -0.00 0.00 0.00 0.00 0.00 33.22 32.28 1xr2 n MET 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1xr2 n VAL 469 N -1.05 0.03 -0.01 3.17 0.31 -1.26 -4.68 118.33 114.84 1xr2 n VAL 469 Ca 0.11 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.39 1xr2 n VAL 469 Cb 0.06 -0.66 0.19 0.00 -0.91 0.00 0.00 33.84 32.53 1xr2 n VAL 469 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1xr2 h GLU 470 N 0.00 0.55 -0.37 5.55 4.81 -1.95 -1.56 114.58 121.61 1xr2 h GLU 470 Ca -0.01 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.09 1xr2 h GLU 470 Cb 1.02 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.30 1xr2 h GLU 470 CO -0.00 0.73 -0.04 0.35 -0.73 0.00 0.00 179.01 179.32 1xr2 h PHE 471 N 0.49 -0.09 0.01 0.92 3.57 -1.82 -1.84 116.94 118.17 1xr2 h PHE 471 Ca 0.08 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.40 1xr2 h PHE 471 Cb 0.64 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1xr2 h PHE 471 CO 0.02 -0.11 -0.98 0.74 -2.23 0.00 0.00 178.31 175.76 1xr2 h PHE 472 N 0.06 0.04 -0.79 0.41 -1.00 -1.80 -3.29 116.94 110.56 1xr2 h PHE 472 Ca 0.18 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.90 1xr2 h PHE 472 Cb 0.27 -0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.79 1xr2 h PHE 472 CO -0.29 0.98 0.37 0.00 -1.61 0.00 0.00 178.31 177.76 1xr2 h ALA 473 N 1.01 1.16 0.00 2.45 0.00 -0.91 -1.48 119.26 121.49 1xr2 h ALA 473 Ca -0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1xr2 h ALA 473 Cb 1.71 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1xr2 h ALA 473 CO 0.13 0.63 -0.18 0.93 0.00 0.00 0.00 179.25 180.76 1xr2 h GLU 474 N 1.13 0.00 -0.18 0.00 5.08 -1.42 -2.47 114.58 116.73 1xr2 h GLU 474 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1xr2 h GLU 474 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1xr2 h GLU 474 CO -0.03 0.18 0.00 1.63 -1.00 0.00 0.00 179.01 179.78 1xr2 n LYS 475 N -3.78 2.29 -4.34 2.33 5.02 -0.68 -4.94 118.16 114.07 1xr2 n LYS 475 Ca -0.02 -1.91 -0.35 0.00 -2.02 0.00 0.00 58.31 54.01 1xr2 n LYS 475 Cb 0.28 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 1xr2 n LYS 475 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xr2 s LEU 476 N -1.77 3.55 0.31 -0.35 1.02 -0.64 -4.55 118.68 116.24 1xr2 s LEU 476 Ca 0.33 0.09 -0.24 0.00 0.02 0.00 0.00 54.13 54.34 1xr2 s LEU 476 Cb 0.21 -1.83 -0.10 0.00 0.02 0.00 0.00 46.19 44.50 1xr2 s LEU 476 CO 0.31 0.32 0.88 0.20 0.02 0.00 0.00 176.35 178.08 1xr2 s ASN 477 N -0.54 7.22 0.00 2.29 -0.87 0.05 -3.45 114.94 119.64 1xr2 s ASN 477 Ca 0.09 1.70 0.00 0.00 -1.57 0.00 0.00 52.86 53.08 1xr2 s ASN 477 Cb -0.12 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.58 1xr2 s ASN 477 CO 0.02 -0.07 0.00 0.61 -2.57 0.00 0.00 177.10 175.09 1xr2 n GLY 478 N 0.48 0.77 3.25 0.66 0.00 -1.25 -2.29 105.19 106.81 1xr2 n GLY 478 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1xr2 n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr2 s ILE 479 N -2.39 1.92 0.22 -0.61 1.01 -1.22 -0.70 121.20 119.43 1xr2 s ILE 479 Ca 0.00 -1.01 0.11 0.00 0.00 0.00 0.00 60.65 59.75 1xr2 s ILE 479 Cb 0.00 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.80 1xr2 s ILE 479 CO 0.00 0.54 -0.21 0.00 0.00 0.00 0.00 174.94 175.27 1xr2 s ALA 480 N -0.25 2.50 0.13 9.38 0.00 0.38 -4.88 121.76 129.01 1xr2 s ALA 480 Ca 0.00 -1.71 0.11 0.00 0.00 0.00 0.00 51.96 50.36 1xr2 s ALA 480 Cb -0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 1xr2 s ALA 480 CO 0.02 0.33 -0.27 0.95 0.00 0.00 0.00 175.76 176.79 1xr2 s THR 481 N -2.10 2.23 0.50 0.00 -4.23 -1.26 0.01 115.64 110.79 1xr2 s THR 481 Ca 0.23 -1.75 0.09 0.00 -1.18 0.00 0.00 61.69 59.08 1xr2 s THR 481 Cb -0.06 -1.97 0.05 0.00 1.34 0.00 0.00 72.50 71.85 1xr2 s THR 481 CO 0.11 0.08 0.66 0.42 -0.54 0.00 0.00 174.62 175.35 1xr2 s THR 482 N -1.06 2.48 -0.18 3.99 -4.23 -1.26 -4.88 115.64 110.49 1xr2 s THR 482 Ca 0.14 -1.05 0.11 0.00 -1.18 0.00 0.00 61.69 59.71 1xr2 s THR 482 Cb -0.10 -2.53 -0.19 0.00 1.34 0.00 0.00 72.50 71.03 1xr2 s THR 482 CO 0.06 0.00 -0.01 0.00 -0.54 0.00 0.00 174.62 174.13 1xr2 n GLN 483 N -2.03 1.07 -0.14 3.99 0.00 -1.26 -4.71 117.38 114.30 1xr2 n GLN 483 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 57.00 57.16 1xr2 n GLN 483 Cb 0.61 -1.43 0.03 0.00 0.00 0.00 0.00 30.24 29.45 1xr2 n GLN 483 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1xr2 n ASN 484 N -2.76 1.02 -2.37 2.61 3.02 -1.26 -4.93 115.26 110.60 1xr2 n ASN 484 Ca -0.30 -1.97 -0.12 0.00 -0.03 0.00 0.00 54.58 52.16 1xr2 n ASN 484 Cb 1.00 -0.15 -0.10 0.00 -0.61 0.00 0.00 39.78 39.93 1xr2 n ASN 484 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xr2 n GLY 485 N -0.45 2.58 3.76 7.41 0.00 -1.26 -4.77 105.19 112.46 1xr2 n GLY 485 Ca 0.04 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.78 1xr2 n GLY 485 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xr2 s TRP 486 N 1.91 3.58 -0.05 1.61 0.52 -1.26 -4.11 118.94 121.14 1xr2 s TRP 486 Ca 0.46 1.68 0.02 0.00 0.02 0.00 0.00 56.10 58.29 1xr2 s TRP 486 Cb 0.20 -3.29 0.01 0.00 -1.15 0.00 0.00 33.47 29.24 1xr2 s TRP 486 CO -0.01 -0.58 -0.10 0.08 0.02 0.00 0.00 176.95 176.36 1xr2 s VAL 487 N -1.05 0.96 0.13 4.03 1.01 0.14 -4.28 120.40 121.34 1xr2 s VAL 487 Ca 0.45 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.71 1xr2 s VAL 487 Cb -0.32 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 1xr2 s VAL 487 CO 0.40 0.31 1.68 -0.22 0.00 0.00 0.00 175.10 177.27 1xr2 s LEU 488 N 0.52 4.38 -0.24 3.92 0.20 -1.26 -0.50 118.68 125.69 1xr2 s LEU 488 Ca -0.10 2.65 -0.16 0.00 0.69 0.00 0.00 54.13 57.21 1xr2 s LEU 488 Cb -0.13 -3.58 -0.11 0.00 -0.43 0.00 0.00 46.19 41.94 1xr2 s LEU 488 CO 0.02 -0.91 -0.26 -0.24 -0.29 0.00 0.00 176.35 174.67 1xr2 n SER 489 N 4.90 1.93 -3.61 3.68 2.88 0.53 -4.58 113.62 119.35 1xr2 n SER 489 Ca 0.16 0.37 -0.05 0.00 -1.33 0.00 0.00 58.87 58.01 1xr2 n SER 489 Cb 0.38 -0.83 -0.04 0.00 -0.75 0.00 0.00 64.21 62.98 1xr2 n SER 489 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1xr2 s TYR 490 N -2.56 -0.16 0.00 0.66 -0.85 -1.12 -1.54 117.35 111.78 1xr2 s TYR 490 Ca -0.34 0.25 0.00 0.00 -0.52 0.00 0.00 57.07 56.46 1xr2 s TYR 490 Cb 0.11 0.48 0.00 0.00 0.38 0.00 0.00 41.96 42.93 1xr2 s TYR 490 CO 0.48 -0.17 0.00 0.41 -1.52 0.00 0.00 175.55 174.75 1xr2 n GLY 491 N 0.46 2.14 0.48 5.49 0.00 -1.26 -0.11 105.19 112.39 1xr2 n GLY 491 Ca -0.03 0.42 0.04 0.00 0.00 0.00 0.00 46.02 46.45 1xr2 n GLY 491 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xr2 n SER 492 N 7.28 2.59 -4.68 1.61 3.41 -1.26 -4.90 113.62 117.67 1xr2 n SER 492 Ca 0.00 -1.92 -0.40 0.00 -0.26 0.00 0.00 58.87 56.30 1xr2 n SER 492 Cb 0.00 -0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 63.74 1xr2 n SER 492 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xr2 s ARG 493 N -0.96 4.27 0.10 4.33 1.81 0.84 -4.84 118.95 124.50 1xr2 s ARG 493 Ca 0.17 0.65 0.10 0.00 -1.72 0.00 0.00 55.73 54.94 1xr2 s ARG 493 Cb 0.09 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 31.02 1xr2 s ARG 493 CO 0.12 -0.13 -0.27 0.00 -0.68 0.00 0.00 175.30 174.34 1xr2 s TYR 495 N -0.97 2.32 -0.59 0.00 6.14 0.35 -4.87 117.35 119.73 1xr2 s TYR 495 Ca 0.13 -0.37 -0.01 0.00 0.64 0.00 0.00 57.07 57.46 1xr2 s TYR 495 Cb -0.10 -1.22 0.15 0.00 0.42 0.00 0.00 41.96 41.21 1xr2 s TYR 495 CO 0.05 0.39 0.38 0.50 0.64 0.00 0.00 175.55 177.51 1xr2 s ARG 496 N -2.25 2.39 0.26 4.97 3.52 -1.26 0.23 118.95 126.81 1xr2 s ARG 496 Ca 0.16 -2.52 -0.31 0.00 -0.13 0.00 0.00 55.73 52.93 1xr2 s ARG 496 Cb -0.09 -3.62 -0.12 0.00 -1.56 0.00 0.00 34.95 29.56 1xr2 s ARG 496 CO 0.07 -1.15 1.66 -2.14 -0.81 0.00 0.00 175.30 172.93 1xr2 s PRO 497 N -0.07 4.12 1.06 5.12 0.02 -1.26 -4.91 135.00 139.07 1xr2 s PRO 497 Ca 0.17 2.60 -0.14 0.00 0.02 0.00 0.00 61.00 63.64 1xr2 s PRO 497 Cb -0.22 -3.04 0.22 0.00 0.02 0.00 0.00 34.50 31.48 1xr2 s PRO 497 CO -0.03 -0.69 1.10 -2.14 -0.33 0.00 0.00 177.00 174.91 1xr2 s PRO 498 N 0.23 -0.03 -0.24 5.54 0.02 -1.26 -4.68 135.00 134.57 1xr2 s PRO 498 Ca 0.68 0.33 -0.01 0.00 0.02 0.00 0.00 61.00 62.02 1xr2 s PRO 498 Cb -0.49 -1.70 0.07 0.00 0.02 0.00 0.00 34.50 32.40 1xr2 s PRO 498 CO 0.41 -3.00 0.02 0.42 -0.33 0.00 0.00 177.00 174.52 1xr2 s ILE 499 N -3.00 1.03 -0.70 2.83 1.01 0.10 -1.10 121.20 121.37 1xr2 s ILE 499 Ca 0.67 -1.07 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 1xr2 s ILE 499 Cb -0.16 -1.53 0.04 0.00 0.01 0.00 0.00 42.46 40.82 1xr2 s ILE 499 CO 0.57 -0.30 1.22 -0.63 0.00 0.00 0.00 174.94 175.80 1xr2 s ILE 500 N 1.60 3.85 -0.70 2.92 1.01 -0.47 -0.47 121.20 128.93 1xr2 s ILE 500 Ca 0.00 0.38 0.16 0.00 0.00 0.00 0.00 60.65 61.19 1xr2 s ILE 500 Cb -0.18 -4.85 -0.17 0.00 0.01 0.00 0.00 42.46 37.26 1xr2 s ILE 500 CO -0.12 -1.72 0.65 0.00 0.00 0.00 0.00 174.94 173.75 1xr2 n TYR 501 N 8.99 0.00 -3.65 3.97 4.11 0.12 -2.70 117.16 128.01 1xr2 n TYR 501 Ca 0.03 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 57.88 1xr2 n TYR 501 Cb 0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 39.34 39.80 1xr2 n TYR 501 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xr2 n GLY 502 N 1.38 2.44 3.68 -7.48 0.00 -0.73 -4.76 105.19 99.72 1xr2 n GLY 502 Ca 0.03 -1.38 -0.46 0.00 0.00 0.00 0.00 46.02 44.20 1xr2 n GLY 502 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xr2 n THR 503 N -0.23 0.23 -3.12 2.61 -1.04 -1.00 -4.67 114.28 107.07 1xr2 n THR 503 Ca -0.01 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.57 1xr2 n THR 503 Cb 0.23 -1.71 -0.05 0.00 -1.82 0.00 0.00 70.33 66.98 1xr2 n THR 503 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xr2 s VAL 504 N 2.15 4.85 0.05 12.58 1.01 -1.26 -3.86 120.40 135.92 1xr2 s VAL 504 Ca 0.84 1.39 -0.17 0.00 0.00 0.00 0.00 61.98 64.04 1xr2 s VAL 504 Cb -0.66 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 31.75 1xr2 s VAL 504 CO 0.42 0.39 0.39 0.42 0.00 0.00 0.00 175.10 176.73 1xr2 s THR 505 N -0.10 0.06 -0.41 3.92 -4.23 -0.97 -4.70 115.64 109.21 1xr2 s THR 505 Ca 0.34 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 1xr2 s THR 505 Cb -0.19 -0.95 0.08 0.00 1.34 0.00 0.00 72.50 72.78 1xr2 s THR 505 CO 0.19 -0.28 0.23 -0.60 -0.54 0.00 0.00 174.62 173.63 1xr2 s ARG 506 N -2.53 2.51 0.07 3.99 3.52 -1.26 -0.77 118.95 124.48 1xr2 s ARG 506 Ca -0.05 -1.50 0.22 0.00 -0.13 0.00 0.00 55.73 54.27 1xr2 s ARG 506 Cb -0.01 -3.71 0.90 0.00 -1.56 0.00 0.00 34.95 30.57 1xr2 s ARG 506 CO -0.03 -0.94 1.69 -0.35 -0.81 0.00 0.00 175.30 174.86 1xr2 n PRO 507 N 4.85 0.07 -3.58 5.12 -0.04 -1.26 -4.89 135.00 135.26 1xr2 n PRO 507 Ca -0.09 0.20 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 1xr2 n PRO 507 Cb 0.43 -1.60 -0.04 0.00 -0.04 0.00 0.00 33.50 32.24 1xr2 n PRO 507 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1xr2 s GLU 508 N -3.07 0.49 0.33 0.54 4.04 -1.26 -5.15 118.70 114.62 1xr2 s GLU 508 Ca 0.09 0.05 -0.26 0.00 0.04 0.00 0.00 54.97 54.90 1xr2 s GLU 508 Cb 0.13 0.23 -0.14 0.00 0.02 0.00 0.00 34.13 34.37 1xr2 s GLU 508 CO 0.41 -0.16 0.71 -0.35 -1.84 0.00 0.00 175.26 174.02 1xr2 n PRO 509 N 0.52 0.74 -0.06 -4.83 -0.04 -1.26 -4.94 135.00 125.12 1xr2 n PRO 509 Ca -0.07 0.26 -0.05 0.00 -0.04 0.00 0.00 63.50 63.61 1xr2 n PRO 509 Cb 0.58 -1.53 -0.11 0.00 -0.04 0.00 0.00 33.50 32.41 1xr2 n PRO 509 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1xr2 n MET 510 N 0.72 1.57 0.00 0.54 2.81 -1.26 -4.78 117.12 116.72 1xr2 n MET 510 Ca 0.12 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 1xr2 n MET 510 Cb 0.34 -1.35 0.00 0.00 -0.71 0.00 0.00 33.22 31.50 1xr2 n MET 510 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1xr2 n THR 511 N -2.43 0.00 -0.15 2.03 -2.24 -1.26 -4.87 114.28 105.36 1xr2 n THR 511 Ca -0.19 -0.23 -0.11 0.00 -2.27 0.00 0.00 64.05 61.25 1xr2 n THR 511 Cb 0.86 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 70.38 1xr2 n THR 511 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1xr2 h LEU 512 N 0.00 -1.58 -0.64 3.22 3.38 -1.96 -0.36 115.31 117.37 1xr2 h LEU 512 Ca 0.00 0.23 0.12 0.00 0.09 0.00 0.00 57.88 58.32 1xr2 h LEU 512 Cb 0.18 0.68 -0.12 0.00 0.09 0.00 0.00 40.66 41.48 1xr2 h LEU 512 CO 0.00 -0.37 -0.28 0.11 0.09 0.00 0.00 178.44 177.98 1xr2 h LYS 513 N -0.33 -0.10 -0.23 1.13 1.57 -1.94 0.50 116.57 117.17 1xr2 h LYS 513 Ca 0.13 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 1xr2 h LYS 513 Cb 0.58 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1xr2 h LYS 513 CO -0.61 -0.07 -0.01 0.93 -0.57 0.00 0.00 179.45 179.12 1xr2 h GLU 514 N -0.11 0.42 -0.10 3.15 3.07 -1.78 -2.17 114.58 117.06 1xr2 h GLU 514 Ca 0.27 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 1xr2 h GLU 514 Cb 0.54 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.41 1xr2 h GLU 514 CO -0.70 0.61 0.01 0.82 -1.40 0.00 0.00 179.01 178.34 1xr2 h ILE 515 N 0.18 1.24 -0.18 3.13 1.08 -0.38 -2.42 117.51 120.15 1xr2 h ILE 515 Ca 0.06 -0.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.82 1xr2 h ILE 515 Cb 0.43 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.70 1xr2 h ILE 515 CO 0.01 0.21 -0.00 0.74 -0.69 0.00 0.00 178.15 178.42 1xr2 h THR 516 N -0.09 0.87 -0.74 -0.27 2.02 -0.09 -1.48 112.91 113.14 1xr2 h THR 516 Ca 0.03 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 1xr2 h THR 516 Cb 0.32 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 1xr2 h THR 516 CO 0.00 0.01 0.43 0.22 0.37 0.00 0.00 175.52 176.55 1xr2 h TYR 517 N 0.05 0.97 -0.58 3.16 5.03 -1.40 -1.80 116.97 122.40 1xr2 h TYR 517 Ca 0.08 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.31 1xr2 h TYR 517 Cb 0.10 -0.32 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 1xr2 h TYR 517 CO -0.17 0.66 0.05 0.00 -1.32 0.00 0.00 178.16 177.38 1xr2 h ALA 518 N 1.46 0.78 0.00 1.82 0.00 -0.97 -2.98 119.26 119.37 1xr2 h ALA 518 Ca 0.26 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 1xr2 h ALA 518 Cb -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xr2 h ALA 518 CO -0.05 0.57 -0.43 0.37 0.00 0.00 0.00 179.25 179.71 1xr2 h GLN 519 N 0.89 0.00 0.00 0.00 5.75 -0.79 -2.81 115.11 118.14 1xr2 h GLN 519 Ca 0.17 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 1xr2 h GLN 519 Cb 0.48 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1xr2 h GLN 519 CO 0.02 0.43 0.00 -1.13 -2.65 0.00 0.00 178.83 175.50 1xr2 n SER 520 N -3.82 0.00 -0.25 -0.69 3.41 -0.72 -2.78 113.62 108.77 1xr2 n SER 520 Ca -0.01 0.23 0.11 0.00 -0.26 0.00 0.00 58.87 58.94 1xr2 n SER 520 Cb 0.49 -0.39 0.06 0.00 -0.26 0.00 0.00 64.21 64.11 1xr2 n SER 520 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1xr2 n LEU 521 N -1.39 1.38 -3.93 1.04 4.77 -1.06 -4.98 117.00 112.82 1xr2 n LEU 521 Ca 0.08 -0.51 -0.09 0.00 -0.03 0.00 0.00 56.01 55.46 1xr2 n LEU 521 Cb 0.20 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1xr2 n LEU 521 CO 0.18 0.28 -0.11 0.28 -1.33 0.00 0.00 177.39 176.69 1xr2 s THR 522 N -2.69 0.12 -0.14 -5.08 -1.32 -1.12 -5.01 115.64 100.41 1xr2 s THR 522 Ca 0.16 -1.36 0.18 0.00 -1.21 0.00 0.00 61.69 59.46 1xr2 s THR 522 Cb 0.18 -1.59 -0.13 0.00 -1.51 0.00 0.00 72.50 69.45 1xr2 s THR 522 CO 0.66 -0.54 0.80 -0.62 -2.21 0.00 0.00 174.62 172.72 1xr2 n GLU 523 N -0.10 0.62 -1.82 7.08 -0.58 -1.26 -4.90 120.64 119.68 1xr2 n GLU 523 Ca -0.11 0.18 -0.33 0.00 -0.42 0.00 0.00 57.16 56.48 1xr2 n GLU 523 Cb 0.63 -1.78 0.04 0.00 -0.57 0.00 0.00 31.44 29.75 1xr2 n GLU 523 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1xr2 s LYS 524 N -3.00 2.98 0.17 3.49 1.02 -1.26 -4.99 119.74 118.15 1xr2 s LYS 524 Ca -0.03 1.26 -0.30 0.00 0.02 0.00 0.00 55.97 56.92 1xr2 s LYS 524 Cb 0.09 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.34 1xr2 s LYS 524 CO 0.81 -1.09 1.22 -1.25 -0.92 0.00 0.00 175.35 174.12 1xr2 s PRO 525 N -4.24 4.46 -0.18 -1.68 0.04 -1.26 -4.90 135.00 127.25 1xr2 s PRO 525 Ca 0.64 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.56 1xr2 s PRO 525 Cb -0.18 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.11 1xr2 s PRO 525 CO 0.42 -0.15 -0.09 0.08 0.04 0.00 0.00 177.00 177.30 1xr2 s VAL 526 N 0.15 3.14 0.36 -0.36 1.01 -1.26 -1.10 120.40 122.33 1xr2 s VAL 526 Ca 0.55 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 1xr2 s VAL 526 Cb -0.33 -2.38 -0.10 0.00 0.00 0.00 0.00 36.38 33.57 1xr2 s VAL 526 CO 0.36 0.47 0.89 -1.59 0.00 0.00 0.00 175.10 175.23 1xr2 s LYS 527 N 1.01 4.31 0.55 2.72 -2.85 -0.55 -4.52 119.74 120.41 1xr2 s LYS 527 Ca -0.01 1.09 -0.16 0.00 -1.00 0.00 0.00 55.97 55.89 1xr2 s LYS 527 Cb -0.15 -2.49 -0.06 0.00 -2.06 0.00 0.00 37.83 33.07 1xr2 s LYS 527 CO -0.01 0.14 1.01 0.20 0.10 0.00 0.00 175.35 176.80 1xr2 s GLY 528 N -1.96 2.06 -0.22 0.59 0.00 0.14 -4.73 107.32 103.21 1xr2 s GLY 528 Ca 0.55 0.24 -0.00 0.00 0.00 0.00 0.00 44.72 45.51 1xr2 s GLY 528 CO 0.18 0.54 -0.02 -0.29 0.00 0.00 0.00 173.10 173.50 1xr2 s MET 529 N -4.13 1.30 0.23 2.90 1.75 -1.26 -0.39 119.30 119.70 1xr2 s MET 529 Ca 0.60 -0.82 0.07 0.00 -1.25 0.00 0.00 55.69 54.29 1xr2 s MET 529 Cb -0.12 -2.43 -0.05 0.00 2.84 0.00 0.00 34.83 35.06 1xr2 s MET 529 CO 0.35 -0.62 -0.10 -0.51 -0.65 0.00 0.00 175.02 173.48 1xr2 s LEU 530 N 1.54 2.51 -0.15 4.11 1.43 0.49 -4.99 118.68 123.62 1xr2 s LEU 530 Ca -0.04 -1.09 -0.03 0.00 -1.03 0.00 0.00 54.13 51.93 1xr2 s LEU 530 Cb -0.18 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 1xr2 s LEU 530 CO -0.07 -0.25 -0.05 -0.89 0.23 0.00 0.00 176.35 175.32 1xr2 s THR 531 N -3.01 3.78 0.88 5.49 2.01 -1.26 -0.75 115.64 122.77 1xr2 s THR 531 Ca 0.25 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 1xr2 s THR 531 Cb 0.01 -2.65 0.12 0.00 0.01 0.00 0.00 72.50 70.00 1xr2 s THR 531 CO 0.09 0.50 1.17 -0.83 -0.69 0.00 0.00 174.62 174.85 1xr2 s GLY 532 N 0.36 1.85 0.29 4.40 0.00 0.12 -4.84 107.32 109.50 1xr2 s GLY 532 Ca -0.05 0.68 0.01 0.00 0.00 0.00 0.00 44.72 45.36 1xr2 s GLY 532 CO 0.03 1.09 1.78 -0.56 0.00 0.00 0.00 173.10 175.44 1xr2 h PRO 533 N -1.54 0.60 -0.27 2.90 0.13 -1.89 -2.54 132.00 129.39 1xr2 h PRO 533 Ca -0.44 -0.17 -0.09 0.00 -0.87 0.00 0.00 66.00 64.42 1xr2 h PRO 533 Cb 1.28 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1xr2 h PRO 533 CO 0.43 0.69 -0.22 0.28 -0.23 0.00 0.00 178.00 178.96 1xr2 h VAL 534 N 0.55 1.26 -0.28 1.56 2.07 -1.92 -1.63 116.25 117.86 1xr2 h VAL 534 Ca 0.10 -1.21 -0.14 0.00 0.82 0.00 0.00 66.70 66.28 1xr2 h VAL 534 Cb 0.50 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 1xr2 h VAL 534 CO 0.03 0.39 -0.37 0.74 0.02 0.00 0.00 177.57 178.37 1xr2 h THR 535 N 0.45 1.30 -0.73 2.57 2.02 -1.85 -0.52 112.91 116.15 1xr2 h THR 535 Ca 0.07 -1.56 -0.03 0.00 0.77 0.00 0.00 66.41 65.66 1xr2 h THR 535 Cb 0.63 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.64 1xr2 h THR 535 CO 0.04 0.50 0.34 0.40 0.37 0.00 0.00 175.52 177.18 1xr2 h ILE 536 N 0.48 1.24 -0.33 3.11 2.04 -1.28 -2.49 117.51 120.28 1xr2 h ILE 536 Ca 0.03 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.12 1xr2 h ILE 536 Cb 0.96 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1xr2 h ILE 536 CO 0.09 0.28 -0.12 -0.03 0.00 0.00 0.00 178.15 178.37 1xr2 h MET 537 N 1.02 0.67 0.00 2.37 4.05 -1.21 -3.22 114.93 118.61 1xr2 h MET 537 Ca 0.25 -0.28 -0.05 0.00 -0.28 0.00 0.00 59.70 59.34 1xr2 h MET 537 Cb 0.13 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.90 1xr2 h MET 537 CO -0.03 0.86 -0.23 0.66 0.23 0.00 0.00 176.91 178.40 1xr2 h SER 538 N 0.45 0.00 0.54 1.39 4.64 -0.96 -2.82 113.55 116.79 1xr2 h SER 538 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1xr2 h SER 538 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1xr2 h SER 538 CO 0.04 0.23 -0.31 0.79 -0.87 0.00 0.00 176.83 176.71 1xr2 n TRP 539 N -3.37 0.00 -4.38 4.77 7.02 -0.95 -4.89 117.44 115.63 1xr2 n TRP 539 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.24 1xr2 n TRP 539 Cb 0.45 -0.27 -0.09 0.00 -2.42 0.00 0.00 31.31 28.98 1xr2 n TRP 539 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1xr2 s SER 540 N -2.85 4.07 0.54 -0.99 0.01 -1.06 -4.25 113.70 109.16 1xr2 s SER 540 Ca 0.16 -1.00 -0.07 0.00 1.31 0.00 0.00 55.95 56.36 1xr2 s SER 540 Cb 0.18 -0.51 -0.03 0.00 0.21 0.00 0.00 66.02 65.88 1xr2 s SER 540 CO 0.61 -0.17 0.87 -0.31 0.41 0.00 0.00 173.24 174.65 1xr2 s TYR 541 N -2.51 3.52 0.06 2.43 2.02 -0.26 -4.91 117.35 117.70 1xr2 s TYR 541 Ca 0.33 0.91 -0.24 0.00 -0.37 0.00 0.00 57.07 57.70 1xr2 s TYR 541 Cb -0.01 -2.50 0.06 0.00 -0.40 0.00 0.00 41.96 39.11 1xr2 s TYR 541 CO 0.18 -0.50 0.57 1.52 -1.57 0.00 0.00 175.55 175.76 1xr2 s TYR 542 N -2.91 -0.50 0.38 2.71 -0.85 -1.26 -1.37 117.35 113.55 1xr2 s TYR 542 Ca 0.51 0.55 -0.25 0.00 -0.52 0.00 0.00 57.07 57.36 1xr2 s TYR 542 Cb -0.11 0.42 -0.12 0.00 0.38 0.00 0.00 41.96 42.53 1xr2 s TYR 542 CO 0.47 -0.70 0.96 0.54 -1.52 0.00 0.00 175.55 175.30 1xr2 n ARG 543 N 0.27 1.27 0.00 -3.49 5.12 -1.10 -4.91 116.66 113.82 1xr2 n ARG 543 Ca -0.18 0.45 0.08 0.00 -1.93 0.00 0.00 57.85 56.28 1xr2 n ARG 543 Cb 0.61 -1.92 0.02 0.00 -1.16 0.00 0.00 32.46 30.01 1xr2 n ARG 543 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1xr2 n GLU 544 N 0.38 1.59 0.06 5.56 1.02 -1.26 -4.45 120.64 123.54 1xr2 n GLU 544 Ca 0.10 -1.02 -0.04 0.00 -0.02 0.00 0.00 57.16 56.18 1xr2 n GLU 544 Cb 0.37 -1.30 0.18 0.00 -0.02 0.00 0.00 31.44 30.67 1xr2 n GLU 544 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1xr2 h ASP 545 N 2.28 0.35 -2.90 1.62 5.19 -2.02 -3.44 116.42 117.49 1xr2 h ASP 545 Ca 0.00 -0.15 -0.62 0.00 -0.62 0.00 0.00 57.03 55.63 1xr2 h ASP 545 Cb 0.61 -0.10 -0.14 0.00 0.18 0.00 0.00 39.33 39.88 1xr2 h ASP 545 CO 0.00 0.74 -0.73 0.27 -3.12 0.00 0.00 179.24 176.40 1xr2 s ILE 546 N -4.14 3.08 0.55 0.35 -4.36 -1.26 -5.11 121.20 110.31 1xr2 s ILE 546 Ca -0.05 -1.77 -0.22 0.00 -0.26 0.00 0.00 60.65 58.36 1xr2 s ILE 546 Cb 0.13 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 1xr2 s ILE 546 CO 0.79 -0.15 1.36 -0.81 0.24 0.00 0.00 174.94 176.37 1xr2 n PRO 547 N -0.06 1.67 -0.17 0.37 -0.04 -1.26 -4.90 135.00 130.61 1xr2 n PRO 547 Ca -0.10 0.61 -0.03 0.00 -0.04 0.00 0.00 63.50 63.94 1xr2 n PRO 547 Cb 0.56 -2.58 0.07 0.00 -0.04 0.00 0.00 33.50 31.51 1xr2 n PRO 547 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1xr2 h GLU 548 N 1.38 0.35 -0.73 0.54 5.08 -1.96 -2.33 114.58 116.91 1xr2 h GLU 548 Ca -0.51 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 57.98 1xr2 h GLU 548 Cb 1.31 -0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.34 1xr2 h GLU 548 CO 0.57 0.23 -0.19 0.00 -1.00 0.00 0.00 179.01 178.62 1xr2 h ARG 549 N 0.36 -0.01 0.02 2.33 2.47 -1.97 0.44 114.38 118.02 1xr2 h ARG 549 Ca 0.25 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.98 1xr2 h ARG 549 Cb 0.27 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.57 1xr2 h ARG 549 CO -0.25 -0.00 -0.09 1.49 0.56 0.00 0.00 179.97 181.67 1xr2 h GLU 550 N -0.01 -0.16 -0.53 0.04 4.81 -1.79 0.17 114.58 117.11 1xr2 h GLU 550 Ca 0.35 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.61 1xr2 h GLU 550 Cb 0.54 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1xr2 h GLU 550 CO -0.76 -0.11 0.32 0.82 -0.73 0.00 0.00 179.01 178.56 1xr2 h ILE 551 N -0.17 1.06 -0.61 2.32 2.04 -1.12 0.13 117.51 121.16 1xr2 h ILE 551 Ca 0.03 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1xr2 h ILE 551 Cb 0.21 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 1xr2 h ILE 551 CO -0.08 0.12 0.39 0.00 0.00 0.00 0.00 178.15 178.57 1xr2 h ALA 552 N 1.23 0.78 -0.59 1.87 0.00 -0.49 -1.71 119.26 120.35 1xr2 h ALA 552 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1xr2 h ALA 552 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1xr2 h ALA 552 CO -0.09 0.15 0.22 1.88 0.00 0.00 0.00 179.25 181.41 1xr2 h TYR 553 N 0.77 0.92 -0.50 0.00 0.05 0.07 -0.41 116.97 117.87 1xr2 h TYR 553 Ca 0.24 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.96 1xr2 h TYR 553 Cb -0.03 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.41 1xr2 h TYR 553 CO -0.04 0.75 0.30 1.96 -1.05 0.00 0.00 178.16 180.07 1xr2 h GLN 554 N 0.83 0.58 -0.54 4.88 4.20 -0.59 0.32 115.11 124.79 1xr2 h GLN 554 Ca 0.20 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.77 1xr2 h GLN 554 Cb 0.23 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1xr2 h GLN 554 CO -0.01 0.38 -0.05 0.82 -0.67 0.00 0.00 178.83 179.30 1xr2 h ILE 555 N 0.60 1.26 -0.79 2.54 2.04 -1.13 -1.86 117.51 120.18 1xr2 h ILE 555 Ca 0.20 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 1xr2 h ILE 555 Cb 0.02 0.90 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1xr2 h ILE 555 CO -0.09 0.42 0.32 0.00 0.00 0.00 0.00 178.15 178.80 1xr2 h ALA 556 N 1.05 1.08 0.39 1.87 0.00 -0.25 0.12 119.26 123.52 1xr2 h ALA 556 Ca 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1xr2 h ALA 556 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1xr2 h ALA 556 CO 0.04 0.66 -0.24 1.25 0.00 0.00 0.00 179.25 180.95 1xr2 h LEU 557 N 1.14 -0.61 -0.66 0.00 7.12 -0.06 0.49 115.31 122.73 1xr2 h LEU 557 Ca 0.26 0.04 0.12 0.00 0.13 0.00 0.00 57.88 58.43 1xr2 h LEU 557 Cb 0.20 0.18 -0.09 0.00 -0.53 0.00 0.00 40.66 40.43 1xr2 h LEU 557 CO -0.02 -0.39 0.21 0.00 -0.13 0.00 0.00 178.44 178.11 1xr2 h ALA 558 N -0.03 0.85 -0.11 1.25 0.00 -0.87 0.32 119.26 120.66 1xr2 h ALA 558 Ca -0.04 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1xr2 h ALA 558 Cb 0.50 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1xr2 h ALA 558 CO 0.04 -0.25 -0.23 0.82 0.00 0.00 0.00 179.25 179.63 1xr2 h ILE 559 N 0.35 1.22 -0.15 0.00 2.04 -0.42 -2.84 117.51 117.71 1xr2 h ILE 559 Ca 0.35 -1.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.05 1xr2 h ILE 559 Cb 0.50 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1xr2 h ILE 559 CO -0.38 0.30 -0.57 -1.13 0.00 0.00 0.00 178.15 176.37 1xr2 h ASN 560 N 0.18 0.51 -0.31 1.72 -0.73 0.12 -1.99 115.58 115.08 1xr2 h ASN 560 Ca 0.03 -0.28 -0.01 0.00 1.87 0.00 0.00 56.30 57.91 1xr2 h ASN 560 Cb 0.51 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.93 1xr2 h ASN 560 CO 0.03 0.97 0.16 -0.33 -0.37 0.00 0.00 177.43 177.89 1xr2 h GLU 561 N 0.34 0.47 -0.21 6.67 4.39 -1.07 -0.98 114.58 124.20 1xr2 h GLU 561 Ca 0.00 -0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 1xr2 h GLU 561 Cb 1.10 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.65 1xr2 h GLU 561 CO 0.10 0.37 -0.24 1.49 -1.16 0.00 0.00 179.01 179.57 1xr2 h GLU 562 N 0.48 0.54 -0.98 2.33 4.57 -1.41 -2.47 114.58 117.64 1xr2 h GLU 562 Ca 0.12 -0.30 0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1xr2 h GLU 562 Cb 0.06 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.59 1xr2 h GLU 562 CO -0.02 0.89 0.62 0.28 -1.18 0.00 0.00 179.01 179.60 1xr2 h VAL 563 N 0.22 1.00 -0.38 0.32 2.07 -0.52 -1.64 116.25 117.32 1xr2 h VAL 563 Ca 0.03 -0.36 -0.14 0.00 0.82 0.00 0.00 66.70 67.05 1xr2 h VAL 563 Cb 0.81 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1xr2 h VAL 563 CO 0.06 0.19 -0.32 0.11 0.02 0.00 0.00 177.57 177.63 1xr2 h LYS 564 N 1.06 0.84 -0.80 1.57 1.57 -1.11 -2.21 116.57 117.49 1xr2 h LYS 564 Ca 0.46 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1xr2 h LYS 564 Cb 0.33 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1xr2 h LYS 564 CO -0.22 1.04 0.34 -0.44 -0.57 0.00 0.00 179.45 179.59 1xr2 h ASP 565 N 0.71 1.09 -0.87 0.86 3.32 -0.91 -0.19 116.42 120.43 1xr2 h ASP 565 Ca 0.07 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 1xr2 h ASP 565 Cb 0.87 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1xr2 h ASP 565 CO 0.08 0.96 0.44 -0.07 -1.72 0.00 0.00 179.24 178.93 1xr2 h LEU 566 N 1.16 1.12 -0.15 1.55 3.38 -1.19 -0.56 115.31 120.63 1xr2 h LEU 566 Ca 0.27 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1xr2 h LEU 566 Cb 0.19 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1xr2 h LEU 566 CO -0.03 0.92 0.01 -0.33 0.09 0.00 0.00 178.44 179.11 1xr2 h GLU 567 N 1.24 0.25 -0.30 1.13 5.08 -0.72 0.69 114.58 121.94 1xr2 h GLU 567 Ca 0.30 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 1xr2 h GLU 567 Cb 0.08 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1xr2 h GLU 567 CO -0.04 0.46 0.15 0.93 -1.00 0.00 0.00 179.01 179.51 1xr2 h GLU 568 N 0.01 0.41 0.00 2.33 5.08 -0.84 -0.43 114.58 121.14 1xr2 h GLU 568 Ca 0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1xr2 h GLU 568 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1xr2 h GLU 568 CO 0.01 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.33 1xr2 n ALA 569 N -2.49 1.99 0.00 3.43 0.00 -0.24 -4.91 120.51 118.29 1xr2 n ALA 569 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xr2 n ALA 569 Cb 0.10 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1xr2 n ALA 569 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xr2 n GLY 570 N 0.69 1.16 3.68 0.00 0.00 -0.17 -5.06 105.19 105.48 1xr2 n GLY 570 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1xr2 n GLY 570 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xr2 s ILE 571 N -2.00 4.64 -1.00 -0.61 1.09 0.17 -4.91 121.20 118.58 1xr2 s ILE 571 Ca 0.00 1.94 0.25 0.00 -1.10 0.00 0.00 60.65 61.74 1xr2 s ILE 571 Cb 0.00 -4.25 0.02 0.00 -1.06 0.00 0.00 42.46 37.17 1xr2 s ILE 571 CO 0.00 -0.06 1.45 0.29 -0.10 0.00 0.00 174.94 176.51 1xr2 n LYS 572 N 5.57 0.00 -3.79 2.79 5.02 -1.26 -4.37 118.16 122.11 1xr2 n LYS 572 Ca 0.10 -0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 1xr2 n LYS 572 Cb 0.47 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 1xr2 n LYS 572 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1xr2 s ILE 573 N -3.00 -0.03 -0.05 -0.18 1.01 -1.26 -1.95 121.20 115.74 1xr2 s ILE 573 Ca 0.11 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.87 1xr2 s ILE 573 Cb 0.18 -0.19 0.02 0.00 0.01 0.00 0.00 42.46 42.48 1xr2 s ILE 573 CO 0.69 0.04 -0.06 -0.69 0.00 0.00 0.00 174.94 174.91 1xr2 s VAL 574 N 0.61 0.70 -0.13 2.92 1.01 -0.62 0.26 120.40 125.14 1xr2 s VAL 574 Ca -0.05 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 1xr2 s VAL 574 Cb -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 1xr2 s VAL 574 CO -0.03 0.26 0.08 -1.58 0.00 0.00 0.00 175.10 173.83 1xr2 s GLN 575 N 0.94 3.52 -0.30 2.72 0.74 0.48 -0.92 119.66 126.84 1xr2 s GLN 575 Ca -0.10 -0.28 0.01 0.00 0.05 0.00 0.00 55.36 55.04 1xr2 s GLN 575 Cb -0.14 -3.10 0.09 0.00 1.10 0.00 0.00 33.01 30.96 1xr2 s GLN 575 CO 0.00 0.57 0.04 0.42 -0.55 0.00 0.00 175.29 175.78 1xr2 s ILE 576 N -0.48 1.59 -0.20 -2.34 1.01 0.73 -0.38 121.20 121.14 1xr2 s ILE 576 Ca 0.10 -1.73 -0.29 0.00 0.00 0.00 0.00 60.65 58.74 1xr2 s ILE 576 Cb -0.12 -2.10 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1xr2 s ILE 576 CO 0.02 -0.50 1.10 -1.81 0.00 0.00 0.00 174.94 173.75 1xr2 s ASP 577 N 1.28 7.06 -0.51 3.58 1.01 0.07 -3.43 116.67 125.74 1xr2 s ASP 577 Ca 0.06 1.49 0.07 0.00 0.71 0.00 0.00 52.55 54.88 1xr2 s ASP 577 Cb -0.18 -2.54 0.29 0.00 1.01 0.00 0.00 42.92 41.49 1xr2 s ASP 577 CO -0.14 -0.68 0.72 1.21 0.21 0.00 0.00 175.17 176.50 1xr2 n GLU 578 N 6.29 1.88 0.30 8.23 4.07 -1.20 0.15 120.64 140.36 1xr2 n GLU 578 Ca 0.12 -4.07 0.17 0.00 -0.06 0.00 0.00 57.16 53.32 1xr2 n GLU 578 Cb 0.46 -1.86 0.97 0.00 -0.06 0.00 0.00 31.44 30.95 1xr2 n GLU 578 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xr2 h PRO 579 N 3.67 0.00 0.00 5.31 0.13 -1.94 -1.90 132.00 137.27 1xr2 h PRO 579 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1xr2 h PRO 579 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1xr2 h PRO 579 CO 0.67 0.01 0.00 0.00 -0.23 0.00 0.00 178.00 178.44 1xr2 n ALA 580 N -2.27 1.95 -0.31 -0.56 0.00 -1.26 -3.45 120.51 114.61 1xr2 n ALA 580 Ca -0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1xr2 n ALA 580 Cb 0.09 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.16 1xr2 n ALA 580 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xr2 h PHE 581 N 0.00 -1.30 0.03 0.00 3.57 -1.71 0.32 116.94 117.85 1xr2 h PHE 581 Ca 0.00 0.10 -0.34 0.00 3.53 0.00 0.00 57.97 61.26 1xr2 h PHE 581 Cb 0.42 0.68 -0.05 0.00 2.79 0.00 0.00 35.95 39.79 1xr2 h PHE 581 CO 0.00 -0.40 -2.06 -2.13 -2.23 0.00 0.00 178.31 171.48 1xr2 n ARG 582 N -5.40 0.68 0.06 1.11 0.63 -1.25 -4.24 116.66 108.23 1xr2 n ARG 582 Ca 0.05 0.18 0.05 0.00 -0.92 0.00 0.00 57.85 57.22 1xr2 n ARG 582 Cb 0.35 -1.66 0.48 0.00 0.45 0.00 0.00 32.46 32.08 1xr2 n ARG 582 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1xr2 h GLU 583 N 0.01 0.41 -0.14 -0.14 5.08 -1.49 -0.83 114.58 117.49 1xr2 h GLU 583 Ca -0.43 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1xr2 h GLU 583 Cb 2.07 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1xr2 h GLU 583 CO 0.04 0.27 0.00 1.17 -1.00 0.00 0.00 179.01 179.50 1xr2 n LYS 584 N -4.49 1.81 -1.90 2.33 4.81 0.07 -4.83 118.16 115.95 1xr2 n LYS 584 Ca 0.02 -1.20 -0.39 0.00 -0.87 0.00 0.00 58.31 55.87 1xr2 n LYS 584 Cb 0.08 -1.43 0.02 0.00 0.02 0.00 0.00 35.03 33.71 1xr2 n LYS 584 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xr2 s ALA 585 N -1.83 3.08 0.60 3.14 0.00 -0.32 -4.94 121.76 121.49 1xr2 s ALA 585 Ca 0.34 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.43 1xr2 s ALA 585 Cb 0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1xr2 s ALA 585 CO 0.29 -1.11 1.01 -2.30 0.00 0.00 0.00 175.76 173.65 1xr2 n PRO 586 N -0.42 0.94 -0.20 0.00 -0.02 -1.26 -4.87 135.00 129.17 1xr2 n PRO 586 Ca 0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1xr2 n PRO 586 Cb 0.44 -2.21 0.24 0.00 -0.02 0.00 0.00 33.50 31.95 1xr2 n PRO 586 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1xr2 h ILE 587 N 0.53 1.19 -3.39 4.25 2.04 -1.92 -3.38 117.51 116.83 1xr2 h ILE 587 Ca -0.49 -0.40 -0.60 0.00 1.00 0.00 0.00 64.86 64.37 1xr2 h ILE 587 Cb 1.36 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 1xr2 h ILE 587 CO 0.51 0.20 0.48 -0.54 0.00 0.00 0.00 178.15 178.80 1xr2 s LYS 588 N -5.76 4.01 0.54 2.37 1.02 -1.26 -4.67 119.74 115.98 1xr2 s LYS 588 Ca -0.11 0.71 0.30 0.00 0.02 0.00 0.00 55.97 56.90 1xr2 s LYS 588 Cb 0.17 -3.72 1.51 0.00 -0.52 0.00 0.00 37.83 35.27 1xr2 s LYS 588 CO 0.78 -0.70 2.07 0.87 -0.92 0.00 0.00 175.35 177.46 1xr2 h LYS 589 N 8.06 0.00 0.00 1.68 1.57 -1.98 -1.49 116.57 124.41 1xr2 h LYS 589 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1xr2 h LYS 589 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.40 1xr2 h LYS 589 CO 0.91 0.10 0.00 0.66 -0.57 0.00 0.00 179.45 180.54 1xr2 h SER 590 N 0.00 0.00 -0.39 0.86 4.64 -1.93 -0.73 113.55 116.00 1xr2 h SER 590 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xr2 h SER 590 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1xr2 h SER 590 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1xr2 n LYS 591 N -2.93 2.48 -0.28 4.77 5.02 -0.56 -4.55 118.16 122.11 1xr2 n LYS 591 Ca -0.01 -2.27 -0.05 0.00 -2.02 0.00 0.00 58.31 53.95 1xr2 n LYS 591 Cb 0.14 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.71 1xr2 n LYS 591 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1xr2 h TRP 592 N 4.35 1.04 -0.37 2.13 4.06 -1.18 -3.03 115.95 122.96 1xr2 h TRP 592 Ca 0.00 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 61.00 1xr2 h TRP 592 Cb 0.97 -0.33 -0.08 0.00 -1.00 0.00 0.00 29.16 28.72 1xr2 h TRP 592 CO 0.25 0.73 -0.15 -1.35 -3.56 0.00 0.00 178.44 174.36 1xr2 h PRO 593 N 1.05 -0.07 0.08 0.49 0.11 -1.80 0.12 132.00 131.98 1xr2 h PRO 593 Ca 0.27 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.38 1xr2 h PRO 593 Cb 0.03 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1xr2 h PRO 593 CO -0.04 -0.05 -0.04 0.93 -0.21 0.00 0.00 178.00 178.59 1xr2 h GLU 594 N -0.08 -0.10 0.50 1.05 3.07 -1.89 -2.63 114.58 114.49 1xr2 h GLU 594 Ca 0.18 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1xr2 h GLU 594 Cb 0.36 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xr2 h GLU 594 CO -0.42 -0.06 -0.30 -0.92 -1.40 0.00 0.00 179.01 175.91 1xr2 h TYR 595 N -0.12 -0.79 -0.01 4.33 3.20 -1.32 -2.68 116.97 119.58 1xr2 h TYR 595 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1xr2 h TYR 595 Cb 0.10 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1xr2 h TYR 595 CO -0.07 -0.46 0.05 0.74 -1.64 0.00 0.00 178.16 176.78 1xr2 h PHE 596 N -0.75 0.00 -0.40 -3.82 -1.00 -0.81 -1.79 116.94 108.36 1xr2 h PHE 596 Ca -0.06 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1xr2 h PHE 596 Cb 0.61 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.15 1xr2 h PHE 596 CO -0.09 0.00 0.22 0.93 -1.61 0.00 0.00 178.31 177.76 1xr2 h GLU 597 N 0.00 0.56 0.00 1.51 5.08 -1.10 -1.03 114.58 119.60 1xr2 h GLU 597 Ca 0.01 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.14 1xr2 h GLU 597 Cb 0.10 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1xr2 h GLU 597 CO -0.00 0.45 -1.26 0.11 -1.00 0.00 0.00 179.01 177.32 1xr2 h TRP 598 N 0.52 0.00 -0.10 4.33 5.08 -1.48 -2.97 115.95 121.33 1xr2 h TRP 598 Ca 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.11 1xr2 h TRP 598 Cb 0.06 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.21 1xr2 h TRP 598 CO -0.02 0.58 0.03 0.00 -1.28 0.00 0.00 178.44 177.75 1xr2 h ALA 599 N 1.42 0.13 -0.48 0.11 0.00 -1.27 0.44 119.26 119.59 1xr2 h ALA 599 Ca -0.13 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xr2 h ALA 599 Cb 1.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 1xr2 h ALA 599 CO 0.05 -0.27 0.31 0.82 0.00 0.00 0.00 179.25 180.16 1xr2 h ILE 600 N -0.02 1.11 -0.69 0.00 2.04 -1.31 -0.63 117.51 118.01 1xr2 h ILE 600 Ca 0.03 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1xr2 h ILE 600 Cb 0.20 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1xr2 h ILE 600 CO -0.00 0.12 0.36 0.78 0.00 0.00 0.00 178.15 179.41 1xr2 h ASN 601 N 0.64 0.87 -0.03 1.72 2.35 -1.32 -1.37 115.58 118.44 1xr2 h ASN 601 Ca 0.18 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1xr2 h ASN 601 Cb -0.05 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.09 1xr2 h ASN 601 CO -0.05 0.73 0.02 0.00 -1.65 0.00 0.00 177.43 176.48 1xr2 h ALA 602 N 1.18 0.03 -0.18 -0.83 0.00 0.40 -0.90 119.26 118.96 1xr2 h ALA 602 Ca 0.24 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1xr2 h ALA 602 Cb 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xr2 h ALA 602 CO -0.04 -0.45 0.09 0.35 0.00 0.00 0.00 179.25 179.21 1xr2 h PHE 603 N -0.00 0.17 -0.12 0.00 3.57 -0.96 -2.47 116.94 117.13 1xr2 h PHE 603 Ca 0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1xr2 h PHE 603 Cb 0.04 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1xr2 h PHE 603 CO -0.06 0.10 -0.06 -0.91 -2.23 0.00 0.00 178.31 175.15 1xr2 h ASN 604 N 0.20 0.16 -0.40 0.41 2.35 -1.10 0.82 115.58 118.01 1xr2 h ASN 604 Ca 0.07 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.71 1xr2 h ASN 604 Cb 0.02 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1xr2 h ASN 604 CO -0.05 0.24 -0.12 0.25 -1.65 0.00 0.00 177.43 176.10 1xr2 h LEU 605 N 0.17 0.81 -0.67 1.61 5.85 -0.84 -0.22 115.31 122.01 1xr2 h LEU 605 Ca 0.04 -0.37 -0.14 0.00 0.84 0.00 0.00 57.88 58.25 1xr2 h LEU 605 Cb 0.21 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1xr2 h LEU 605 CO 0.01 1.00 -0.45 0.00 -0.34 0.00 0.00 178.44 178.66 1xr2 h ALA 606 N 0.84 0.85 -0.27 1.25 0.00 -0.91 -2.99 119.26 118.02 1xr2 h ALA 606 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1xr2 h ALA 606 Cb 0.66 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xr2 h ALA 606 CO 0.04 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.95 1xr2 n ALA 607 N -2.50 2.48 -1.31 0.00 0.00 0.21 -4.17 120.51 115.22 1xr2 n ALA 607 Ca -0.02 -0.61 -0.36 0.00 0.00 0.00 0.00 53.44 52.45 1xr2 n ALA 607 Cb 0.54 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 1xr2 n ALA 607 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xr2 n ASN 608 N 0.51 2.22 -4.90 0.00 2.85 -0.11 -4.88 115.26 110.95 1xr2 n ASN 608 Ca 0.15 -2.63 -0.20 0.00 -0.11 0.00 0.00 54.58 51.79 1xr2 n ASN 608 Cb 0.34 -1.23 -0.02 0.00 1.24 0.00 0.00 39.78 40.11 1xr2 n ASN 608 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xr2 s ALA 609 N 8.46 4.15 0.54 5.20 0.00 -1.26 -5.01 121.76 133.84 1xr2 s ALA 609 Ca 0.66 -1.85 -0.21 0.00 0.00 0.00 0.00 51.96 50.56 1xr2 s ALA 609 Cb 0.08 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.04 1xr2 s ALA 609 CO 0.18 -0.25 1.26 1.03 0.00 0.00 0.00 175.76 177.98 1xr2 s ARG 610 N -4.18 3.23 0.31 0.00 0.52 -1.26 -4.67 118.95 112.91 1xr2 s ARG 610 Ca 0.49 1.98 0.08 0.00 -0.52 0.00 0.00 55.73 57.76 1xr2 s ARG 610 Cb -0.04 -2.18 0.90 0.00 0.52 0.00 0.00 34.95 34.14 1xr2 s ARG 610 CO 0.29 -1.04 1.65 -1.35 0.02 0.00 0.00 175.30 174.87 1xr2 h PRO 611 N 1.41 0.26 0.00 3.54 0.11 -1.97 0.72 132.00 136.06 1xr2 h PRO 611 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1xr2 h PRO 611 Cb 1.29 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1xr2 h PRO 611 CO 0.57 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.68 1xr2 n GLU 612 N -5.14 0.25 -3.33 1.05 0.00 -1.26 -4.59 120.64 107.61 1xr2 n GLU 612 Ca 0.26 0.10 -0.40 0.00 0.00 0.00 0.00 57.16 57.13 1xr2 n GLU 612 Cb 0.83 -1.50 -0.09 0.00 0.00 0.00 0.00 31.44 30.68 1xr2 n GLU 612 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1xr2 s THR 613 N -2.64 5.12 -0.30 3.84 2.01 0.24 -4.68 115.64 119.23 1xr2 s THR 613 Ca 0.18 0.42 -0.29 0.00 0.31 0.00 0.00 61.69 62.31 1xr2 s THR 613 Cb 0.14 -3.81 0.01 0.00 0.01 0.00 0.00 72.50 68.85 1xr2 s THR 613 CO 0.32 -0.01 1.05 -1.58 -0.69 0.00 0.00 174.62 173.70 1xr2 s GLN 614 N 2.17 4.11 -0.17 4.92 0.74 -0.82 -4.81 119.66 125.80 1xr2 s GLN 614 Ca 0.16 1.11 -0.14 0.00 0.05 0.00 0.00 55.36 56.54 1xr2 s GLN 614 Cb -0.16 -3.71 -0.05 0.00 1.10 0.00 0.00 33.01 30.19 1xr2 s GLN 614 CO 0.11 -0.82 0.28 0.42 -0.55 0.00 0.00 175.29 174.73 1xr2 s ILE 615 N 3.50 5.31 -0.12 -2.34 -1.09 -1.26 -1.59 121.20 123.61 1xr2 s ILE 615 Ca 0.44 0.51 -0.01 0.00 -2.23 0.00 0.00 60.65 59.37 1xr2 s ILE 615 Cb -0.13 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1xr2 s ILE 615 CO 0.13 0.38 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.12 1xr2 s HIS 616 N 0.56 2.88 -0.10 3.97 3.76 -0.10 -0.79 115.29 125.48 1xr2 s HIS 616 Ca 0.15 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1xr2 s HIS 616 Cb -0.13 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 1xr2 s HIS 616 CO 0.04 -0.02 -0.09 0.00 -0.85 0.00 0.00 174.74 173.82 1xr2 s ALA 617 N 0.03 2.83 -0.09 -1.40 0.00 -0.19 -0.19 121.76 122.73 1xr2 s ALA 617 Ca -0.02 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1xr2 s ALA 617 Cb -0.14 -1.25 0.01 0.00 0.00 0.00 0.00 23.12 21.74 1xr2 s ALA 617 CO 0.04 0.40 -0.18 -1.58 0.00 0.00 0.00 175.76 174.43 1xr2 s HIS 618 N -0.21 2.10 -0.08 0.00 5.04 -1.22 -1.47 115.29 119.45 1xr2 s HIS 618 Ca 0.02 -0.89 -0.03 0.00 -1.54 0.00 0.00 55.06 52.62 1xr2 s HIS 618 Cb -0.13 -1.46 0.04 0.00 0.04 0.00 0.00 32.58 31.08 1xr2 s HIS 618 CO 0.03 -0.40 0.17 -1.64 -2.34 0.00 0.00 174.74 170.56 1xr2 s MET 619 N 0.62 0.10 -0.42 2.88 -1.94 -1.21 -3.25 119.30 116.08 1xr2 s MET 619 Ca -0.14 0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 54.31 1xr2 s MET 619 Cb -0.16 -0.19 0.27 0.00 2.01 0.00 0.00 34.83 36.76 1xr2 s MET 619 CO 0.04 -0.21 2.06 0.00 -0.01 0.00 0.00 175.02 176.89 1xr2 s TYR 621 N -2.33 3.76 -1.43 0.00 4.12 -1.26 -4.94 117.35 115.27 1xr2 s TYR 621 Ca 0.41 1.65 0.30 0.00 0.02 0.00 0.00 57.07 59.44 1xr2 s TYR 621 Cb 0.32 -2.80 1.42 0.00 -1.52 0.00 0.00 41.96 39.37 1xr2 s TYR 621 CO -0.02 0.34 1.99 -1.13 0.02 0.00 0.00 175.55 176.76 1xr2 n SER 622 N 0.94 0.11 -3.62 2.29 3.41 -1.26 -4.48 113.62 111.01 1xr2 n SER 622 Ca -0.01 -0.19 -0.13 0.00 -0.26 0.00 0.00 58.87 58.28 1xr2 n SER 622 Cb 0.50 -0.24 -0.07 0.00 -0.26 0.00 0.00 64.21 64.14 1xr2 n SER 622 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xr2 s ASP 623 N -2.59 -0.62 0.00 4.04 2.15 -1.26 -4.95 116.67 113.43 1xr2 s ASP 623 Ca 0.27 1.11 0.04 0.00 0.43 0.00 0.00 52.55 54.40 1xr2 s ASP 623 Cb 0.20 1.10 0.04 0.00 -0.30 0.00 0.00 42.92 43.95 1xr2 s ASP 623 CO 0.48 -0.27 0.65 0.49 -0.17 0.00 0.00 175.17 176.35 1xr2 n PHE 624 N 2.20 0.01 -0.31 -5.34 3.01 -1.26 -4.74 117.46 111.02 1xr2 n PHE 624 Ca -0.14 -0.03 0.13 0.00 1.01 0.00 0.00 57.45 58.42 1xr2 n PHE 624 Cb 0.56 -0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.33 1xr2 n PHE 624 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 1xr2 h ASN 625 N 0.76 0.48 0.78 4.37 2.35 -1.94 0.35 115.58 122.74 1xr2 h ASN 625 Ca 0.00 0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1xr2 h ASN 625 Cb 0.19 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.63 1xr2 h ASN 625 CO 0.00 0.09 -0.23 -0.62 -1.65 0.00 0.00 177.43 175.02 1xr2 n GLU 626 N -4.95 0.01 0.00 0.81 1.02 -1.26 -4.19 120.64 112.07 1xr2 n GLU 626 Ca 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1xr2 n GLU 626 Cb 0.61 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 1xr2 n GLU 626 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1xr2 n ILE 627 N -1.52 0.00 -0.34 -3.67 -5.35 -0.61 -4.83 119.36 103.04 1xr2 n ILE 627 Ca 0.06 -0.31 0.19 0.00 -0.27 0.00 0.00 62.75 62.42 1xr2 n ILE 627 Cb 0.34 1.33 0.42 0.00 -1.74 0.00 0.00 39.64 39.99 1xr2 n ILE 627 CO 0.00 0.00 0.00 -0.29 -1.76 0.00 0.00 176.55 174.50 1xr2 h ILE 628 N 0.33 0.55 -0.09 7.28 6.09 -0.50 0.45 117.51 131.62 1xr2 h ILE 628 Ca 0.00 -0.19 -0.03 0.00 -1.37 0.00 0.00 64.86 63.27 1xr2 h ILE 628 Cb 0.17 -0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.41 1xr2 h ILE 628 CO 0.00 0.10 -0.08 -0.33 -3.07 0.00 0.00 178.15 174.77 1xr2 h GLU 629 N 0.54 0.14 0.17 2.19 4.39 -1.88 -1.09 114.58 119.05 1xr2 h GLU 629 Ca 0.62 -0.02 -0.33 0.00 0.34 0.00 0.00 59.36 59.97 1xr2 h GLU 629 Cb 1.28 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 1xr2 h GLU 629 CO -0.41 0.23 -1.63 1.88 -1.16 0.00 0.00 179.01 177.91 1xr2 h TYR 630 N 0.14 0.67 -0.99 4.33 -1.99 -0.53 -3.30 116.97 115.30 1xr2 h TYR 630 Ca 0.03 -0.49 0.06 0.00 2.00 0.00 0.00 58.73 60.33 1xr2 h TYR 630 Cb 0.23 -0.03 -0.06 0.00 2.00 0.00 0.00 36.73 38.87 1xr2 h TYR 630 CO 0.00 1.56 0.64 0.82 -0.00 0.00 0.00 178.16 181.18 1xr2 h ILE 631 N 0.10 1.10 -0.02 -2.88 1.08 -0.86 -1.52 117.51 114.50 1xr2 h ILE 631 Ca -0.30 -0.40 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 1xr2 h ILE 631 Cb 2.08 -0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 35.66 1xr2 h ILE 631 CO 0.19 0.21 0.03 -0.74 -0.69 0.00 0.00 178.15 177.15 1xr2 h HIS 632 N 1.17 0.00 -0.00 1.37 2.76 -1.28 -1.27 115.15 117.90 1xr2 h HIS 632 Ca 0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1xr2 h HIS 632 Cb 0.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1xr2 h HIS 632 CO -0.00 0.00 -0.22 1.04 -1.30 0.00 0.00 177.93 177.45 1xr2 n GLN 633 N -3.56 0.62 -2.72 5.26 6.02 -0.57 -4.84 117.38 117.58 1xr2 n GLN 633 Ca -0.03 -0.30 -0.41 0.00 -0.01 0.00 0.00 57.00 56.25 1xr2 n GLN 633 Cb 0.11 -1.49 -0.04 0.00 1.02 0.00 0.00 30.24 29.83 1xr2 n GLN 633 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1xr2 s LEU 634 N -2.59 4.46 -0.27 1.08 1.43 -0.48 -4.96 118.68 117.36 1xr2 s LEU 634 Ca 0.24 1.76 -0.04 0.00 -1.03 0.00 0.00 54.13 55.05 1xr2 s LEU 634 Cb 0.19 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 1xr2 s LEU 634 CO 0.53 -0.12 2.89 -0.62 0.23 0.00 0.00 176.35 179.26 1xr2 n GLU 635 N 3.09 2.11 -2.44 1.70 1.02 -1.26 -4.93 120.64 119.94 1xr2 n GLU 635 Ca 0.03 -1.68 -0.24 0.00 -0.02 0.00 0.00 57.16 55.25 1xr2 n GLU 635 Cb 0.50 -1.96 0.09 0.00 -0.02 0.00 0.00 31.44 30.04 1xr2 n GLU 635 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 1xr2 s PHE 636 N -0.79 2.27 -0.05 -0.32 -0.71 -1.26 -4.92 117.98 112.20 1xr2 s PHE 636 Ca 0.54 0.04 0.10 0.00 -1.04 0.00 0.00 56.93 56.57 1xr2 s PHE 636 Cb 0.32 -3.09 -0.15 0.00 -1.21 0.00 0.00 43.02 38.89 1xr2 s PHE 636 CO -0.11 -1.50 0.16 -0.25 -1.34 0.00 0.00 175.22 172.18 1xr2 n ASP 637 N -2.82 2.55 -3.80 1.98 8.00 0.03 -4.96 116.55 117.54 1xr2 n ASP 637 Ca 0.11 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.49 1xr2 n ASP 637 Cb 0.60 1.21 -0.11 0.00 -0.02 0.00 0.00 41.12 42.80 1xr2 n ASP 637 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xr2 s VAL 638 N -2.56 0.02 -0.07 2.53 0.11 -0.90 -2.80 120.40 116.73 1xr2 s VAL 638 Ca -0.04 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.83 1xr2 s VAL 638 Cb 0.05 -0.39 0.02 0.00 -1.53 0.00 0.00 36.38 34.53 1xr2 s VAL 638 CO 0.43 -0.11 -0.11 -0.51 -3.33 0.00 0.00 175.10 171.48 1xr2 s ILE 639 N -0.36 1.04 -0.05 7.04 2.07 -0.14 -1.02 121.20 129.78 1xr2 s ILE 639 Ca -0.05 -0.41 -0.15 0.00 -1.41 0.00 0.00 60.65 58.63 1xr2 s ILE 639 Cb -0.03 -0.98 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 1xr2 s ILE 639 CO 0.01 0.34 0.40 -0.94 -1.91 0.00 0.00 174.94 172.85 1xr2 s SER 640 N 0.85 6.73 0.24 4.50 1.04 -0.54 -0.18 113.70 126.34 1xr2 s SER 640 Ca -0.11 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.22 1xr2 s SER 640 Cb -0.15 -2.25 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 1xr2 s SER 640 CO 0.01 0.23 0.00 0.27 0.98 0.00 0.00 173.24 174.73 1xr2 s ILE 641 N -0.51 1.05 -0.45 -1.02 -4.36 0.19 -3.30 121.20 112.79 1xr2 s ILE 641 Ca 0.23 -2.03 -0.17 0.00 -0.26 0.00 0.00 60.65 58.42 1xr2 s ILE 641 Cb -0.16 -2.39 0.04 0.00 1.25 0.00 0.00 42.46 41.21 1xr2 s ILE 641 CO 0.11 -0.29 0.45 -1.61 0.24 0.00 0.00 174.94 173.84 1xr2 s GLU 642 N -3.87 3.05 0.00 0.37 2.02 -1.26 -1.19 118.70 117.82 1xr2 s GLU 642 Ca 0.29 -1.00 0.09 0.00 0.02 0.00 0.00 54.97 54.38 1xr2 s GLU 642 Cb 0.06 -4.05 0.01 0.00 0.10 0.00 0.00 34.13 30.25 1xr2 s GLU 642 CO 0.09 -0.98 0.64 0.00 0.02 0.00 0.00 175.26 175.04 1xr2 n ALA 643 N 5.56 2.74 -0.07 5.21 0.00 -0.76 -4.72 120.51 128.46 1xr2 n ALA 643 Ca -0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 1xr2 n ALA 643 Cb 0.46 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 1xr2 n ALA 643 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xr2 h SER 644 N 1.19 0.34 -0.78 0.00 4.64 -1.59 0.44 113.55 117.78 1xr2 h SER 644 Ca 0.00 -0.16 0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1xr2 h SER 644 Cb 0.33 -0.09 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1xr2 h SER 644 CO 0.00 0.41 0.49 0.03 -0.87 0.00 0.00 176.83 176.89 1xr2 h ARG 645 N 0.25 0.93 -0.13 4.77 3.08 -1.90 -1.60 114.38 119.77 1xr2 h ARG 645 Ca 0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xr2 h ARG 645 Cb 0.18 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1xr2 h ARG 645 CO -0.01 0.62 0.00 -1.13 -1.07 0.00 0.00 179.97 178.38 1xr2 n SER 646 N -4.61 1.55 -3.35 7.04 3.41 -1.21 -4.90 113.62 111.56 1xr2 n SER 646 Ca 0.09 -1.66 -0.24 0.00 -0.26 0.00 0.00 58.87 56.80 1xr2 n SER 646 Cb 0.09 -0.08 0.03 0.00 -0.26 0.00 0.00 64.21 63.99 1xr2 n SER 646 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1xr2 n LYS 647 N 0.24 -5.20 -0.41 4.33 4.76 -0.60 -1.09 118.16 120.18 1xr2 n LYS 647 Ca 0.17 0.75 0.00 0.00 -2.87 0.00 0.00 58.31 56.35 1xr2 n LYS 647 Cb 0.32 -5.62 0.00 0.00 -1.84 0.00 0.00 35.03 27.89 1xr2 n LYS 647 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xr2 n GLY 648 N -1.56 1.69 0.27 0.72 0.00 0.15 -4.51 105.19 101.94 1xr2 n GLY 648 Ca -0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1xr2 n GLY 648 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xr2 h GLU 649 N 2.86 0.00 0.00 1.61 4.57 -1.36 -0.06 114.58 122.19 1xr2 h GLU 649 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xr2 h GLU 649 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1xr2 h GLU 649 CO 0.00 0.00 0.00 1.51 -1.18 0.00 0.00 179.01 179.34 1xr2 n ILE 650 N -2.83 1.37 0.53 2.32 3.06 -1.26 -1.90 119.36 120.65 1xr2 n ILE 650 Ca -0.01 0.36 0.12 0.00 -2.50 0.00 0.00 62.75 60.72 1xr2 n ILE 650 Cb 0.14 -1.22 0.45 0.00 0.54 0.00 0.00 39.64 39.55 1xr2 n ILE 650 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1xr2 n ILE 651 N -1.56 0.70 -0.27 9.51 0.13 -0.03 -3.69 119.36 124.14 1xr2 n ILE 651 Ca 0.02 0.04 0.01 0.00 -1.10 0.00 0.00 62.75 61.72 1xr2 n ILE 651 Cb 0.10 -0.90 0.14 0.00 -0.84 0.00 0.00 39.64 38.15 1xr2 n ILE 651 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1xr2 h SER 652 N 0.00 0.61 -0.97 9.51 4.64 -1.60 -1.14 113.55 124.61 1xr2 h SER 652 Ca 0.00 0.04 0.16 0.00 -0.47 0.00 0.00 61.79 61.53 1xr2 h SER 652 Cb 0.49 -0.07 -0.09 0.00 -0.31 0.00 0.00 62.40 62.42 1xr2 h SER 652 CO 0.00 0.37 0.61 0.00 -0.87 0.00 0.00 176.83 176.93 1xr2 h ALA 653 N 1.42 1.74 0.08 5.18 0.00 -1.83 -0.98 119.26 124.86 1xr2 h ALA 653 Ca 0.36 0.04 -0.25 0.00 0.00 0.00 0.00 54.91 55.06 1xr2 h ALA 653 Cb 0.31 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1xr2 h ALA 653 CO -0.23 -0.03 -1.12 0.74 0.00 0.00 0.00 179.25 178.61 1xr2 h PHE 654 N 0.77 0.46 -0.24 0.00 0.04 -1.51 -3.13 116.94 113.34 1xr2 h PHE 654 Ca 0.51 -0.31 -0.09 0.00 2.80 0.00 0.00 57.97 60.88 1xr2 h PHE 654 Cb 0.78 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.88 1xr2 h PHE 654 CO -0.00 1.20 -0.25 0.93 -0.60 0.00 0.00 178.31 179.59 1xr2 h GLU 655 N 0.11 0.45 -0.11 1.51 5.08 -0.22 -2.77 114.58 118.63 1xr2 h GLU 655 Ca -0.10 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1xr2 h GLU 655 Cb 1.82 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.04 1xr2 h GLU 655 CO 0.18 0.67 0.00 0.09 -1.00 0.00 0.00 179.01 178.95 1xr2 n ASN 656 N -4.13 1.42 -4.40 1.42 3.02 -0.47 -4.69 115.26 107.44 1xr2 n ASN 656 Ca -0.00 -1.60 -0.44 0.00 -0.03 0.00 0.00 54.58 52.50 1xr2 n ASN 656 Cb 0.40 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 1xr2 n ASN 656 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xr2 s PHE 657 N -1.87 3.01 0.03 3.10 2.19 -1.05 -5.00 117.98 118.40 1xr2 s PHE 657 Ca 0.34 -1.02 -0.35 0.00 0.33 0.00 0.00 56.93 56.23 1xr2 s PHE 657 Cb 0.18 -4.09 -0.14 0.00 -1.31 0.00 0.00 43.02 37.66 1xr2 s PHE 657 CO 0.28 -1.37 1.61 1.17 1.83 0.00 0.00 175.22 178.75 1xr2 n LYS 658 N 6.45 1.80 -0.50 10.12 4.81 -1.26 -1.60 118.16 137.98 1xr2 n LYS 658 Ca -0.02 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 1xr2 n LYS 658 Cb 0.44 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.09 1xr2 n LYS 658 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xr2 n GLY 659 N 3.53 0.75 3.73 3.14 0.00 -1.26 -5.03 105.19 110.05 1xr2 n GLY 659 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1xr2 n GLY 659 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1xr2 s TRP 660 N -2.28 3.15 0.00 1.61 -0.11 -0.63 -4.87 118.94 115.82 1xr2 s TRP 660 Ca 0.00 0.99 0.00 0.00 1.22 0.00 0.00 56.10 58.31 1xr2 s TRP 660 Cb 0.00 -3.74 0.00 0.00 -1.50 0.00 0.00 33.47 28.23 1xr2 s TRP 660 CO 0.00 -2.50 0.04 0.44 -4.62 0.00 0.00 176.95 170.31 1xr2 n ILE 661 N 3.10 0.00 -2.75 5.86 -5.35 -1.26 -5.05 119.36 113.91 1xr2 n ILE 661 Ca 0.09 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.31 1xr2 n ILE 661 Cb 0.41 1.71 0.01 0.00 -1.74 0.00 0.00 39.64 40.03 1xr2 n ILE 661 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1xr2 s LYS 662 N 0.00 3.35 0.50 6.28 1.02 -1.26 -5.00 119.74 124.62 1xr2 s LYS 662 Ca 0.00 -0.02 -0.21 0.00 0.02 0.00 0.00 55.97 55.76 1xr2 s LYS 662 Cb 0.00 -2.42 -0.07 0.00 -0.52 0.00 0.00 37.83 34.82 1xr2 s LYS 662 CO 0.00 -0.26 1.11 -0.65 -0.92 0.00 0.00 175.35 174.63 1xr2 s GLN 663 N -4.70 3.60 -0.12 1.68 -0.21 -1.12 -4.93 119.66 113.86 1xr2 s GLN 663 Ca 0.48 1.58 0.00 0.00 0.02 0.00 0.00 55.36 57.44 1xr2 s GLN 663 Cb -0.10 -2.15 0.02 0.00 1.00 0.00 0.00 33.01 31.78 1xr2 s GLN 663 CO 0.43 -0.64 -0.11 0.42 -2.12 0.00 0.00 175.29 173.26 1xr2 s ILE 664 N -1.76 1.30 -0.65 1.08 1.01 0.55 -0.97 121.20 121.76 1xr2 s ILE 664 Ca 0.69 -0.48 -0.25 0.00 0.00 0.00 0.00 60.65 60.61 1xr2 s ILE 664 Cb -0.23 -1.25 0.05 0.00 0.01 0.00 0.00 42.46 41.04 1xr2 s ILE 664 CO 0.27 0.41 1.06 -0.83 0.00 0.00 0.00 174.94 175.85 1xr2 s GLY 665 N 1.44 1.22 -0.53 6.18 0.00 0.75 -1.38 107.32 115.01 1xr2 s GLY 665 Ca 0.02 -1.51 -0.27 0.00 0.00 0.00 0.00 44.72 42.96 1xr2 s GLY 665 CO -0.07 2.26 1.10 0.14 0.00 0.00 0.00 173.10 176.52 1xr2 s VAL 666 N 4.57 4.20 -0.14 1.40 1.01 -0.74 -0.64 120.40 130.06 1xr2 s VAL 666 Ca 0.29 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1xr2 s VAL 666 Cb -0.13 -4.62 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 1xr2 s VAL 666 CO 0.15 -1.13 1.46 -0.83 0.00 0.00 0.00 175.10 174.74 1xr2 s GLY 667 N 2.69 1.54 0.00 4.51 0.00 -0.34 -2.47 107.32 113.25 1xr2 s GLY 667 Ca 0.41 0.62 0.12 0.00 0.00 0.00 0.00 44.72 45.87 1xr2 s GLY 667 CO 0.26 2.77 1.13 3.33 0.00 0.00 0.00 173.10 180.60 1xr2 n VAL 668 N 5.58 0.65 -3.67 1.40 0.24 0.36 -1.58 118.33 121.31 1xr2 n VAL 668 Ca 0.16 -0.83 -0.19 0.00 -2.04 0.00 0.00 64.34 61.45 1xr2 n VAL 668 Cb 0.44 0.76 -0.17 0.00 -1.47 0.00 0.00 33.84 33.40 1xr2 n VAL 668 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1xr2 s TRP 669 N -0.99 -0.02 -0.54 6.34 -0.00 -1.26 -4.64 118.94 117.82 1xr2 s TRP 669 Ca 0.21 0.37 -0.26 0.00 -0.00 0.00 0.00 56.10 56.42 1xr2 s TRP 669 Cb 0.12 -0.39 -0.05 0.00 -0.00 0.00 0.00 33.47 33.14 1xr2 s TRP 669 CO 0.16 -0.21 2.19 0.34 -0.00 0.00 0.00 176.95 179.43 1xr2 s ASP 670 N 2.15 4.76 0.00 5.86 -1.08 -1.26 -1.94 116.67 125.16 1xr2 s ASP 670 Ca 0.04 0.78 0.11 0.00 -0.52 0.00 0.00 52.55 52.95 1xr2 s ASP 670 Cb -0.12 -2.51 0.64 0.00 -1.46 0.00 0.00 42.92 39.47 1xr2 s ASP 670 CO -0.04 -2.69 1.09 2.30 0.52 0.00 0.00 175.17 176.35 1xr2 n ILE 671 N 7.69 0.02 1.00 4.11 -6.64 -1.26 -1.97 119.36 122.31 1xr2 n ILE 671 Ca 0.30 0.01 0.11 0.00 -1.77 0.00 0.00 62.75 61.40 1xr2 n ILE 671 Cb 0.54 -0.84 0.01 0.00 -1.44 0.00 0.00 39.64 37.91 1xr2 n ILE 671 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1xr2 n HIS 672 N -1.01 0.00 -4.86 4.28 8.25 -1.26 -4.75 115.22 115.87 1xr2 n HIS 672 Ca 0.08 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.21 1xr2 n HIS 672 Cb 0.04 -0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.01 1xr2 n HIS 672 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xr2 s SER 673 N -2.44 4.03 0.48 0.41 0.15 -0.83 -5.01 113.70 110.49 1xr2 s SER 673 Ca 0.19 -0.23 0.27 0.00 0.70 0.00 0.00 55.95 56.89 1xr2 s SER 673 Cb 0.18 -1.05 0.78 0.00 -1.71 0.00 0.00 66.02 64.22 1xr2 s SER 673 CO 0.55 0.30 1.77 1.55 1.20 0.00 0.00 173.24 178.61 1xr2 h PRO 674 N 5.69 0.00 -6.26 5.44 0.13 -1.91 -3.45 132.00 131.65 1xr2 h PRO 674 Ca -0.41 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.16 1xr2 h PRO 674 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1xr2 h PRO 674 CO 0.52 0.02 1.13 0.00 -0.23 0.00 0.00 178.00 179.44 1xr2 s ALA 675 N -3.41 3.40 0.24 -0.56 0.00 -1.26 -4.86 121.76 115.32 1xr2 s ALA 675 Ca 0.04 0.70 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 1xr2 s ALA 675 Cb 0.07 -3.81 -0.11 0.00 0.00 0.00 0.00 23.12 19.27 1xr2 s ALA 675 CO 0.62 -1.74 1.58 0.08 0.00 0.00 0.00 175.76 176.30 1xr2 s VAL 676 N 4.83 2.30 0.42 0.00 1.01 -1.26 -4.98 120.40 122.71 1xr2 s VAL 676 Ca 0.74 0.23 -0.18 0.00 0.00 0.00 0.00 61.98 62.77 1xr2 s VAL 676 Cb -0.29 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 1xr2 s VAL 676 CO 0.30 0.03 0.90 -2.84 0.00 0.00 0.00 175.10 173.49 1xr2 s PRO 677 N 0.13 4.11 0.18 2.72 0.02 -1.26 -5.05 135.00 135.85 1xr2 s PRO 677 Ca 0.66 0.97 -0.19 0.00 0.02 0.00 0.00 61.00 62.45 1xr2 s PRO 677 Cb -0.46 -2.23 -0.08 0.00 0.02 0.00 0.00 34.50 31.75 1xr2 s PRO 677 CO 0.41 -0.03 0.67 -1.54 -0.33 0.00 0.00 177.00 176.18 1xr2 s SER 678 N -2.40 7.03 0.40 2.53 1.04 -1.26 -4.92 113.70 116.12 1xr2 s SER 678 Ca 0.59 1.34 0.18 0.00 0.48 0.00 0.00 55.95 58.55 1xr2 s SER 678 Cb -0.09 -2.39 1.10 0.00 0.10 0.00 0.00 66.02 64.74 1xr2 s SER 678 CO 0.18 0.09 1.77 0.40 0.98 0.00 0.00 173.24 176.67 1xr2 h ILE 679 N 2.90 0.53 -0.40 -1.02 2.04 -1.97 0.47 117.51 120.06 1xr2 h ILE 679 Ca -0.48 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1xr2 h ILE 679 Cb 1.20 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1xr2 h ILE 679 CO 0.65 0.07 0.02 0.78 0.00 0.00 0.00 178.15 179.67 1xr2 h ASN 680 N 0.39 0.60 -0.25 1.72 4.21 -1.96 -0.68 115.58 119.61 1xr2 h ASN 680 Ca 0.59 -0.12 -0.17 0.00 1.21 0.00 0.00 56.30 57.80 1xr2 h ASN 680 Cb 1.49 -0.16 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 1xr2 h ASN 680 CO -0.29 0.66 -0.52 1.05 -1.29 0.00 0.00 177.43 177.04 1xr2 h GLU 681 N 0.60 0.80 -0.19 0.81 -0.00 -0.46 -2.77 114.58 113.38 1xr2 h GLU 681 Ca 0.13 -0.52 -0.12 0.00 -0.00 0.00 0.00 59.36 58.84 1xr2 h GLU 681 Cb 0.36 0.07 -0.01 0.00 -0.00 0.00 0.00 28.75 29.17 1xr2 h GLU 681 CO 0.01 1.15 -0.40 0.52 -0.00 0.00 0.00 179.01 180.29 1xr2 h MET 682 N 0.56 0.43 -0.57 1.06 2.07 -1.22 -2.87 114.93 114.39 1xr2 h MET 682 Ca 0.01 -0.21 -0.03 0.00 -2.07 0.00 0.00 59.70 57.40 1xr2 h MET 682 Cb 1.13 -0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.83 1xr2 h MET 682 CO 0.12 0.76 0.23 0.00 1.07 0.00 0.00 176.91 179.09 1xr2 h ARG 683 N 0.36 0.82 -0.69 1.72 2.47 -1.04 -1.83 114.38 116.19 1xr2 h ARG 683 Ca 0.03 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1xr2 h ARG 683 Cb 0.86 -0.15 -0.03 0.00 -1.65 0.00 0.00 29.97 29.00 1xr2 h ARG 683 CO 0.07 0.67 0.41 1.05 0.56 0.00 0.00 179.97 182.73 1xr2 h GLU 684 N 0.81 0.94 -0.26 0.04 -0.00 -1.26 0.12 114.58 114.97 1xr2 h GLU 684 Ca 0.20 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.36 59.45 1xr2 h GLU 684 Cb 0.15 -0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 28.69 1xr2 h GLU 684 CO -0.02 0.68 0.10 0.82 -0.00 0.00 0.00 179.01 180.58 1xr2 h ILE 685 N 0.94 1.18 -0.29 -1.06 2.04 -1.32 -1.89 117.51 117.11 1xr2 h ILE 685 Ca 0.25 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 1xr2 h ILE 685 Cb -0.02 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1xr2 h ILE 685 CO -0.05 0.18 -0.27 0.58 0.00 0.00 0.00 178.15 178.60 1xr2 h VAL 686 N 0.26 1.27 -0.47 1.67 2.07 -1.16 -2.26 116.25 117.64 1xr2 h VAL 686 Ca 0.09 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.20 1xr2 h VAL 686 Cb 0.19 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1xr2 h VAL 686 CO -0.01 0.43 0.02 -0.33 0.02 0.00 0.00 177.57 177.70 1xr2 h GLU 687 N 0.51 0.77 -0.10 1.57 3.07 -0.85 -2.34 114.58 117.20 1xr2 h GLU 687 Ca 0.07 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.72 1xr2 h GLU 687 Cb 0.73 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1xr2 h GLU 687 CO 0.06 0.77 0.02 -0.09 -1.40 0.00 0.00 179.01 178.36 1xr2 h ARG 688 N 0.72 0.17 0.00 2.33 9.65 -0.99 -3.13 114.38 123.13 1xr2 h ARG 688 Ca 0.15 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1xr2 h ARG 688 Cb 0.42 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1xr2 h ARG 688 CO 0.02 0.35 -0.25 -0.39 2.80 0.00 0.00 179.97 182.50 1xr2 h VAL 689 N -0.04 0.92 -0.89 0.20 -1.51 -1.25 -2.99 116.25 110.69 1xr2 h VAL 689 Ca 0.03 -0.94 -0.42 0.00 -1.23 0.00 0.00 66.70 64.14 1xr2 h VAL 689 Cb 0.26 1.55 -0.25 0.00 -2.13 0.00 0.00 31.29 30.72 1xr2 h VAL 689 CO 0.00 0.24 0.53 0.00 -1.23 0.00 0.00 177.57 177.12 1xr2 n LEU 690 N -3.87 6.42 0.19 4.19 -0.00 -0.89 -3.91 117.00 119.13 1xr2 n LEU 690 Ca -0.02 -3.40 0.11 0.00 -0.00 0.00 0.00 56.01 52.70 1xr2 n LEU 690 Cb 0.34 -0.80 0.13 0.00 -0.00 0.00 0.00 43.42 43.08 1xr2 n LEU 690 CO 0.35 0.96 0.65 0.08 -0.00 0.00 0.00 177.39 179.42 1xr2 h ARG 691 N 1.41 0.00 0.00 1.47 0.11 -1.53 -3.41 114.38 112.43 1xr2 h ARG 691 Ca 0.51 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.59 1xr2 h ARG 691 Cb 2.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.74 1xr2 h ARG 691 CO 0.97 0.06 -0.52 0.28 0.10 0.00 0.00 179.97 180.86 1xr2 n VAL 692 N -3.05 0.00 -2.24 0.08 0.31 -1.26 -5.09 118.33 107.08 1xr2 n VAL 692 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.96 1xr2 n VAL 692 Cb 0.56 -0.91 -0.02 0.00 -0.91 0.00 0.00 33.84 32.56 1xr2 n VAL 692 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1xr2 s LEU 693 N -5.31 4.36 0.38 7.52 1.43 -1.25 -4.97 118.68 120.83 1xr2 s LEU 693 Ca 0.00 2.49 -0.26 0.00 -1.03 0.00 0.00 54.13 55.33 1xr2 s LEU 693 Cb 0.00 -3.79 -0.11 0.00 0.03 0.00 0.00 46.19 42.32 1xr2 s LEU 693 CO 0.00 -0.53 1.13 -2.65 0.23 0.00 0.00 176.35 174.53 1xr2 n PRO 694 N 0.59 1.66 0.28 1.29 -0.02 -1.26 -4.66 135.00 132.88 1xr2 n PRO 694 Ca 0.01 0.59 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1xr2 n PRO 694 Cb 0.44 -2.14 0.82 0.00 -0.02 0.00 0.00 33.50 32.59 1xr2 n PRO 694 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1xr2 h LYS 695 N 1.99 0.00 0.00 -0.52 2.10 -1.93 -2.63 116.57 115.58 1xr2 h LYS 695 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1xr2 h LYS 695 Cb 1.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 1xr2 h LYS 695 CO 0.60 0.07 0.00 -0.85 -2.00 0.00 0.00 179.45 177.27 1xr2 n GLU 696 N -3.47 0.01 0.10 0.07 0.00 -1.26 -3.00 120.64 113.08 1xr2 n GLU 696 Ca -0.02 0.17 0.12 0.00 0.00 0.00 0.00 57.16 57.43 1xr2 n GLU 696 Cb 0.21 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.25 1xr2 n GLU 696 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1xr2 h LEU 697 N 0.00 0.00 -9.25 -1.84 3.38 -1.82 -3.48 115.31 102.30 1xr2 h LEU 697 Ca 0.00 -0.09 -0.57 0.00 0.09 0.00 0.00 57.88 57.31 1xr2 h LEU 697 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1xr2 h LEU 697 CO 0.00 0.05 0.35 -0.63 0.09 0.00 0.00 178.44 178.29 1xr2 s ILE 698 N -3.25 4.90 0.24 1.22 -1.09 -1.16 -0.33 121.20 121.72 1xr2 s ILE 698 Ca 0.04 1.70 0.09 0.00 -2.23 0.00 0.00 60.65 60.24 1xr2 s ILE 698 Cb 0.11 -4.16 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1xr2 s ILE 698 CO 0.74 0.09 0.03 0.26 -1.23 0.00 0.00 174.94 174.83 1xr2 s TRP 699 N 1.70 2.81 -0.10 3.97 0.52 -0.48 -3.94 118.94 123.42 1xr2 s TRP 699 Ca 0.41 -0.18 0.02 0.00 0.02 0.00 0.00 56.10 56.38 1xr2 s TRP 699 Cb -0.18 -1.28 -0.01 0.00 -1.15 0.00 0.00 33.47 30.86 1xr2 s TRP 699 CO 0.16 0.57 -0.19 0.42 0.02 0.00 0.00 176.95 177.94 1xr2 s ILE 700 N -2.12 2.53 0.22 2.03 -1.09 0.32 -1.79 121.20 121.29 1xr2 s ILE 700 Ca 0.30 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 57.64 1xr2 s ILE 700 Cb -0.07 -2.01 0.06 0.00 -1.58 0.00 0.00 42.46 38.85 1xr2 s ILE 700 CO 0.20 0.55 0.91 0.54 -1.23 0.00 0.00 174.94 175.92 1xr2 s ASN 701 N 0.23 -0.12 0.75 3.58 4.22 -1.03 -2.02 114.94 120.54 1xr2 s ASN 701 Ca -0.12 -0.61 -0.11 0.00 -2.14 0.00 0.00 52.86 49.87 1xr2 s ASN 701 Cb -0.16 0.58 0.04 0.00 1.28 0.00 0.00 41.25 42.99 1xr2 s ASN 701 CO 0.07 -1.11 1.09 -2.16 -2.04 0.00 0.00 177.10 172.95 1xr2 s PRO 702 N -2.99 2.49 0.08 3.55 0.04 -1.26 -0.49 135.00 136.41 1xr2 s PRO 702 Ca 0.15 0.58 -0.33 0.00 0.04 0.00 0.00 61.00 61.43 1xr2 s PRO 702 Cb -0.03 -1.97 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 1xr2 s PRO 702 CO 0.05 -1.32 1.51 -0.44 0.04 0.00 0.00 177.00 176.84 1xr2 h ASP 703 N -0.87 -1.29 0.00 6.66 3.45 -1.65 -3.40 116.42 119.32 1xr2 h ASP 703 Ca -0.46 0.11 0.00 0.00 0.43 0.00 0.00 57.03 57.11 1xr2 h ASP 703 Cb 1.26 0.43 0.00 0.00 -0.56 0.00 0.00 39.33 40.46 1xr2 h ASP 703 CO 0.61 -0.61 0.00 0.00 -1.57 0.00 0.00 179.24 177.67 1xr2 n GLY 705 N 0.00 -1.32 0.11 0.00 0.00 -1.26 -4.64 105.19 98.08 1xr2 n GLY 705 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 46.02 45.44 1xr2 n GLY 705 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xr2 n LEU 706 N -1.70 1.67 0.26 0.99 7.99 -0.56 -4.75 117.00 120.90 1xr2 n LEU 706 Ca 0.09 -1.48 0.12 0.00 -0.01 0.00 0.00 56.01 54.73 1xr2 n LEU 706 Cb 0.52 -0.02 0.69 0.00 -0.11 0.00 0.00 43.42 44.50 1xr2 n LEU 706 CO 0.50 0.40 0.97 0.50 -1.51 0.00 0.00 177.39 178.25 1xr2 h LYS 707 N 0.44 0.00 -0.11 3.23 3.64 -1.67 -2.46 116.57 119.64 1xr2 h LYS 707 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1xr2 h LYS 707 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1xr2 h LYS 707 CO 0.00 0.13 0.00 0.25 -2.27 0.00 0.00 179.45 177.56 1xr2 n THR 708 N -3.76 0.14 -3.49 1.00 -2.24 -1.26 -4.33 114.28 100.34 1xr2 n THR 708 Ca -0.02 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 1xr2 n THR 708 Cb 0.24 0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1xr2 n THR 708 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1xr2 s ARG 709 N -1.86 2.58 0.07 -0.78 6.06 -0.93 -5.08 118.95 119.01 1xr2 s ARG 709 Ca 0.33 -1.49 0.02 0.00 -2.50 0.00 0.00 55.73 52.09 1xr2 s ARG 709 Cb 0.17 -2.43 -0.04 0.00 0.06 0.00 0.00 34.95 32.71 1xr2 s ARG 709 CO 0.27 -0.20 0.10 -0.80 -2.50 0.00 0.00 175.30 172.17 1xr2 s ASN 710 N -4.16 5.66 0.38 -2.12 0.01 -1.26 -4.64 114.94 108.81 1xr2 s ASN 710 Ca 0.49 0.04 0.10 0.00 -0.71 0.00 0.00 52.86 52.78 1xr2 s ASN 710 Cb -0.04 -1.57 0.87 0.00 0.41 0.00 0.00 41.25 40.92 1xr2 s ASN 710 CO 0.29 0.18 1.90 -0.50 -1.51 0.00 0.00 177.10 177.46 1xr2 h TRP 711 N 3.33 0.71 0.00 2.20 4.06 -1.96 -0.67 115.95 123.63 1xr2 h TRP 711 Ca -0.47 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1xr2 h TRP 711 Cb 1.16 -0.23 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 1xr2 h TRP 711 CO 0.61 0.29 0.00 -0.40 -3.56 0.00 0.00 178.44 175.38 1xr2 n ASP 712 N -4.52 0.00 -0.09 -3.49 5.75 -1.26 -1.60 116.55 111.35 1xr2 n ASP 712 Ca 0.15 0.27 -0.09 0.00 -0.01 0.00 0.00 54.79 55.11 1xr2 n ASP 712 Cb 0.43 -0.41 -0.15 0.00 -1.03 0.00 0.00 41.12 39.96 1xr2 n ASP 712 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1xr2 n GLU 713 N -1.41 0.97 0.07 0.11 1.02 -0.36 -4.48 120.64 116.56 1xr2 n GLU 713 Ca 0.08 -0.01 -0.08 0.00 -0.02 0.00 0.00 57.16 57.12 1xr2 n GLU 713 Cb 0.22 -1.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 1xr2 n GLU 713 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xr2 h VAL 714 N 0.00 0.46 -0.72 2.62 2.07 -1.04 -3.11 116.25 116.53 1xr2 h VAL 714 Ca -0.49 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1xr2 h VAL 714 Cb 2.11 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 1xr2 h VAL 714 CO 0.03 0.13 -0.45 0.40 0.02 0.00 0.00 177.57 177.70 1xr2 h ILE 715 N -0.99 0.00 -0.74 4.57 5.03 -1.55 0.24 117.51 124.07 1xr2 h ILE 715 Ca -0.03 0.00 0.03 0.00 -0.12 0.00 0.00 64.86 64.75 1xr2 h ILE 715 Cb 0.42 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 34.16 1xr2 h ILE 715 CO 0.04 0.00 0.47 1.55 -0.68 0.00 0.00 178.15 179.53 1xr2 h PRO 716 N -0.03 0.88 -0.43 2.37 0.13 -1.79 -1.02 132.00 132.11 1xr2 h PRO 716 Ca 0.12 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 65.22 1xr2 h PRO 716 Cb 0.33 -0.20 -0.03 0.00 0.13 0.00 0.00 31.00 31.23 1xr2 h PRO 716 CO -0.69 0.58 0.24 0.77 -0.23 0.00 0.00 178.00 178.67 1xr2 h SER 717 N 0.90 0.37 -0.45 1.44 0.02 -0.99 0.66 113.55 115.49 1xr2 h SER 717 Ca 0.30 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.20 1xr2 h SER 717 Cb 0.03 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1xr2 h SER 717 CO -0.12 0.26 0.08 -0.07 -1.14 0.00 0.00 176.83 175.85 1xr2 h LEU 718 N 0.48 0.77 -0.06 5.07 4.07 -0.27 -1.28 115.31 124.08 1xr2 h LEU 718 Ca 0.18 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.98 1xr2 h LEU 718 Cb 0.05 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 1xr2 h LEU 718 CO -0.10 0.78 0.02 -0.09 -1.08 0.00 0.00 178.44 177.97 1xr2 h ARG 719 N 0.78 0.09 -0.01 1.13 2.43 -0.54 -0.71 114.38 117.54 1xr2 h ARG 719 Ca 0.16 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 1xr2 h ARG 719 Cb 0.35 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1xr2 h ARG 719 CO 0.01 0.26 -0.02 -0.91 -1.51 0.00 0.00 179.97 177.80 1xr2 h ASN 720 N -0.10 0.01 -0.15 -3.80 4.21 -0.63 -0.60 115.58 114.52 1xr2 h ASN 720 Ca 0.02 -0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.45 1xr2 h ASN 720 Cb 0.21 -0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1xr2 h ASN 720 CO -0.00 0.04 -0.22 -0.03 -1.29 0.00 0.00 177.43 175.92 1xr2 h MET 721 N 0.01 0.41 -0.65 0.81 4.05 -0.74 -2.38 114.93 116.44 1xr2 h MET 721 Ca 0.00 -0.25 -0.07 0.00 -0.28 0.00 0.00 59.70 59.11 1xr2 h MET 721 Cb 0.05 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1xr2 h MET 721 CO 0.00 0.83 0.14 0.28 0.23 0.00 0.00 176.91 178.39 1xr2 h VAL 722 N 0.03 1.26 0.26 -5.77 2.07 -0.43 -2.13 116.25 111.52 1xr2 h VAL 722 Ca 0.01 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1xr2 h VAL 722 Cb 0.79 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1xr2 h VAL 722 CO 0.05 0.36 -0.12 0.00 0.02 0.00 0.00 177.57 177.88 1xr2 h ALA 723 N 1.16 -0.35 -0.79 1.67 0.00 -1.12 -2.34 119.26 117.49 1xr2 h ALA 723 Ca 0.20 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1xr2 h ALA 723 Cb 0.38 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1xr2 h ALA 723 CO 0.00 -0.68 0.51 1.25 0.00 0.00 0.00 179.25 180.34 1xr2 h LEU 724 N -0.39 0.63 -0.15 0.00 7.12 -1.33 -0.74 115.31 120.46 1xr2 h LEU 724 Ca -0.04 0.02 0.03 0.00 0.13 0.00 0.00 57.88 58.02 1xr2 h LEU 724 Cb 0.30 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.29 1xr2 h LEU 724 CO 0.06 0.37 -0.03 0.00 -0.13 0.00 0.00 178.44 178.71 1xr2 h ALA 725 N 1.61 0.10 -0.46 1.25 0.00 -0.87 -0.31 119.26 120.58 1xr2 h ALA 725 Ca 0.37 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.31 1xr2 h ALA 725 Cb 0.49 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1xr2 h ALA 725 CO -0.14 -0.47 0.23 0.87 0.00 0.00 0.00 179.25 179.73 1xr2 h LYS 726 N 0.01 0.66 -0.93 0.00 1.57 -0.74 -2.45 116.57 114.68 1xr2 h LYS 726 Ca 0.07 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1xr2 h LYS 726 Cb 0.10 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 1xr2 h LYS 726 CO -0.14 0.56 0.59 0.93 -0.57 0.00 0.00 179.45 180.82 1xr2 h GLU 727 N 0.60 1.04 -0.40 3.15 5.08 -0.89 -0.82 114.58 122.34 1xr2 h GLU 727 Ca 0.16 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1xr2 h GLU 727 Cb 0.11 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1xr2 h GLU 727 CO -0.02 0.69 0.27 0.52 -1.00 0.00 0.00 179.01 179.47 1xr2 h MET 728 N 1.07 0.31 0.00 2.33 2.86 -0.58 -3.51 114.93 117.41 1xr2 h MET 728 Ca 0.41 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.03 1xr2 h MET 728 Cb 0.18 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1xr2 h MET 728 CO -0.18 0.21 0.00 0.54 1.06 0.00 0.00 176.91 178.54