#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oux n GLU 8 N 0.00 0.00 -0.10 3.49 0.00 -1.26 -2.67 120.64 120.09 2oux n GLU 8 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 2oux n GLU 8 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.39 2oux n GLU 8 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2oux h GLU 9 N 0.00 -0.35 -0.35 3.44 4.81 -2.06 -0.95 114.58 119.12 2oux h GLU 9 Ca 0.00 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2oux h GLU 9 Cb 0.00 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 2oux h GLU 9 CO 0.00 -0.23 0.05 1.96 -0.73 0.00 0.00 179.01 180.06 2oux h GLN 10 N -0.36 0.16 -1.00 1.92 1.08 -1.96 -2.16 115.11 112.79 2oux h GLN 10 Ca 0.12 -0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.37 2oux h GLN 10 Cb 0.59 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.92 2oux h GLN 10 CO -0.54 0.10 0.65 0.74 -0.95 0.00 0.00 178.83 178.83 2oux h PHE 11 N 0.16 1.21 -0.47 2.96 -1.00 -1.70 -0.70 116.94 117.40 2oux h PHE 11 Ca 0.17 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.98 2oux h PHE 11 Cb 0.20 -0.40 -0.02 0.00 3.61 0.00 0.00 35.95 39.34 2oux h PHE 11 CO -0.20 0.65 0.30 0.00 -1.61 0.00 0.00 178.31 177.45 2oux h ALA 12 N 1.43 0.60 -0.43 2.45 0.00 -0.57 0.27 119.26 123.01 2oux h ALA 12 Ca 0.42 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2oux h ALA 12 Cb 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2oux h ALA 12 CO -0.15 0.07 0.14 -0.07 0.00 0.00 0.00 179.25 179.24 2oux h LEU 13 N 0.63 0.62 -0.35 0.00 4.07 -1.00 -2.51 115.31 116.77 2oux h LEU 13 Ca 0.17 -0.20 0.04 0.00 0.08 0.00 0.00 57.88 57.97 2oux h LEU 13 Cb -0.03 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.51 2oux h LEU 13 CO -0.03 0.65 0.14 0.25 -1.08 0.00 0.00 178.44 178.36 2oux h LEU 14 N 0.55 0.17 -1.40 1.67 6.46 -0.57 -1.74 115.31 120.44 2oux h LEU 14 Ca 0.14 0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 2oux h LEU 14 Cb 0.25 0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 2oux h LEU 14 CO -0.01 0.13 0.44 -0.07 -0.62 0.00 0.00 178.44 178.32 2oux h LEU 15 N 0.29 0.66 -0.19 2.25 3.38 -0.33 -1.57 115.31 119.81 2oux h LEU 15 Ca 0.15 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 2oux h LEU 15 Cb 0.11 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2oux h LEU 15 CO -0.14 0.45 -0.28 -0.33 0.09 0.00 0.00 178.44 178.22 2oux h GLU 16 N 0.76 0.52 -0.01 1.13 4.39 -0.95 -0.85 114.58 119.58 2oux h GLU 16 Ca 0.27 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2oux h GLU 16 Cb 0.13 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2oux h GLU 16 CO -0.08 0.91 -0.15 1.79 -1.16 0.00 0.00 179.01 180.31 2oux h THR 17 N 0.17 1.12 0.21 1.13 1.35 -1.02 0.65 112.91 116.52 2oux h THR 17 Ca 0.02 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.32 2oux h THR 17 Cb 0.86 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2oux h THR 17 CO 0.06 0.16 -0.10 0.25 -0.25 0.00 0.00 175.52 175.64 2oux h LEU 18 N 0.01 -0.23 0.03 3.87 5.85 -1.06 0.14 115.31 123.91 2oux h LEU 18 Ca 0.00 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 2oux h LEU 18 Cb 0.28 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2oux h LEU 18 CO 0.02 0.14 -0.01 0.11 -0.34 0.00 0.00 178.44 178.36 2oux h LYS 19 N -0.64 -0.04 0.00 1.25 1.57 -0.72 -1.20 116.57 116.79 2oux h LYS 19 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2oux h LYS 19 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2oux h LYS 19 CO 0.05 0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.06 2oux n ASN 20 N -5.08 0.00 -4.02 0.86 5.03 0.18 -4.83 115.26 107.42 2oux n ASN 20 Ca -0.07 -0.52 -0.28 0.00 0.87 0.00 0.00 54.58 54.58 2oux n ASN 20 Cb 0.07 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.81 2oux n ASN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2oux n GLN 21 N -0.76 -3.33 -3.55 3.52 6.02 -0.45 -5.03 117.38 113.80 2oux n GLN 21 Ca 0.04 0.40 -0.28 0.00 -0.01 0.00 0.00 57.00 57.15 2oux n GLN 21 Cb 0.02 -4.68 -0.03 0.00 1.02 0.00 0.00 30.24 26.57 2oux n GLN 21 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2oux s GLN 22 N -6.65 3.57 0.00 -1.09 -0.21 0.43 -5.04 119.66 110.68 2oux s GLN 22 Ca 0.19 -0.19 0.00 0.00 0.02 0.00 0.00 55.36 55.39 2oux s GLN 22 Cb -0.10 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.15 2oux s GLN 22 CO 0.90 0.33 0.00 0.09 -2.12 0.00 0.00 175.29 174.48 2oux n ASN 24 N -0.74 0.00 -0.18 5.90 3.02 -1.26 -0.88 115.26 121.12 2oux n ASN 24 Ca -0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.43 2oux n ASN 24 Cb 0.54 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.72 2oux n ASN 24 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2oux h GLU 25 N 0.00 0.85 0.57 3.52 4.22 -1.97 -1.90 114.58 119.87 2oux h GLU 25 Ca 0.00 -0.23 -0.02 0.00 0.08 0.00 0.00 59.36 59.19 2oux h GLU 25 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2oux h GLU 25 CO 0.00 0.84 -0.37 0.35 -2.18 0.00 0.00 179.01 177.65 2oux h PHE 26 N 0.73 -0.97 -0.49 0.92 3.57 -1.31 -2.40 116.94 116.99 2oux h PHE 26 Ca 0.16 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.75 2oux h PHE 26 Cb 0.40 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 2oux h PHE 26 CO 0.03 -0.55 -0.07 0.00 -2.23 0.00 0.00 178.31 175.49 2oux h ARG 27 N -0.89 0.04 -0.37 1.11 3.08 -1.79 0.16 114.38 115.72 2oux h ARG 27 Ca -0.07 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.04 2oux h ARG 27 Cb 0.73 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.72 2oux h ARG 27 CO 0.06 0.03 0.04 0.93 -1.07 0.00 0.00 179.97 179.96 2oux h GLU 28 N 0.05 0.14 0.45 0.04 5.08 -1.24 0.47 114.58 119.56 2oux h GLU 28 Ca 0.24 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 2oux h GLU 28 Cb 0.37 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2oux h GLU 28 CO -0.47 0.09 -0.22 -0.07 -1.00 0.00 0.00 179.01 177.35 2oux h LEU 29 N 0.15 -0.51 -0.25 1.33 3.38 -0.87 -2.89 115.31 115.64 2oux h LEU 29 Ca 0.18 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2oux h LEU 29 Cb 0.23 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 2oux h LEU 29 CO -0.27 -0.11 -0.25 0.15 0.09 0.00 0.00 178.44 178.05 2oux h PHE 30 N -1.02 -0.66 0.00 1.13 3.57 -0.67 -0.25 116.94 119.05 2oux h PHE 30 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2oux h PHE 30 Cb 0.57 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.64 2oux h PHE 30 CO 0.02 -0.32 0.00 1.28 -2.23 0.00 0.00 178.31 177.05 2oux n LEU 31 N -5.38 0.00 0.07 0.59 4.32 0.15 -1.32 117.00 115.43 2oux n LEU 31 Ca -0.01 0.38 0.12 0.00 -0.02 0.00 0.00 56.01 56.48 2oux n LEU 31 Cb 0.30 -0.38 0.14 0.00 -1.62 0.00 0.00 43.42 41.85 2oux n LEU 31 CO 0.14 -0.23 0.29 0.00 -1.22 0.00 0.00 177.39 176.37 2oux h ALA 32 N 2.50 0.57 -2.24 -1.18 0.00 -0.81 -3.46 119.26 114.64 2oux h ALA 32 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 2oux h ALA 32 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2oux h ALA 32 CO 0.00 0.00 0.24 -0.51 0.00 0.00 0.00 179.25 178.98 2oux s LEU 33 N -4.48 4.07 0.50 0.00 1.43 -0.44 -5.04 118.68 114.73 2oux s LEU 33 Ca 0.05 1.56 -0.22 0.00 -1.03 0.00 0.00 54.13 54.49 2oux s LEU 33 Cb 0.12 -4.23 -0.06 0.00 0.03 0.00 0.00 46.19 42.05 2oux s LEU 33 CO 0.73 -0.23 1.20 -2.28 0.23 0.00 0.00 176.35 176.01 2oux s HIS 34 N -1.98 2.69 0.56 0.29 5.65 -1.26 -4.75 115.29 116.49 2oux s HIS 34 Ca 0.56 1.50 0.30 0.00 0.25 0.00 0.00 55.06 57.67 2oux s HIS 34 Cb -0.11 -3.46 1.46 0.00 -1.18 0.00 0.00 32.58 29.28 2oux s HIS 34 CO 0.17 -1.86 1.89 -0.84 -0.65 0.00 0.00 174.74 173.45 2oux h ILE 35 N 1.62 0.47 -0.17 0.89 3.07 -1.94 0.69 117.51 122.14 2oux h ILE 35 Ca -0.50 0.00 -0.18 0.00 1.55 0.00 0.00 64.86 65.73 2oux h ILE 35 Cb 1.26 0.58 -0.00 0.00 -0.27 0.00 0.00 36.82 38.40 2oux h ILE 35 CO 0.59 0.00 -0.64 0.22 -1.05 0.00 0.00 178.15 177.27 2oux h TYR 36 N 0.00 0.82 -0.16 0.16 3.20 -1.93 -1.49 116.97 117.57 2oux h TYR 36 Ca 0.32 -0.32 -0.15 0.00 3.14 0.00 0.00 58.73 61.72 2oux h TYR 36 Cb 1.45 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.57 2oux h TYR 36 CO 0.00 1.10 -0.53 0.93 -1.64 0.00 0.00 178.16 178.02 2oux h GLU 37 N 0.46 0.46 -0.96 1.82 5.08 -1.28 -2.30 114.58 117.87 2oux h GLU 37 Ca -0.01 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.08 2oux h GLU 37 Cb 1.22 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 2oux h GLU 37 CO 0.12 0.87 0.63 1.96 -1.00 0.00 0.00 179.01 181.60 2oux h GLN 38 N 0.36 1.24 -0.59 2.33 4.20 -1.01 -0.71 115.11 120.93 2oux h GLN 38 Ca 0.01 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 2oux h GLN 38 Cb 1.04 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 2oux h GLN 38 CO 0.09 0.82 0.13 0.78 -0.67 0.00 0.00 178.83 179.99 2oux h GLY 39 N 1.28 1.02 0.86 3.46 0.00 -0.90 -1.24 103.07 107.56 2oux h GLY 39 Ca 0.36 -0.65 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2oux h GLY 39 CO -0.09 0.61 0.03 1.46 0.00 0.00 0.00 176.54 178.55 2oux h GLN 40 N 0.85 0.43 0.14 4.80 1.08 -0.91 -0.06 115.11 121.45 2oux h GLN 40 Ca 0.18 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 2oux h GLN 40 Cb 0.37 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 2oux h GLN 40 CO 0.00 0.57 -0.27 0.35 -0.95 0.00 0.00 178.83 178.54 2oux h PHE 41 N 0.23 -0.71 -0.90 2.96 3.57 -1.07 -2.56 116.94 118.47 2oux h PHE 41 Ca 0.08 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.66 2oux h PHE 41 Cb 0.36 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.33 2oux h PHE 41 CO 0.03 -0.37 0.58 -0.92 -2.23 0.00 0.00 178.31 175.40 2oux h TYR 42 N -0.49 1.02 0.00 0.41 5.03 -1.11 -1.28 116.97 120.55 2oux h TYR 42 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.36 2oux h TYR 42 Cb 0.50 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.45 2oux h TYR 42 CO -0.23 0.52 0.00 1.04 -1.32 0.00 0.00 178.16 178.17 2oux n GLN 43 N -4.50 0.85 -0.06 1.82 6.02 -0.04 -2.73 117.38 118.74 2oux n GLN 43 Ca 0.14 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.12 2oux n GLN 43 Cb 0.23 -1.43 -0.15 0.00 1.02 0.00 0.00 30.24 29.91 2oux n GLN 43 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2oux n SER 44 N -0.93 0.40 -4.76 1.08 3.41 -0.49 -5.00 113.62 107.34 2oux n SER 44 Ca 0.17 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.41 2oux n SER 44 Cb 0.08 1.38 0.02 0.00 -0.26 0.00 0.00 64.21 65.43 2oux n SER 44 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2oux s LEU 45 N -4.94 3.89 0.90 1.04 1.43 -1.11 -5.03 118.68 114.86 2oux s LEU 45 Ca -0.08 2.56 -0.14 0.00 -1.03 0.00 0.00 54.13 55.44 2oux s LEU 45 Cb 0.09 -4.29 0.14 0.00 0.03 0.00 0.00 46.19 42.16 2oux s LEU 45 CO 0.80 -1.33 1.22 1.51 0.23 0.00 0.00 176.35 178.78 2oux s ASP 46 N -1.16 3.70 0.47 2.29 3.84 -1.26 -4.81 116.67 119.74 2oux s ASP 46 Ca 0.69 0.62 0.14 0.00 -0.00 0.00 0.00 52.55 54.01 2oux s ASP 46 Cb -0.35 -0.96 1.12 0.00 -1.38 0.00 0.00 42.92 41.35 2oux s ASP 46 CO 0.42 -2.40 2.07 -0.08 -0.00 0.00 0.00 175.17 175.18 2oux h GLU 47 N -1.40 0.23 0.19 2.11 4.81 -1.99 -2.41 114.58 116.12 2oux h GLU 47 Ca -0.46 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 2oux h GLU 47 Cb 1.30 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2oux h GLU 47 CO 0.54 0.15 -0.09 0.87 -0.73 0.00 0.00 179.01 179.75 2oux h LYS 48 N 0.23 -0.25 0.00 1.92 1.57 -2.01 -2.90 116.57 115.14 2oux h LYS 48 Ca 0.13 0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 2oux h LYS 48 Cb 0.21 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2oux h LYS 48 CO -0.02 0.04 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.22 2oux h ASP 49 N -0.52 0.00 -0.66 0.86 3.32 -1.87 -2.40 116.42 115.15 2oux h ASP 49 Ca -0.03 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2oux h ASP 49 Cb 0.39 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2oux h ASP 49 CO 0.04 0.23 0.28 0.03 -1.72 0.00 0.00 179.24 178.10 2oux h ARG 50 N 0.00 0.97 -0.32 3.56 3.08 -1.36 -1.78 114.38 118.53 2oux h ARG 50 Ca -0.00 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.92 2oux h ARG 50 Cb 0.43 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 2oux h ARG 50 CO 0.03 0.80 0.10 1.96 -1.07 0.00 0.00 179.97 181.79 2oux h GLN 51 N 0.92 0.22 -0.59 0.04 1.08 -1.23 -1.13 115.11 114.42 2oux h GLN 51 Ca 0.22 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.44 2oux h GLN 51 Cb 0.18 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 2oux h GLN 51 CO -0.02 0.15 0.35 0.45 -0.95 0.00 0.00 178.83 178.81 2oux h HIS 52 N 0.23 0.66 -0.85 2.96 3.86 -1.37 -1.91 115.15 118.72 2oux h HIS 52 Ca 0.15 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.46 2oux h HIS 52 Cb 0.13 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.33 2oux h HIS 52 CO -0.15 0.37 0.55 1.25 0.86 0.00 0.00 177.93 180.81 2oux h LEU 53 N 0.69 0.77 -1.65 2.43 6.46 -0.45 0.14 115.31 123.70 2oux h LEU 53 Ca 0.24 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 57.98 2oux h LEU 53 Cb 0.05 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2oux h LEU 53 CO -0.11 0.47 -0.19 1.88 -0.62 0.00 0.00 178.44 179.86 2oux h TYR 54 N 0.86 0.00 0.00 1.25 0.99 -0.42 -2.46 116.97 117.19 2oux h TYR 54 Ca 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 2oux h TYR 54 Cb 0.37 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.10 2oux h TYR 54 CO -0.00 0.19 -0.08 -0.91 -0.00 0.00 0.00 178.16 177.36 2oux h ASN 55 N 0.00 0.00 -0.01 3.88 2.35 -0.50 -3.32 115.58 117.99 2oux h ASN 55 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2oux h ASN 55 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 2oux h ASN 55 CO 0.02 0.07 -0.56 -1.22 -1.65 0.00 0.00 177.43 174.10 2oux n TYR 56 N -3.11 0.00 -5.07 1.19 4.01 -0.96 -4.95 117.16 108.28 2oux n TYR 56 Ca 0.04 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.50 2oux n TYR 56 Cb 0.56 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.43 2oux n TYR 56 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2oux s LEU 57 N -2.47 2.03 0.76 7.72 1.43 -1.03 -4.92 118.68 122.20 2oux s LEU 57 Ca 0.13 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 2oux s LEU 57 Cb 0.15 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.28 2oux s LEU 57 CO 0.58 0.25 1.09 -0.94 0.23 0.00 0.00 176.35 177.56 2oux s SER 58 N -0.39 4.86 0.33 2.29 1.04 -1.26 -4.80 113.70 115.77 2oux s SER 58 Ca 0.05 1.30 0.02 0.00 0.48 0.00 0.00 55.95 57.80 2oux s SER 58 Cb -0.10 -2.07 0.59 0.00 0.10 0.00 0.00 66.02 64.54 2oux s SER 58 CO 0.00 -1.74 1.97 -0.65 0.98 0.00 0.00 173.24 173.80 2oux h PRO 59 N -0.93 0.91 0.10 4.02 0.11 -1.91 0.03 132.00 134.34 2oux h PRO 59 Ca -0.46 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 2oux h PRO 59 Cb 1.26 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2oux h PRO 59 CO 0.60 0.60 -0.05 0.87 -0.21 0.00 0.00 178.00 179.82 2oux h LYS 60 N 0.94 -0.13 -0.94 1.05 1.57 -1.92 0.06 116.57 117.20 2oux h LYS 60 Ca 0.30 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.10 2oux h LYS 60 Cb 0.04 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 2oux h LYS 60 CO -0.09 -0.00 0.62 0.93 -0.57 0.00 0.00 179.45 180.34 2oux h GLU 61 N -0.23 1.22 -0.07 3.15 5.08 -1.77 -1.69 114.58 120.27 2oux h GLU 61 Ca -0.01 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.15 2oux h GLU 61 Cb 0.19 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2oux h GLU 61 CO 0.02 0.81 -0.53 1.25 -1.00 0.00 0.00 179.01 179.56 2oux h LEU 62 N 1.26 0.22 -0.81 1.33 5.85 -0.81 -2.98 115.31 119.37 2oux h LEU 62 Ca 0.35 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 2oux h LEU 62 Cb -0.12 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2oux h LEU 62 CO -0.08 0.71 -0.06 0.00 -0.34 0.00 0.00 178.44 178.67 2oux h ALA 63 N 1.30 1.00 0.00 1.25 0.00 -0.15 -1.41 119.26 121.25 2oux h ALA 63 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2oux h ALA 63 Cb 0.99 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2oux h ALA 63 CO 0.08 0.61 0.00 -0.25 0.00 0.00 0.00 179.25 179.69 2oux n ASP 64 N -4.18 0.00 0.00 0.00 8.00 -0.71 -1.21 116.55 118.45 2oux n ASP 64 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2oux n ASP 64 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2oux n ASP 64 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2oux n PHE 66 N 0.39 0.00 -0.52 1.24 3.01 -0.53 -4.32 117.46 116.72 2oux n PHE 66 Ca 0.00 0.00 0.42 0.00 1.01 0.00 0.00 57.45 58.88 2oux n PHE 66 Cb 0.00 0.00 0.72 0.00 -0.01 0.00 0.00 39.48 40.19 2oux n PHE 66 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2oux h ASP 67 N 0.00 0.13 -0.01 4.37 3.32 -1.43 0.09 116.42 122.89 2oux h ASP 67 Ca 0.00 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.12 2oux h ASP 67 Cb 0.00 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2oux h ASP 67 CO 0.00 -0.09 -0.50 1.33 -1.72 0.00 0.00 179.24 178.26 2oux n VAL 68 N -4.37 0.00 -2.27 -1.35 0.24 -1.26 -4.94 118.33 104.38 2oux n VAL 68 Ca 0.38 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 62.02 2oux n VAL 68 Cb 1.60 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 35.03 2oux n VAL 68 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2oux s ILE 69 N -2.08 3.34 -0.16 1.34 -1.09 0.02 -4.90 121.20 117.67 2oux s ILE 69 Ca 0.09 1.11 -0.29 0.00 -2.23 0.00 0.00 60.65 59.33 2oux s ILE 69 Cb 0.11 -3.71 -0.06 0.00 -1.58 0.00 0.00 42.46 37.23 2oux s ILE 69 CO 0.48 0.17 2.10 -1.61 -1.23 0.00 0.00 174.94 174.85 2oux s GLU 70 N -0.16 3.44 0.17 2.79 2.02 -1.26 -4.82 118.70 120.88 2oux s GLU 70 Ca 0.55 2.14 0.13 0.00 0.02 0.00 0.00 54.97 57.80 2oux s GLU 70 Cb -0.35 -4.29 0.65 0.00 0.10 0.00 0.00 34.13 30.24 2oux s GLU 70 CO 0.38 -1.75 1.39 -0.85 0.02 0.00 0.00 175.26 174.45 2oux n GLU 71 N 8.36 0.08 0.00 1.61 0.00 -1.26 0.26 120.64 129.69 2oux n GLU 71 Ca 0.26 0.54 0.12 0.00 0.00 0.00 0.00 57.16 58.08 2oux n GLU 71 Cb 0.44 -1.74 0.20 0.00 0.00 0.00 0.00 31.44 30.35 2oux n GLU 71 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2oux n ASP 72 N -1.90 0.81 -0.07 -1.84 9.92 -1.26 -4.41 116.55 117.79 2oux n ASP 72 Ca -0.00 -0.61 -0.01 0.00 -0.53 0.00 0.00 54.79 53.64 2oux n ASP 72 Cb 0.05 0.36 -0.01 0.00 -0.64 0.00 0.00 41.12 40.88 2oux n ASP 72 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2oux n ASN 73 N -1.20 -0.16 0.00 -2.24 5.15 0.14 -4.73 115.26 112.23 2oux n ASN 73 Ca 0.07 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.37 2oux n ASN 73 Cb 0.35 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.54 2oux n ASN 73 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2oux n GLU 74 N -4.25 0.00 -2.13 1.20 2.13 -1.26 -5.13 120.64 111.20 2oux n GLU 74 Ca 0.01 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 2oux n GLU 74 Cb 0.06 -0.02 0.00 0.00 0.27 0.00 0.00 31.44 31.75 2oux n GLU 74 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2oux n ASN 75 N 0.00 5.00 0.00 4.31 5.15 -1.26 -4.86 115.26 123.61 2oux n ASN 75 Ca 0.00 -3.03 0.00 0.00 -0.60 0.00 0.00 54.58 50.95 2oux n ASN 75 Cb 0.00 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 37.73 2oux n ASN 75 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2oux n LYS 77 N 4.33 0.00 0.19 1.20 5.02 -1.26 -2.63 118.16 125.00 2oux n LYS 77 Ca 0.45 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.81 2oux n LYS 77 Cb 0.36 0.00 0.22 0.00 -0.02 0.00 0.00 35.03 35.59 2oux n LYS 77 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 2oux h ASP 78 N 0.00 0.00 -0.13 4.39 3.04 -1.97 0.19 116.42 121.94 2oux h ASP 78 Ca 0.00 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2oux h ASP 78 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 2oux h ASP 78 CO 0.00 0.30 0.08 1.88 -2.04 0.00 0.00 179.24 179.45 2oux h TYR 79 N 0.00 0.17 -0.40 4.15 0.05 -1.91 -0.18 116.97 118.85 2oux h TYR 79 Ca -0.00 -0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.65 2oux h TYR 79 Cb 1.07 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 2oux h TYR 79 CO 0.00 0.16 -0.25 -0.07 -1.05 0.00 0.00 178.16 176.94 2oux h LEU 80 N 0.14 0.85 -0.21 3.88 3.38 -1.84 -3.20 115.31 118.31 2oux h LEU 80 Ca 0.05 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2oux h LEU 80 Cb 0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 2oux h LEU 80 CO -0.01 1.06 0.13 0.00 0.09 0.00 0.00 178.44 179.71 2oux h ALA 81 N 1.00 0.26 0.00 1.53 0.00 -0.26 -3.43 119.26 118.36 2oux h ALA 81 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2oux h ALA 81 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2oux h ALA 81 CO 0.07 -0.28 0.36 -0.85 0.00 0.00 0.00 179.25 178.55 2oux n GLU 82 N -4.96 0.22 -4.02 0.00 0.28 -0.11 -4.84 120.64 107.22 2oux n GLU 82 Ca -0.03 -0.11 -0.35 0.00 -0.16 0.00 0.00 57.16 56.51 2oux n GLU 82 Cb 0.03 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.23 2oux n GLU 82 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2oux s ARG 84 N 2.69 3.56 0.23 3.44 0.52 -1.26 -5.07 118.95 123.05 2oux s ARG 84 Ca 0.07 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.74 2oux s ARG 84 Cb 0.03 -3.08 0.52 0.00 0.52 0.00 0.00 34.95 32.95 2oux s ARG 84 CO 0.00 -0.05 1.16 -2.30 0.02 0.00 0.00 175.30 174.12 2oux n PRO 85 N 4.43 -0.06 -0.26 3.54 -0.02 -1.26 0.11 135.00 141.48 2oux n PRO 85 Ca -0.17 1.11 -0.06 0.00 -2.02 0.00 0.00 63.50 62.36 2oux n PRO 85 Cb 0.52 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.29 2oux n PRO 85 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oux h SER 86 N 0.00 0.96 -0.26 2.55 4.64 -1.99 -1.17 113.55 118.27 2oux h SER 86 Ca 0.43 -0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 2oux h SER 86 Cb 0.85 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2oux h SER 86 CO -0.71 0.85 0.06 0.22 -0.87 0.00 0.00 176.83 176.39 2oux h TYR 87 N 1.00 0.45 -0.29 4.77 3.20 0.33 -2.14 116.97 124.28 2oux h TYR 87 Ca 0.24 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.08 2oux h TYR 87 Cb 0.18 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2oux h TYR 87 CO 0.01 0.52 0.13 0.00 -1.64 0.00 0.00 178.16 177.17 2oux h ALA 88 N 0.88 0.35 -0.35 1.82 0.00 -0.98 -2.81 119.26 118.16 2oux h ALA 88 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2oux h ALA 88 Cb 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2oux h ALA 88 CO 0.00 -0.27 0.14 0.00 0.00 0.00 0.00 179.25 179.13 2oux h ALA 89 N 1.17 0.42 0.00 0.00 0.00 -1.12 0.57 119.26 120.30 2oux h ALA 89 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2oux h ALA 89 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2oux h ALA 89 CO -0.11 -0.24 0.00 -0.25 0.00 0.00 0.00 179.25 178.65 2oux n ASP 90 N -4.99 0.05 0.00 0.00 8.00 -0.81 -1.24 116.55 117.55 2oux n ASP 90 Ca 0.01 -0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2oux n ASP 90 Cb 0.11 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 2oux n ASP 90 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2oux n LEU 92 N 0.82 0.00 0.12 0.64 4.77 0.19 -2.40 117.00 121.14 2oux n LEU 92 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2oux n LEU 92 Cb 0.01 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.57 2oux n LEU 92 CO 0.00 0.00 0.86 0.00 -1.33 0.00 0.00 177.39 176.92 2oux n ALA 93 N 0.00 1.77 -2.01 -1.18 0.00 -0.38 -4.81 120.51 113.91 2oux n ALA 93 Ca 0.00 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.10 2oux n ALA 93 Cb 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.09 2oux n ALA 93 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2oux n GLU 94 N -2.20 3.11 -3.78 0.00 -0.58 -1.01 -5.03 120.64 111.15 2oux n GLU 94 Ca 0.03 -3.65 -0.37 0.00 -0.42 0.00 0.00 57.16 52.76 2oux n GLU 94 Cb 0.26 -2.30 -0.06 0.00 -0.57 0.00 0.00 31.44 28.77 2oux n GLU 94 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2oux s TYR 96 N -4.04 3.57 0.26 -0.32 2.02 -1.26 -4.85 117.35 112.73 2oux s TYR 96 Ca 0.50 0.56 -0.05 0.00 -0.37 0.00 0.00 57.07 57.71 2oux s TYR 96 Cb 0.40 -2.05 0.50 0.00 -0.40 0.00 0.00 41.96 40.42 2oux s TYR 96 CO -0.37 0.62 1.62 1.15 -1.57 0.00 0.00 175.55 176.99 2oux h THR 97 N 4.11 0.26 -0.84 -0.71 2.02 -1.96 0.66 112.91 116.46 2oux h THR 97 Ca -0.51 -0.03 0.07 0.00 0.77 0.00 0.00 66.41 66.71 2oux h THR 97 Cb 1.21 0.17 -0.07 0.00 -1.74 0.00 0.00 68.15 67.72 2oux h THR 97 CO 0.63 0.02 0.50 -2.24 0.37 0.00 0.00 175.52 174.80 2oux h ASP 98 N 0.08 0.77 0.09 4.18 2.03 -1.95 0.09 116.42 121.72 2oux h ASP 98 Ca 0.45 0.03 -0.15 0.00 -0.73 0.00 0.00 57.03 56.64 2oux h ASP 98 Cb 0.83 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.19 2oux h ASP 98 CO -0.74 0.47 -0.51 0.78 -1.03 0.00 0.00 179.24 178.22 2oux h ASN 99 N 0.89 0.51 0.15 4.15 2.35 -1.31 -2.48 115.58 119.84 2oux h ASN 99 Ca 0.38 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2oux h ASN 99 Cb 0.24 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2oux h ASN 99 CO -0.20 0.93 -0.07 0.00 -1.65 0.00 0.00 177.43 176.44 2oux h ALA 100 N 1.08 -0.20 -0.80 -0.83 0.00 -0.00 -1.76 119.26 116.75 2oux h ALA 100 Ca 0.01 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.91 2oux h ALA 100 Cb 1.02 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2oux h ALA 100 CO 0.09 -0.49 0.40 0.28 0.00 0.00 0.00 179.25 179.53 2oux h VAL 101 N -0.44 0.77 -0.29 0.00 2.07 -1.01 -0.82 116.25 116.54 2oux h VAL 101 Ca -0.02 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2oux h VAL 101 Cb 0.35 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 2oux h VAL 101 CO 0.03 0.11 0.13 0.44 0.02 0.00 0.00 177.57 178.31 2oux h ASP 102 N 0.61 0.38 0.20 0.57 5.19 -1.30 -1.29 116.42 120.78 2oux h ASP 102 Ca 0.42 -0.14 0.01 0.00 -0.62 0.00 0.00 57.03 56.70 2oux h ASP 102 Cb 0.53 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.92 2oux h ASP 102 CO -0.33 0.42 -0.29 0.25 -3.12 0.00 0.00 179.24 176.16 2oux h LEU 103 N 0.32 -0.82 -0.65 1.55 7.12 -0.45 -2.64 115.31 119.76 2oux h LEU 103 Ca 0.10 0.09 0.11 0.00 0.13 0.00 0.00 57.88 58.31 2oux h LEU 103 Cb 0.14 0.30 -0.08 0.00 -0.53 0.00 0.00 40.66 40.48 2oux h LEU 103 CO -0.01 -0.40 0.21 -0.07 -0.13 0.00 0.00 178.44 178.04 2oux h LEU 104 N -0.56 0.15 -3.37 2.25 3.38 -1.04 -2.53 115.31 113.59 2oux h LEU 104 Ca 0.01 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2oux h LEU 104 Cb 0.55 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2oux h LEU 104 CO -0.12 0.08 0.00 0.59 0.09 0.00 0.00 178.44 179.08 2oux n ASN 105 N -5.05 1.50 -0.10 -0.43 3.02 -0.50 -4.72 115.26 108.99 2oux n ASN 105 Ca 0.10 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 2oux n ASN 105 Cb 0.33 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 2oux n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2oux n LEU 107 N 1.66 0.00 -4.74 3.41 4.77 -0.96 -5.05 117.00 116.08 2oux n LEU 107 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2oux n LEU 107 Cb 0.15 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 41.01 2oux n LEU 107 CO 0.00 0.00 0.85 -1.81 -1.33 0.00 0.00 177.39 175.10 2oux s ASP 108 N -0.88 4.89 0.56 -1.43 -0.00 -1.26 -4.74 116.67 113.81 2oux s ASP 108 Ca 0.00 2.44 0.35 0.00 -0.00 0.00 0.00 52.55 55.34 2oux s ASP 108 Cb 0.00 -2.60 1.50 0.00 -0.00 0.00 0.00 42.92 41.82 2oux s ASP 108 CO 0.00 -1.80 1.76 0.11 -0.00 0.00 0.00 175.17 175.24 2oux h LYS 109 N 0.61 0.00 0.25 8.23 1.79 -1.97 -1.91 116.57 123.56 2oux h LYS 109 Ca -0.50 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.96 2oux h LYS 109 Cb 1.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.96 2oux h LYS 109 CO 0.54 0.00 -0.12 0.77 -1.08 0.00 0.00 179.45 179.56 2oux h SER 110 N 0.00 -0.28 -0.49 0.86 0.02 -2.00 -3.23 113.55 108.44 2oux h SER 110 Ca 0.52 -0.21 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 2oux h SER 110 Cb 2.24 0.07 -0.08 0.00 0.14 0.00 0.00 62.40 64.77 2oux h SER 110 CO -0.01 0.22 -0.03 1.56 -1.14 0.00 0.00 176.83 177.44 2oux h GLN 111 N -0.96 0.08 -0.82 3.45 4.20 -1.72 -1.43 115.11 117.91 2oux h GLN 111 Ca -0.03 -0.00 0.20 0.00 0.06 0.00 0.00 58.65 58.87 2oux h GLN 111 Cb 0.47 -0.02 -0.12 0.00 0.30 0.00 0.00 27.48 28.11 2oux h GLN 111 CO 0.06 0.05 0.24 -0.22 -0.67 0.00 0.00 178.83 178.29 2oux h LYS 112 N 0.09 0.26 0.05 1.46 3.64 -1.55 0.13 116.57 120.65 2oux h LYS 112 Ca 0.24 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.33 2oux h LYS 112 Cb 0.37 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2oux h LYS 112 CO -0.43 0.18 -1.11 0.00 -2.27 0.00 0.00 179.45 175.81 2oux h ALA 113 N 1.69 0.12 -0.10 5.00 0.00 -1.39 -2.51 119.26 122.06 2oux h ALA 113 Ca 0.49 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2oux h ALA 113 Cb 0.92 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2oux h ALA 113 CO -0.57 0.72 0.06 1.57 0.00 0.00 0.00 179.25 181.03 2oux h LYS 114 N 0.32 0.14 -0.58 0.00 5.09 -0.17 0.43 116.57 121.81 2oux h LYS 114 Ca -0.14 -0.02 -0.10 0.00 0.09 0.00 0.00 60.65 60.48 2oux h LYS 114 Cb 1.77 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 34.05 2oux h LYS 114 CO 0.21 0.16 -0.04 1.88 -2.09 0.00 0.00 179.45 179.57 2oux h TYR 115 N 0.08 1.15 -0.27 0.07 0.05 -0.92 -2.35 116.97 114.79 2oux h TYR 115 Ca 0.04 -0.22 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 2oux h TYR 115 Cb 0.06 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 2oux h TYR 115 CO -0.05 1.04 0.01 1.25 -1.05 0.00 0.00 178.16 179.35 2oux h LEU 116 N 0.94 0.38 -0.92 3.88 5.85 -1.18 -1.92 115.31 122.33 2oux h LEU 116 Ca 0.16 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2oux h LEU 116 Cb 0.61 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2oux h LEU 116 CO 0.04 0.44 -0.48 0.77 -0.34 0.00 0.00 178.44 178.87 2oux h SER 117 N 0.40 0.15 0.28 1.25 4.64 0.37 -2.89 113.55 117.75 2oux h SER 117 Ca 0.09 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2oux h SER 117 Cb 0.26 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2oux h SER 117 CO 0.01 0.61 0.00 0.18 -0.87 0.00 0.00 176.83 176.75 2oux n LEU 118 N -3.97 0.00 -4.89 5.97 4.77 -0.72 -4.77 117.00 113.39 2oux n LEU 118 Ca -0.02 0.27 -0.33 0.00 -0.03 0.00 0.00 56.01 55.90 2oux n LEU 118 Cb 0.51 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2oux n LEU 118 CO 0.42 -0.13 -0.17 -0.76 -1.33 0.00 0.00 177.39 175.42 2oux s LEU 119 N -2.54 4.30 1.22 2.23 1.43 -1.09 -4.95 118.68 119.28 2oux s LEU 119 Ca 0.16 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.36 2oux s LEU 119 Cb 0.11 -2.59 0.30 0.00 0.03 0.00 0.00 46.19 44.04 2oux s LEU 119 CO 0.24 0.26 1.15 -0.94 0.23 0.00 0.00 176.35 177.29 2oux s SER 120 N -1.95 0.82 0.10 2.29 1.04 -1.26 -4.79 113.70 109.94 2oux s SER 120 Ca 0.27 0.43 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2oux s SER 120 Cb -0.13 -0.53 -0.06 0.00 0.10 0.00 0.00 66.02 65.41 2oux s SER 120 CO 0.19 -4.16 1.53 -1.28 0.98 0.00 0.00 173.24 170.49 2oux h SER 121 N -2.61 0.55 0.17 7.02 0.87 -1.98 -2.58 113.55 114.98 2oux h SER 121 Ca -0.42 -0.33 -0.12 0.00 -1.23 0.00 0.00 61.79 59.69 2oux h SER 121 Cb 1.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 2oux h SER 121 CO 0.28 0.74 -0.44 -0.08 -0.53 0.00 0.00 176.83 176.80 2oux h GLU 122 N 0.34 0.34 0.00 2.24 4.81 -2.00 -1.67 114.58 118.64 2oux h GLU 122 Ca 0.08 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2oux h GLU 122 Cb 0.47 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2oux h GLU 122 CO 0.02 0.72 -0.56 0.93 -0.73 0.00 0.00 179.01 179.39 2oux h GLU 123 N 0.28 0.00 0.00 1.92 5.08 -1.90 -3.23 114.58 116.73 2oux h GLU 123 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2oux h GLU 123 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2oux h GLU 123 CO 0.07 0.56 -1.20 0.00 -1.00 0.00 0.00 179.01 177.44 2oux n ALA 124 N -2.43 4.32 -0.16 3.43 0.00 -0.98 -4.72 120.51 119.97 2oux n ALA 124 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.81 2oux n ALA 124 Cb 0.57 -0.76 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 2oux n ALA 124 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2oux h GLY 125 N 4.72 -2.03 1.19 0.00 0.00 -1.32 0.95 103.07 106.59 2oux h GLY 125 Ca 0.00 1.03 -0.04 0.00 0.00 0.00 0.00 47.33 48.33 2oux h GLY 125 CO 0.00 -0.64 0.29 0.83 0.00 0.00 0.00 176.54 177.02 2oux h GLU 126 N -0.00 1.03 -0.77 4.80 3.07 -1.84 -2.38 114.58 118.48 2oux h GLU 126 Ca 0.06 -0.17 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 2oux h GLU 126 Cb 0.15 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.85 2oux h GLU 126 CO -0.35 0.84 0.46 0.82 -1.40 0.00 0.00 179.01 179.38 2oux h ILE 127 N 1.01 1.22 -0.20 3.13 1.08 -1.69 -2.55 117.51 119.51 2oux h ILE 127 Ca 0.24 -0.48 -0.13 0.00 -0.39 0.00 0.00 64.86 64.10 2oux h ILE 127 Cb 0.19 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 2oux h ILE 127 CO -0.02 0.23 -0.41 0.11 -0.69 0.00 0.00 178.15 177.36 2oux h LYS 128 N 1.07 0.46 0.60 2.37 1.57 -0.33 -2.80 116.57 119.50 2oux h LYS 128 Ca 0.28 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2oux h LYS 128 Cb -0.04 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.28 2oux h LYS 128 CO -0.05 0.80 -0.29 0.93 -0.57 0.00 0.00 179.45 180.27 2oux h GLU 129 N 0.38 -0.77 0.00 3.15 5.08 -1.14 -3.20 114.58 118.08 2oux h GLU 129 Ca 0.03 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2oux h GLU 129 Cb 0.89 0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2oux h GLU 129 CO 0.08 -0.46 0.00 -0.07 -1.00 0.00 0.00 179.01 177.56 2oux h LEU 130 N -1.06 0.00 -1.24 1.33 4.07 -1.54 -1.68 115.31 115.19 2oux h LEU 130 Ca -0.08 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.85 2oux h LEU 130 Cb 0.67 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 2oux h LEU 130 CO 0.13 0.00 -0.16 -0.07 -1.08 0.00 0.00 178.44 177.27 2oux h LEU 131 N 0.00 0.00 -1.14 1.67 3.38 -1.48 -3.03 115.31 114.70 2oux h LEU 131 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2oux h LEU 131 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2oux h LEU 131 CO 0.00 0.16 -0.41 0.45 0.09 0.00 0.00 178.44 178.72 2oux h HIS 132 N 0.00 0.00 -3.55 1.13 3.86 -1.42 -3.45 115.15 111.72 2oux h HIS 132 Ca -0.00 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.69 2oux h HIS 132 Cb 0.67 0.00 0.05 0.00 1.06 0.00 0.00 27.41 29.18 2oux h HIS 132 CO 0.00 0.41 0.66 0.71 0.86 0.00 0.00 177.93 180.58 2oux s TYR 133 N -3.98 3.16 0.32 2.45 2.02 -1.15 -4.97 117.35 115.20 2oux s TYR 133 Ca -0.02 1.26 -0.29 0.00 -0.37 0.00 0.00 57.07 57.65 2oux s TYR 133 Cb 0.13 -3.66 -0.11 0.00 -0.40 0.00 0.00 41.96 37.93 2oux s TYR 133 CO 0.72 -1.99 1.44 -1.21 -1.57 0.00 0.00 175.55 172.93 2oux s GLU 134 N -0.74 4.23 0.29 -0.62 0.41 -1.26 -4.69 118.70 116.31 2oux s GLU 134 Ca 0.54 2.39 -0.30 0.00 -0.41 0.00 0.00 54.97 57.20 2oux s GLU 134 Cb -0.38 -3.04 -0.13 0.00 -1.78 0.00 0.00 34.13 28.79 2oux s GLU 134 CO 0.44 -0.41 1.33 -3.47 -0.49 0.00 0.00 175.26 172.65 2oux n ASP 135 N 1.30 2.65 0.00 -0.19 -0.08 -1.26 -2.47 116.55 116.50 2oux n ASP 135 Ca 0.03 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.49 2oux n ASP 135 Cb 0.40 -1.44 0.00 0.00 2.34 0.00 0.00 41.12 42.42 2oux n ASP 135 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2oux n GLU 136 N 1.30 0.00 -4.10 -0.67 1.02 -1.26 -5.04 120.64 111.89 2oux n GLU 136 Ca 0.08 0.07 -0.22 0.00 -0.02 0.00 0.00 57.16 57.07 2oux n GLU 136 Cb 0.33 -2.99 -0.05 0.00 -0.02 0.00 0.00 31.44 28.71 2oux n GLU 136 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2oux s THR 137 N -2.00 3.84 0.30 2.62 -4.23 -1.03 -1.69 115.64 113.45 2oux s THR 137 Ca 0.00 -1.56 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 2oux s THR 137 Cb 0.00 -3.17 0.29 0.00 1.34 0.00 0.00 72.50 70.96 2oux s THR 137 CO 0.00 -0.30 1.73 0.00 -0.54 0.00 0.00 174.62 175.51 2oux h ALA 138 N 1.55 1.55 0.00 3.99 0.00 -1.10 0.27 119.26 125.52 2oux h ALA 138 Ca -0.46 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2oux h ALA 138 Cb 1.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 2oux h ALA 138 CO 0.61 -0.22 -0.11 0.78 0.00 0.00 0.00 179.25 180.30 2oux h GLY 139 N 0.56 0.00 2.00 0.00 0.00 -1.44 -1.99 103.07 102.20 2oux h GLY 139 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2oux h GLY 139 CO -0.45 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.09 2oux h ALA 140 N 1.89 1.00 -1.79 3.60 0.00 -0.65 -3.46 119.26 119.84 2oux h ALA 140 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 2oux h ALA 140 Cb 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.61 2oux h ALA 140 CO 0.01 0.00 -0.48 0.44 0.00 0.00 0.00 179.25 179.23 2oux n ILE 141 N -3.06 2.96 -3.52 0.00 -5.35 -0.75 -4.89 119.36 104.74 2oux n ILE 141 Ca 0.04 -5.23 -0.09 0.00 -0.27 0.00 0.00 62.75 57.21 2oux n ILE 141 Cb 0.51 -1.34 -0.03 0.00 -1.74 0.00 0.00 39.64 37.05 2oux n ILE 141 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2oux s THR 143 N -5.01 0.00 -0.76 7.28 -1.32 0.22 -4.72 115.64 111.34 2oux s THR 143 Ca 0.48 0.00 0.24 0.00 -1.21 0.00 0.00 61.69 61.21 2oux s THR 143 Cb 0.34 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.35 2oux s THR 143 CO -0.18 0.00 1.33 0.35 -2.21 0.00 0.00 174.62 173.91 2oux n THR 144 N -0.07 0.21 -2.21 5.08 -2.24 -1.26 -1.42 114.28 112.36 2oux n THR 144 Ca -0.09 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 2oux n THR 144 Cb 0.61 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2oux n THR 144 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2oux n GLU 145 N -1.88 3.16 -4.38 -0.78 4.71 -1.26 -4.92 120.64 115.28 2oux n GLU 145 Ca 0.04 -3.11 -0.25 0.00 -0.01 0.00 0.00 57.16 53.83 2oux n GLU 145 Cb 0.40 -3.24 -0.09 0.00 -1.01 0.00 0.00 31.44 27.50 2oux n GLU 145 CO 0.00 0.00 0.00 -0.59 0.09 0.00 0.00 177.13 176.63 2oux s PHE 146 N 2.70 2.52 -0.23 -0.32 -0.12 -1.26 0.86 117.98 122.12 2oux s PHE 146 Ca 0.47 -0.44 -0.09 0.00 -0.05 0.00 0.00 56.93 56.82 2oux s PHE 146 Cb 0.09 -1.44 -0.04 0.00 -0.63 0.00 0.00 43.02 40.99 2oux s PHE 146 CO -0.02 0.51 0.12 0.08 -0.05 0.00 0.00 175.22 175.86 2oux s VAL 147 N -2.53 4.96 0.03 -2.49 1.01 -1.26 -4.94 120.40 115.17 2oux s VAL 147 Ca 0.34 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.41 2oux s VAL 147 Cb 0.00 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 2oux s VAL 147 CO 0.19 0.36 -0.13 -0.94 0.00 0.00 0.00 175.10 174.57 2oux s SER 148 N 1.14 1.59 0.23 3.32 1.04 -1.26 -1.07 113.70 118.68 2oux s SER 148 Ca 0.06 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2oux s SER 148 Cb -0.14 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2oux s SER 148 CO 0.04 0.06 0.17 0.27 0.98 0.00 0.00 173.24 174.76 2oux s ILE 149 N -0.72 0.00 0.20 -1.02 -4.36 0.38 -4.95 121.20 110.73 2oux s ILE 149 Ca 0.02 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 2oux s ILE 149 Cb -0.07 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.10 2oux s ILE 149 CO 0.01 0.00 0.36 0.68 0.24 0.00 0.00 174.94 176.23 2oux s VAL 150 N -4.01 5.25 0.06 8.37 -7.23 -1.26 -0.47 120.40 121.11 2oux s VAL 150 Ca 0.39 -0.61 -0.27 0.00 -1.81 0.00 0.00 61.98 59.68 2oux s VAL 150 Cb 0.06 -3.77 -0.17 0.00 0.56 0.00 0.00 36.38 33.06 2oux s VAL 150 CO 0.15 -0.21 1.55 0.00 -0.31 0.00 0.00 175.10 176.29 2oux h ALA 151 N 1.77 -0.43 0.00 1.32 0.00 -1.95 -3.32 119.26 116.66 2oux h ALA 151 Ca -0.49 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.14 2oux h ALA 151 Cb 1.20 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2oux h ALA 151 CO 0.66 -0.69 0.28 -1.71 0.00 0.00 0.00 179.25 177.79 2oux n ASN 152 N -5.23 3.38 -4.26 0.00 2.85 -1.26 -1.61 115.26 109.13 2oux n ASN 152 Ca -0.10 -2.12 -0.15 0.00 -0.11 0.00 0.00 54.58 52.10 2oux n ASN 152 Cb 0.22 -0.88 -0.10 0.00 1.24 0.00 0.00 39.78 40.25 2oux n ASN 152 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2oux s GLN 153 N 1.97 1.08 0.42 1.20 0.74 -1.25 -5.00 119.66 118.82 2oux s GLN 153 Ca 0.40 -1.42 -0.00 0.00 0.05 0.00 0.00 55.36 54.39 2oux s GLN 153 Cb 0.18 -0.74 -0.02 0.00 1.10 0.00 0.00 33.01 33.54 2oux s GLN 153 CO -0.00 0.11 0.64 0.95 -0.55 0.00 0.00 175.29 176.44 2oux s THR 154 N -3.02 4.47 0.29 -0.34 -4.23 -1.26 0.43 115.64 111.99 2oux s THR 154 Ca 0.16 -0.41 0.02 0.00 -1.18 0.00 0.00 61.69 60.27 2oux s THR 154 Cb 0.00 -3.65 0.11 0.00 1.34 0.00 0.00 72.50 70.30 2oux s THR 154 CO 0.02 -0.46 1.78 -0.37 -0.54 0.00 0.00 174.62 175.04 2oux h VAL 155 N 0.50 1.24 -0.86 2.29 -1.51 -1.30 0.02 116.25 116.63 2oux h VAL 155 Ca -0.47 -1.04 0.09 0.00 -1.23 0.00 0.00 66.70 64.05 2oux h VAL 155 Cb 1.24 1.09 -0.07 0.00 -2.13 0.00 0.00 31.29 31.41 2oux h VAL 155 CO 0.59 0.35 0.50 -0.09 -1.23 0.00 0.00 177.57 177.69 2oux h ARG 156 N 0.54 0.82 -0.20 5.19 2.43 -1.65 -1.78 114.38 119.72 2oux h ARG 156 Ca 0.10 -0.05 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 2oux h ARG 156 Cb 0.50 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2oux h ARG 156 CO 0.03 0.54 -0.54 1.03 -1.51 0.00 0.00 179.97 179.52 2oux h SER 157 N 0.85 0.82 0.00 -3.80 0.87 -1.59 -2.42 113.55 108.27 2oux h SER 157 Ca 0.41 -0.58 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2oux h SER 157 Cb 0.36 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2oux h SER 157 CO -0.24 1.25 0.00 0.00 -0.53 0.00 0.00 176.83 177.31 2oux n ALA 158 N -2.56 1.69 0.00 6.23 0.00 -0.10 -2.85 120.51 122.92 2oux n ALA 158 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2oux n ALA 158 Cb 0.62 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.07 2oux n ALA 158 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2oux n TYR 160 N 0.87 0.00 0.03 0.00 9.36 -0.91 -2.46 117.16 124.04 2oux n TYR 160 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 2oux n TYR 160 Cb 0.10 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.75 2oux n TYR 160 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2oux h VAL 161 N 0.00 0.97 -0.02 2.97 2.07 -1.83 -0.54 116.25 119.87 2oux h VAL 161 Ca 0.00 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2oux h VAL 161 Cb 0.00 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.69 2oux h VAL 161 CO 0.00 0.00 -0.20 -0.07 0.02 0.00 0.00 177.57 177.32 2oux h LEU 162 N 0.01 -0.59 -0.32 2.57 3.38 -1.78 1.53 115.31 120.11 2oux h LEU 162 Ca 0.02 0.09 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2oux h LEU 162 Cb 0.02 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2oux h LEU 162 CO -0.03 -0.26 -0.05 0.50 0.09 0.00 0.00 178.44 178.68 2oux h LYS 163 N -0.31 0.60 -0.01 1.13 3.64 -1.83 -3.26 116.57 116.53 2oux h LYS 163 Ca 0.06 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2oux h LYS 163 Cb 0.40 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2oux h LYS 163 CO -0.20 0.77 -0.16 0.09 -2.27 0.00 0.00 179.45 177.68 2oux n ASN 164 N -4.48 1.34 -1.38 4.20 4.13 -0.22 -4.74 115.26 114.10 2oux n ASN 164 Ca -0.02 -1.17 0.04 0.00 1.68 0.00 0.00 54.58 55.10 2oux n ASN 164 Cb 0.31 0.36 0.02 0.00 -1.54 0.00 0.00 39.78 38.93 2oux n ASN 164 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2oux n GLN 165 N -0.07 0.02 -1.40 3.52 1.13 0.51 -4.87 117.38 116.21 2oux n GLN 165 Ca 0.04 -1.91 0.02 0.00 -1.94 0.00 0.00 57.00 53.22 2oux n GLN 165 Cb 0.22 -0.07 0.08 0.00 0.11 0.00 0.00 30.24 30.58 2oux n GLN 165 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oux n ALA 166 N 0.43 3.00 0.23 -1.58 0.00 -0.59 -4.77 120.51 117.22 2oux n ALA 166 Ca 0.05 -2.81 0.00 0.00 0.00 0.00 0.00 53.44 50.69 2oux n ALA 166 Cb 1.10 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2oux n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2oux n ASP 167 N -0.23 3.54 -1.29 0.00 2.03 -1.26 -4.93 116.55 114.41 2oux n ASP 167 Ca 0.13 -1.95 0.00 0.00 0.52 0.00 0.00 54.79 53.49 2oux n ASP 167 Cb 0.95 -0.69 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 2oux n ASP 167 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2oux n ALA 169 N 1.06 -1.34 0.31 -1.67 0.00 -1.26 -5.12 120.51 112.48 2oux n ALA 169 Ca 0.00 0.17 -0.17 0.00 0.00 0.00 0.00 53.44 53.44 2oux n ALA 169 Cb 0.43 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.95 2oux n ALA 169 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2oux h GLU 170 N 1.36 -0.88 -3.90 0.00 4.39 0.10 -3.45 114.58 112.21 2oux h GLU 170 Ca 0.00 0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.61 2oux h GLU 170 Cb 0.00 0.20 -0.20 0.00 -0.10 0.00 0.00 28.75 28.65 2oux h GLU 170 CO 0.00 -0.58 -0.63 -0.08 -1.16 0.00 0.00 179.01 176.55 2oux s THR 171 N -5.99 0.12 0.00 1.13 -1.32 -1.26 -5.02 115.64 103.30 2oux s THR 171 Ca -0.18 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.29 2oux s THR 171 Cb 0.04 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 2oux s THR 171 CO 0.62 -0.56 0.75 2.30 -2.21 0.00 0.00 174.62 175.52 2oux n ILE 172 N 1.26 0.54 0.57 5.08 -5.35 -1.26 -4.31 119.36 115.88 2oux n ILE 172 Ca -0.22 -0.72 0.07 0.00 -0.27 0.00 0.00 62.75 61.62 2oux n ILE 172 Cb 0.56 0.77 0.34 0.00 -1.74 0.00 0.00 39.64 39.57 2oux n ILE 172 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2oux n TYR 173 N -0.27 0.00 -4.16 4.28 4.01 -1.26 -4.43 117.16 115.34 2oux n TYR 173 Ca 0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 2oux n TYR 173 Cb 0.18 -0.45 -0.16 0.00 -0.31 0.00 0.00 39.34 38.60 2oux n TYR 173 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 2oux s TYR 174 N -2.91 0.60 -0.20 -0.72 2.02 -1.26 -1.59 117.35 113.29 2oux s TYR 174 Ca 0.09 -0.13 -0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2oux s TYR 174 Cb 0.10 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.18 2oux s TYR 174 CO 0.27 -0.10 -0.15 0.08 -1.57 0.00 0.00 175.55 174.07 2oux s VAL 175 N 0.47 2.40 0.13 0.71 1.01 -0.16 -4.60 120.40 120.36 2oux s VAL 175 Ca -0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 2oux s VAL 175 Cb -0.09 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 2oux s VAL 175 CO -0.00 0.45 0.59 -0.31 0.00 0.00 0.00 175.10 175.83 2oux s TYR 176 N 1.32 3.70 -0.18 5.22 2.02 -0.23 -1.61 117.35 127.58 2oux s TYR 176 Ca 0.04 1.22 -0.04 0.00 -0.37 0.00 0.00 57.07 57.91 2oux s TYR 176 Cb -0.14 -2.47 -0.02 0.00 -0.40 0.00 0.00 41.96 38.92 2oux s TYR 176 CO -0.10 0.48 -0.02 0.08 -1.57 0.00 0.00 175.55 174.42 2oux s VAL 177 N -1.33 3.88 0.30 0.71 1.01 -0.04 -0.47 120.40 124.46 2oux s VAL 177 Ca 0.35 -0.35 0.05 0.00 0.00 0.00 0.00 61.98 62.04 2oux s VAL 177 Cb -0.17 -2.73 -0.06 0.00 0.00 0.00 0.00 36.38 33.42 2oux s VAL 177 CO 0.20 0.45 -0.01 0.68 0.00 0.00 0.00 175.10 176.42 2oux s VAL 178 N 0.77 1.46 0.00 2.92 -7.23 0.38 -0.94 120.40 117.76 2oux s VAL 178 Ca -0.01 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2oux s VAL 178 Cb -0.14 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2oux s VAL 178 CO 0.02 -0.19 0.00 -0.90 -0.31 0.00 0.00 175.10 173.73 2oux n ASP 179 N -0.63 0.01 -0.38 4.85 5.68 -0.76 -4.17 116.55 121.15 2oux n ASP 179 Ca -0.04 -1.01 -0.01 0.00 -0.50 0.00 0.00 54.79 53.23 2oux n ASP 179 Cb 0.65 -0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.75 2oux n ASP 179 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2oux h GLN 180 N 0.00 1.29 -0.16 0.11 7.50 -1.99 -1.68 115.11 120.17 2oux h GLN 180 Ca -0.00 -0.08 0.00 0.00 0.50 0.00 0.00 58.65 59.07 2oux h GLN 180 Cb 0.01 -0.29 0.00 0.00 0.05 0.00 0.00 27.48 27.24 2oux h GLN 180 CO 0.00 0.86 0.00 0.39 -1.50 0.00 0.00 178.83 178.58 2oux n GLU 181 N -4.40 0.96 -2.56 1.46 1.02 -1.26 -4.84 120.64 111.01 2oux n GLU 181 Ca 0.13 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.10 2oux n GLU 181 Cb 0.04 -1.08 0.01 0.00 -0.02 0.00 0.00 31.44 30.39 2oux n GLU 181 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2oux n ASN 182 N -0.41 -4.88 -4.73 1.62 5.15 -0.63 -4.95 115.26 106.43 2oux n ASN 182 Ca 0.00 -0.11 -0.40 0.00 -0.60 0.00 0.00 54.58 53.46 2oux n ASN 182 Cb 0.04 -3.87 -0.05 0.00 -0.53 0.00 0.00 39.78 35.38 2oux n ASN 182 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2oux s HIS 183 N -2.90 3.72 -0.36 1.20 3.76 -1.26 -2.02 115.29 117.42 2oux s HIS 183 Ca 0.11 1.53 -0.29 0.00 -0.15 0.00 0.00 55.06 56.26 2oux s HIS 183 Cb -0.05 -2.90 0.01 0.00 1.11 0.00 0.00 32.58 30.75 2oux s HIS 183 CO 0.14 0.20 1.33 -1.17 -0.85 0.00 0.00 174.74 174.39 2oux s LEU 184 N 0.21 3.73 0.00 0.89 2.96 -0.02 -1.82 118.68 124.63 2oux s LEU 184 Ca 0.42 0.97 0.02 0.00 -0.22 0.00 0.00 54.13 55.32 2oux s LEU 184 Cb -0.21 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.95 2oux s LEU 184 CO 0.24 -1.24 0.49 1.33 -1.32 0.00 0.00 176.35 175.85 2oux n VAL 185 N 6.63 0.00 0.00 1.68 0.24 -0.12 -5.00 118.33 121.76 2oux n VAL 185 Ca 0.15 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2oux n VAL 185 Cb 0.47 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 2oux n VAL 185 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2oux n GLY 186 N 0.21 -0.87 3.44 7.63 0.00 -0.99 -4.75 105.19 109.87 2oux n GLY 186 Ca 0.01 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 2oux n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oux s VAL 187 N -2.00 0.01 -0.15 1.61 0.11 -0.85 -0.86 120.40 118.27 2oux s VAL 187 Ca 0.00 -0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 58.88 2oux s VAL 187 Cb 0.00 -0.98 0.06 0.00 -1.53 0.00 0.00 36.38 33.93 2oux s VAL 187 CO 0.00 -0.05 0.35 -0.51 -3.33 0.00 0.00 175.10 171.56 2oux s ILE 188 N -2.26 -0.11 0.57 7.04 2.07 -0.63 0.51 121.20 128.38 2oux s ILE 188 Ca -0.06 0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.14 2oux s ILE 188 Cb -0.01 -0.53 -0.05 0.00 0.13 0.00 0.00 42.46 42.00 2oux s ILE 188 CO 0.00 0.05 1.06 -0.94 -1.91 0.00 0.00 174.94 173.20 2oux s SER 189 N 1.55 5.87 0.31 4.50 1.04 -1.26 -0.99 113.70 124.71 2oux s SER 189 Ca -0.08 1.87 0.01 0.00 0.48 0.00 0.00 55.95 58.23 2oux s SER 189 Cb -0.10 -2.54 0.50 0.00 0.10 0.00 0.00 66.02 63.98 2oux s SER 189 CO -0.11 -1.10 1.85 0.25 0.98 0.00 0.00 173.24 175.10 2oux h LEU 190 N 0.71 0.64 -2.00 2.42 5.85 -1.53 -1.52 115.31 119.87 2oux h LEU 190 Ca -0.48 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.11 2oux h LEU 190 Cb 1.22 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2oux h LEU 190 CO 0.58 0.66 -0.09 0.08 -0.34 0.00 0.00 178.44 179.33 2oux h ARG 191 N 0.66 0.00 0.07 1.25 0.11 -1.92 -0.26 114.38 114.29 2oux h ARG 191 Ca 0.14 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 59.92 2oux h ARG 191 Cb 0.31 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.36 2oux h ARG 191 CO 0.00 0.09 -1.59 -0.44 0.10 0.00 0.00 179.97 178.13 2oux h ASP 192 N 0.00 0.24 0.46 0.08 3.32 -1.77 -3.37 116.42 115.38 2oux h ASP 192 Ca -0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 2oux h ASP 192 Cb 0.31 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2oux h ASP 192 CO 0.01 1.33 -0.22 0.25 -1.72 0.00 0.00 179.24 178.89 2oux h LEU 193 N 0.04 -0.53 -2.16 1.55 5.85 -0.46 -3.15 115.31 116.45 2oux h LEU 193 Ca -0.26 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.42 2oux h LEU 193 Cb 1.99 0.14 0.00 0.00 0.37 0.00 0.00 40.66 43.16 2oux h LEU 193 CO 0.12 -0.28 0.06 0.16 -0.34 0.00 0.00 178.44 178.16 2oux h ILE 194 N -0.75 0.00 -0.58 4.05 3.07 -1.25 -1.12 117.51 120.93 2oux h ILE 194 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 2oux h ILE 194 Cb 0.54 0.72 0.00 0.00 -0.27 0.00 0.00 36.82 37.81 2oux h ILE 194 CO 0.10 0.00 0.00 1.33 -1.05 0.00 0.00 178.15 178.53 2oux n VAL 195 N -2.68 1.17 -4.13 0.16 0.24 -1.19 -4.92 118.33 106.98 2oux n VAL 195 Ca -0.02 -0.90 -0.25 0.00 -2.04 0.00 0.00 64.34 61.13 2oux n VAL 195 Cb 0.11 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 2oux n VAL 195 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2oux s ASN 196 N -0.91 5.27 0.49 -1.34 0.01 -0.43 -5.09 114.94 112.94 2oux s ASN 196 Ca 0.42 -0.25 -0.22 0.00 -0.71 0.00 0.00 52.86 52.10 2oux s ASN 196 Cb 0.24 -1.29 -0.07 0.00 0.41 0.00 0.00 41.25 40.55 2oux s ASN 196 CO 0.24 0.05 1.17 -0.62 -1.51 0.00 0.00 177.10 176.43 2oux s ASP 197 N -3.22 5.97 0.27 -1.22 2.15 -1.26 -4.93 116.67 114.43 2oux s ASP 197 Ca 0.30 2.30 0.01 0.00 0.43 0.00 0.00 52.55 55.59 2oux s ASP 197 Cb -0.09 -2.60 0.61 0.00 -0.30 0.00 0.00 42.92 40.54 2oux s ASP 197 CO 0.22 -1.05 1.72 0.44 -0.17 0.00 0.00 175.17 176.33 2oux h ASP 198 N 1.76 0.36 1.41 -0.34 5.19 -1.97 -1.59 116.42 121.25 2oux h ASP 198 Ca -0.50 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 2oux h ASP 198 Cb 1.26 0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.86 2oux h ASP 198 CO 0.59 0.08 0.00 0.44 -3.12 0.00 0.00 179.24 177.23 2oux h ASP 199 N 0.46 0.00 -3.63 6.45 3.32 -1.97 -2.12 116.42 118.93 2oux h ASP 199 Ca 0.50 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.99 2oux h ASP 199 Cb 0.85 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.53 2oux h ASP 199 CO -0.46 0.00 0.52 0.41 -1.72 0.00 0.00 179.24 177.99 2oux n THR 200 N -2.49 2.68 -3.11 0.35 -1.04 -0.60 -4.77 114.28 105.31 2oux n THR 200 Ca 0.04 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.16 2oux n THR 200 Cb 0.40 -1.60 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 2oux n THR 200 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2oux s LEU 201 N -1.92 4.23 0.31 -4.42 1.02 -1.26 -1.67 118.68 114.96 2oux s LEU 201 Ca 0.62 0.97 0.07 0.00 0.02 0.00 0.00 54.13 55.81 2oux s LEU 201 Cb -0.49 -2.94 0.87 0.00 0.02 0.00 0.00 46.19 43.65 2oux s LEU 201 CO 0.57 -0.18 1.62 0.40 0.02 0.00 0.00 176.35 178.79 2oux h ILE 202 N 4.96 0.20 -0.02 -0.59 1.08 -0.09 0.96 117.51 124.00 2oux h ILE 202 Ca -0.36 -0.05 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2oux h ILE 202 Cb 1.17 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2oux h ILE 202 CO 0.77 0.03 0.05 0.00 -0.69 0.00 0.00 178.15 178.31 2oux h ALA 203 N 1.87 1.31 0.00 1.87 0.00 -1.51 -0.20 119.26 122.59 2oux h ALA 203 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2oux h ALA 203 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2oux h ALA 203 CO -0.73 -0.07 -0.77 -0.44 0.00 0.00 0.00 179.25 177.25 2oux h ASP 204 N 0.00 0.00 -0.00 0.00 3.32 0.66 -3.38 116.42 117.02 2oux h ASP 204 Ca 0.01 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2oux h ASP 204 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2oux h ASP 204 CO -0.00 0.04 -0.01 2.30 -1.72 0.00 0.00 179.24 179.85 2oux n ILE 205 N -2.52 0.00 -1.23 0.35 -5.35 -0.71 -5.05 119.36 104.86 2oux n ILE 205 Ca 0.02 -0.49 -0.31 0.00 -0.27 0.00 0.00 62.75 61.69 2oux n ILE 205 Cb 0.51 1.01 0.10 0.00 -1.74 0.00 0.00 39.64 39.52 2oux n ILE 205 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 2oux s LEU 206 N -0.71 2.92 -0.24 7.28 0.05 -0.17 -4.96 118.68 122.86 2oux s LEU 206 Ca 0.01 1.79 -0.11 0.00 0.05 0.00 0.00 54.13 55.87 2oux s LEU 206 Cb 0.01 -4.44 -0.05 0.00 -2.05 0.00 0.00 46.19 39.66 2oux s LEU 206 CO 0.02 -2.16 0.19 0.21 -0.55 0.00 0.00 176.35 174.06 2oux s ASN 207 N -3.37 6.15 0.18 1.48 3.84 0.18 -4.91 114.94 118.49 2oux s ASN 207 Ca 0.62 0.15 0.07 0.00 0.21 0.00 0.00 52.86 53.91 2oux s ASN 207 Cb -0.17 -2.12 0.03 0.00 -0.55 0.00 0.00 41.25 38.44 2oux s ASN 207 CO 0.56 0.04 1.42 -0.33 -2.79 0.00 0.00 177.10 176.00 2oux h GLU 208 N 7.56 0.04 -2.84 0.43 5.08 -1.85 -2.27 114.58 120.73 2oux h GLU 208 Ca -0.38 -0.05 -0.70 0.00 -1.00 0.00 0.00 59.36 57.23 2oux h GLU 208 Cb 1.17 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 2oux h GLU 208 CO 0.66 0.86 3.24 0.54 -1.00 0.00 0.00 179.01 183.30 2oux n ARG 209 N -3.58 4.09 -2.56 2.33 1.74 -1.26 -4.75 116.66 112.67 2oux n ARG 209 Ca -0.01 -2.75 -0.42 0.00 -0.77 0.00 0.00 57.85 53.90 2oux n ARG 209 Cb 0.80 -2.73 -0.03 0.00 -1.02 0.00 0.00 32.46 29.48 2oux n ARG 209 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2oux s VAL 210 N 0.74 4.45 -0.04 1.55 0.11 -1.26 -5.02 120.40 120.93 2oux s VAL 210 Ca 0.63 1.75 -0.19 0.00 -2.93 0.00 0.00 61.98 61.24 2oux s VAL 210 Cb 0.18 -4.12 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 2oux s VAL 210 CO -0.08 0.12 0.54 -0.63 -3.33 0.00 0.00 175.10 171.73 2oux s ILE 211 N 1.16 5.01 0.24 7.04 1.09 -1.26 -5.04 121.20 129.44 2oux s ILE 211 Ca 0.55 1.12 -0.09 0.00 -1.10 0.00 0.00 60.65 61.13 2oux s ILE 211 Cb -0.25 -3.88 -0.01 0.00 -1.06 0.00 0.00 42.46 37.26 2oux s ILE 211 CO 0.28 0.40 0.38 -0.94 -0.10 0.00 0.00 174.94 174.96 2oux s SER 212 N -0.00 0.05 0.24 3.58 1.04 -1.26 -4.30 113.70 113.05 2oux s SER 212 Ca 0.29 -1.10 0.07 0.00 0.48 0.00 0.00 55.95 55.69 2oux s SER 212 Cb -0.17 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.43 2oux s SER 212 CO 0.15 -1.07 -0.11 0.68 0.98 0.00 0.00 173.24 173.87 2oux s VAL 213 N -3.99 1.73 0.10 5.02 -7.23 -0.56 -5.01 120.40 110.46 2oux s VAL 213 Ca 0.28 -2.19 -0.16 0.00 -1.81 0.00 0.00 61.98 58.10 2oux s VAL 213 Cb 0.02 -2.21 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 2oux s VAL 213 CO 0.11 -0.47 0.53 -2.28 -0.31 0.00 0.00 175.10 172.68 2oux s HIS 214 N -2.97 3.69 0.60 2.82 2.46 -1.26 -1.53 115.29 119.10 2oux s HIS 214 Ca 0.26 1.11 0.29 0.00 0.47 0.00 0.00 55.06 57.18 2oux s HIS 214 Cb 0.01 -2.39 1.53 0.00 -0.13 0.00 0.00 32.58 31.60 2oux s HIS 214 CO 0.09 0.51 1.93 -0.24 -2.47 0.00 0.00 174.74 174.57 2oux h VAL 215 N 3.16 0.32 -0.02 0.89 3.04 -1.21 -0.52 116.25 121.91 2oux h VAL 215 Ca -0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2oux h VAL 215 Cb 1.20 0.66 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2oux h VAL 215 CO 0.64 0.00 -0.01 0.61 -1.01 0.00 0.00 177.57 177.81 2oux n GLY 216 N -1.44 0.49 3.74 3.17 0.00 -1.26 -1.15 105.19 108.74 2oux n GLY 216 Ca 0.05 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 2oux n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2oux s ASP 217 N -2.01 4.51 0.02 1.61 1.01 -0.20 -4.70 116.67 116.92 2oux s ASP 217 Ca 0.33 2.18 -0.30 0.00 0.71 0.00 0.00 52.55 55.46 2oux s ASP 217 Cb 0.20 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.52 2oux s ASP 217 CO 0.32 -2.04 1.11 -0.62 0.21 0.00 0.00 175.17 174.15 2oux s ASP 218 N -2.34 7.19 0.36 0.27 2.15 -1.26 -1.34 116.67 121.70 2oux s ASP 218 Ca 0.70 1.85 0.18 0.00 0.43 0.00 0.00 52.55 55.71 2oux s ASP 218 Cb -0.25 -2.57 1.23 0.00 -0.30 0.00 0.00 42.92 41.03 2oux s ASP 218 CO 0.45 -0.40 1.62 0.06 -0.17 0.00 0.00 175.17 176.72 2oux h GLN 219 N 6.87 0.14 -0.69 4.34 3.07 -1.63 0.90 115.11 128.11 2oux h GLN 219 Ca -0.40 -0.01 0.01 0.00 0.09 0.00 0.00 58.65 58.34 2oux h GLN 219 Cb 1.21 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 28.70 2oux h GLN 219 CO 0.80 0.09 0.46 0.93 0.09 0.00 0.00 178.83 181.20 2oux h GLU 220 N 0.15 0.88 -0.33 0.06 5.08 -1.92 0.32 114.58 118.83 2oux h GLU 220 Ca 0.80 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.94 2oux h GLU 220 Cb 1.99 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 2oux h GLU 220 CO -0.70 0.58 -0.44 -0.44 -1.00 0.00 0.00 179.01 177.01 2oux h ASP 221 N 0.91 0.92 -0.22 1.42 3.32 0.43 -1.27 116.42 121.92 2oux h ASP 221 Ca 0.26 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2oux h ASP 221 Cb -0.06 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 2oux h ASP 221 CO -0.06 1.22 0.11 0.58 -1.72 0.00 0.00 179.24 179.38 2oux h VAL 222 N 0.68 1.12 -0.94 -1.35 2.07 -0.60 -1.69 116.25 115.54 2oux h VAL 222 Ca 0.04 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.30 2oux h VAL 222 Cb 1.03 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 2oux h VAL 222 CO 0.10 0.11 0.61 0.00 0.02 0.00 0.00 177.57 178.41 2oux h ALA 223 N 0.99 1.47 -0.57 1.67 0.00 -0.26 -1.59 119.26 120.98 2oux h ALA 223 Ca 0.08 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2oux h ALA 223 Cb 0.08 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2oux h ALA 223 CO -0.01 0.39 0.09 0.37 0.00 0.00 0.00 179.25 180.08 2oux h GLN 224 N 1.08 0.92 -0.63 0.00 5.75 -0.59 0.03 115.11 121.68 2oux h GLN 224 Ca 0.40 -0.22 -0.05 0.00 -0.15 0.00 0.00 58.65 58.63 2oux h GLN 224 Cb 0.18 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 2oux h GLN 224 CO -0.15 0.85 0.19 1.15 -2.65 0.00 0.00 178.83 178.22 2oux h THR 225 N 0.87 1.25 -0.34 2.39 2.02 -0.43 0.18 112.91 118.85 2oux h THR 225 Ca 0.18 -0.86 -0.10 0.00 0.77 0.00 0.00 66.41 66.40 2oux h THR 225 Cb 0.39 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2oux h THR 225 CO 0.01 0.33 -0.19 0.40 0.37 0.00 0.00 175.52 176.43 2oux h ILE 226 N 0.90 1.26 -0.09 3.11 5.03 -0.89 -0.69 117.51 126.15 2oux h ILE 226 Ca 0.20 -1.23 -0.03 0.00 -0.12 0.00 0.00 64.86 63.68 2oux h ILE 226 Cb 0.31 1.21 -0.00 0.00 -3.03 0.00 0.00 36.82 35.30 2oux h ILE 226 CO -0.00 0.41 -0.06 -0.09 -0.68 0.00 0.00 178.15 177.72 2oux h ARG 227 N 0.57 0.21 -0.12 2.37 2.43 -0.58 -1.58 114.38 117.67 2oux h ARG 227 Ca 0.09 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2oux h ARG 227 Cb 0.64 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2oux h ARG 227 CO 0.05 0.58 -0.05 -0.44 -1.51 0.00 0.00 179.97 178.60 2oux h ASP 228 N -0.17 0.26 0.14 -3.80 3.32 -0.50 -3.27 116.42 112.40 2oux h ASP 228 Ca 0.02 -0.40 0.00 0.00 0.02 0.00 0.00 57.03 56.67 2oux h ASP 228 Cb 0.53 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.01 2oux h ASP 228 CO 0.02 0.60 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.84 2oux n TYR 229 N -4.70 0.00 -3.96 4.55 4.01 -0.28 -4.94 117.16 111.84 2oux n TYR 229 Ca -0.06 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.39 2oux n TYR 229 Cb 0.27 -0.07 0.01 0.00 -0.31 0.00 0.00 39.34 39.23 2oux n TYR 229 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2oux n ASP 230 N -0.50 -3.05 -4.89 7.72 8.00 -0.60 -4.96 116.55 118.27 2oux n ASP 230 Ca 0.17 -0.88 -0.31 0.00 0.71 0.00 0.00 54.79 54.48 2oux n ASP 230 Cb 0.29 -3.50 -0.05 0.00 -0.02 0.00 0.00 41.12 37.84 2oux n ASP 230 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2oux s PHE 231 N -3.48 3.44 -1.65 1.24 0.08 -1.18 -4.97 117.98 111.46 2oux s PHE 231 Ca 0.45 0.78 0.25 0.00 0.12 0.00 0.00 56.93 58.53 2oux s PHE 231 Cb -0.24 -2.19 0.43 0.00 -0.57 0.00 0.00 43.02 40.46 2oux s PHE 231 CO 0.86 0.26 1.36 1.47 -0.10 0.00 0.00 175.22 179.07 2oux n LEU 232 N -0.34 1.21 -3.51 -0.37 -0.00 -1.26 -4.66 117.00 108.08 2oux n LEU 232 Ca -0.00 -0.38 -0.10 0.00 -0.00 0.00 0.00 56.01 55.53 2oux n LEU 232 Cb 0.53 -0.10 -0.03 0.00 -0.00 0.00 0.00 43.42 43.82 2oux n LEU 232 CO 0.46 0.24 0.65 0.00 -0.00 0.00 0.00 177.39 178.74 2oux s ALA 233 N -2.61 -1.81 -0.09 1.47 0.00 -1.26 -1.40 121.76 116.06 2oux s ALA 233 Ca 0.19 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 2oux s ALA 233 Cb 0.18 0.26 0.04 0.00 0.00 0.00 0.00 23.12 23.60 2oux s ALA 233 CO 0.59 -0.61 0.21 0.54 0.00 0.00 0.00 175.76 176.49 2oux s VAL 234 N -2.71 -0.04 0.58 0.00 0.11 -0.52 -4.96 120.40 112.85 2oux s VAL 234 Ca 0.02 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.03 2oux s VAL 234 Cb -0.01 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.48 2oux s VAL 234 CO -0.06 0.06 1.12 -2.16 -3.33 0.00 0.00 175.10 170.72 2oux s PRO 235 N 1.09 3.20 -0.05 1.54 0.04 -1.26 -1.43 135.00 138.13 2oux s PRO 235 Ca -0.08 1.52 0.06 0.00 0.04 0.00 0.00 61.00 62.53 2oux s PRO 235 Cb -0.10 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 2oux s PRO 235 CO -0.07 -0.95 -0.22 0.08 0.04 0.00 0.00 177.00 175.88 2oux s VAL 236 N -1.98 1.80 0.29 -0.36 1.01 0.19 -1.50 120.40 119.85 2oux s VAL 236 Ca 0.70 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.78 2oux s VAL 236 Cb -0.22 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2oux s VAL 236 CO 0.31 0.51 0.18 0.42 0.00 0.00 0.00 175.10 176.52 2oux s THR 237 N -0.16 0.21 0.46 3.92 -4.23 -0.58 0.44 115.64 115.70 2oux s THR 237 Ca -0.02 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 2oux s THR 237 Cb -0.12 -2.51 0.08 0.00 1.34 0.00 0.00 72.50 71.29 2oux s THR 237 CO 0.02 0.00 0.64 -0.90 -0.54 0.00 0.00 174.62 173.84 2oux n ASP 238 N -0.93 1.43 0.33 3.99 5.68 -1.13 -0.62 116.55 125.30 2oux n ASP 238 Ca 0.02 -2.07 0.21 0.00 -0.50 0.00 0.00 54.79 52.45 2oux n ASP 238 Cb 0.65 -0.36 1.13 0.00 -1.14 0.00 0.00 41.12 41.40 2oux n ASP 238 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2oux h TYR 239 N -0.09 0.00 -0.09 2.11 0.05 -1.99 -0.43 116.97 116.54 2oux h TYR 239 Ca -0.21 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.57 2oux h TYR 239 Cb 0.93 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.67 2oux h TYR 239 CO 0.00 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.86 2oux n ASP 240 N -3.20 1.43 -1.18 3.88 8.00 -1.26 -4.93 116.55 119.29 2oux n ASP 240 Ca -0.03 -1.57 -0.09 0.00 0.71 0.00 0.00 54.79 53.81 2oux n ASP 240 Cb 0.09 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2oux n ASP 240 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2oux n ASP 241 N 0.14 -3.30 -4.71 -2.24 8.00 -0.17 -4.92 116.55 109.36 2oux n ASP 241 Ca 0.18 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.23 2oux n ASP 241 Cb 0.32 -2.45 -0.05 0.00 -0.02 0.00 0.00 41.12 38.91 2oux n ASP 241 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2oux s HIS 242 N -2.57 3.54 -0.32 1.24 3.76 -1.26 -0.84 115.29 118.84 2oux s HIS 242 Ca 0.04 1.17 -0.29 0.00 -0.15 0.00 0.00 55.06 55.84 2oux s HIS 242 Cb -0.02 -2.78 -0.01 0.00 1.11 0.00 0.00 32.58 30.88 2oux s HIS 242 CO 0.05 0.06 1.65 -1.17 -0.85 0.00 0.00 174.74 174.49 2oux s LEU 243 N 0.92 3.64 -0.21 0.89 2.96 -0.85 -2.84 118.68 123.18 2oux s LEU 243 Ca 0.35 1.28 0.07 0.00 -0.22 0.00 0.00 54.13 55.62 2oux s LEU 243 Cb -0.17 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 2oux s LEU 243 CO 0.16 -1.51 -0.01 0.18 -1.32 0.00 0.00 176.35 173.86 2oux n LEU 244 N 9.38 1.77 0.00 -0.68 4.77 0.17 -4.99 117.00 127.42 2oux n LEU 244 Ca 0.20 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 2oux n LEU 244 Cb 0.47 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2oux n LEU 244 CO 0.68 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 178.09 2oux n GLY 245 N 2.01 0.65 3.06 -0.72 0.00 -1.13 -4.67 105.19 104.39 2oux n GLY 245 Ca -0.38 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 2oux n GLY 245 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2oux s ILE 246 N -2.11 0.44 -0.16 -0.61 -4.36 -0.51 0.57 121.20 114.46 2oux s ILE 246 Ca 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 2oux s ILE 246 Cb 0.00 -0.76 0.00 0.00 1.25 0.00 0.00 42.46 42.95 2oux s ILE 246 CO 0.00 -0.53 -0.16 -0.69 0.24 0.00 0.00 174.94 173.80 2oux s VAL 247 N -1.94 2.57 0.18 8.37 1.01 -0.51 -0.61 120.40 129.46 2oux s VAL 247 Ca -0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2oux s VAL 247 Cb -0.06 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 2oux s VAL 247 CO -0.02 0.51 0.40 0.42 0.00 0.00 0.00 175.10 176.42 2oux s THR 248 N 0.95 5.17 0.48 3.92 -4.23 -1.26 -1.44 115.64 119.22 2oux s THR 248 Ca -0.03 -0.13 0.15 0.00 -1.18 0.00 0.00 61.69 60.50 2oux s THR 248 Cb -0.15 -3.68 0.30 0.00 1.34 0.00 0.00 72.50 70.31 2oux s THR 248 CO -0.03 -0.09 2.07 1.62 -0.54 0.00 0.00 174.62 177.66 2oux h VAL 249 N 1.77 0.97 -0.43 2.29 3.04 -1.50 -2.10 116.25 120.28 2oux h VAL 249 Ca -0.47 -0.08 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 2oux h VAL 249 Cb 1.18 0.72 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2oux h VAL 249 CO 0.70 0.04 -0.02 -2.24 -1.01 0.00 0.00 177.57 175.04 2oux h ASP 250 N 0.22 0.68 0.58 3.17 -0.00 -1.95 -1.72 116.42 117.41 2oux h ASP 250 Ca 0.13 -0.16 -0.21 0.00 -0.00 0.00 0.00 57.03 56.78 2oux h ASP 250 Cb 0.25 -0.18 -0.01 0.00 -0.00 0.00 0.00 39.33 39.39 2oux h ASP 250 CO -0.02 0.77 -0.95 0.44 -0.00 0.00 0.00 179.24 179.47 2oux h ASP 251 N 0.67 0.31 -0.24 4.15 3.32 -1.80 -3.15 116.42 119.67 2oux h ASP 251 Ca 0.13 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 2oux h ASP 251 Cb 0.45 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.89 2oux h ASP 251 CO 0.02 1.10 0.04 0.40 -1.72 0.00 0.00 179.24 179.08 2oux h ILE 252 N 0.11 1.18 -0.82 0.35 2.04 -1.11 -0.71 117.51 118.55 2oux h ILE 252 Ca -0.06 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 2oux h ILE 252 Cb 1.61 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 2oux h ILE 252 CO 0.15 0.23 0.39 0.40 0.00 0.00 0.00 178.15 179.33 2oux h ILE 253 N 0.49 1.26 -0.63 -0.67 2.04 -1.28 0.27 117.51 118.99 2oux h ILE 253 Ca 0.11 -0.72 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 2oux h ILE 253 Cb 0.26 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2oux h ILE 253 CO 0.00 0.31 0.06 0.44 0.00 0.00 0.00 178.15 178.96 2oux h ASP 254 N 1.17 1.04 -0.19 1.72 3.32 -1.28 0.11 116.42 122.31 2oux h ASP 254 Ca 0.28 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.06 2oux h ASP 254 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 2oux h ASP 254 CO -0.04 1.06 0.11 0.58 -1.72 0.00 0.00 179.24 179.23 2oux h VAL 255 N 0.98 1.02 -0.99 -1.35 2.07 -0.53 -0.31 116.25 117.13 2oux h VAL 255 Ca 0.18 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.65 2oux h VAL 255 Cb 0.49 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2oux h VAL 255 CO 0.02 0.04 0.65 0.40 0.02 0.00 0.00 177.57 178.70 2oux h ILE 256 N 0.23 1.20 -0.77 4.57 2.04 -0.03 -0.43 117.51 124.31 2oux h ILE 256 Ca 0.07 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2oux h ILE 256 Cb -0.01 -0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 35.84 2oux h ILE 256 CO -0.03 0.23 0.36 0.44 0.00 0.00 0.00 178.15 179.15 2oux h ASP 257 N 1.28 1.01 -0.07 1.72 3.32 -0.12 -2.34 116.42 121.21 2oux h ASP 257 Ca 0.38 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2oux h ASP 257 Cb -0.06 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.23 2oux h ASP 257 CO -0.11 0.86 -0.03 0.44 -1.72 0.00 0.00 179.24 178.68 2oux h ASP 258 N 1.10 0.15 -0.91 6.45 3.32 0.11 -2.45 116.42 124.19 2oux h ASP 258 Ca 0.26 -0.40 0.09 0.00 0.02 0.00 0.00 57.03 57.00 2oux h ASP 258 Cb 0.13 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 2oux h ASP 258 CO -0.03 0.52 0.59 -0.33 -1.72 0.00 0.00 179.24 178.27 2oux h GLU 259 N -0.21 0.93 0.66 3.56 4.39 -1.00 -0.46 114.58 122.44 2oux h GLU 259 Ca 0.02 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 2oux h GLU 259 Cb 0.46 -0.21 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2oux h GLU 259 CO 0.01 0.62 -0.32 0.00 -1.16 0.00 0.00 179.01 178.16 2oux h ALA 260 N 1.53 -0.88 -0.73 3.43 0.00 -1.39 -2.97 119.26 118.25 2oux h ALA 260 Ca 0.41 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 55.32 2oux h ALA 260 Cb 0.33 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2oux h ALA 260 CO -0.17 -0.85 0.51 0.00 0.00 0.00 0.00 179.25 178.74 2oux h ALA 261 N -1.09 2.59 0.00 0.00 0.00 -1.23 -3.52 119.26 116.01 2oux h ALA 261 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2oux h ALA 261 Cb 0.70 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2oux h ALA 261 CO 0.15 -0.80 0.00 0.45 0.00 0.00 0.00 179.25 179.05