#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xak n LEU 5 N 0.00 -5.49 -5.00 1.20 0.00 -1.26 -4.61 117.00 101.84 2xak n LEU 5 Ca 0.00 2.03 -0.18 0.00 0.00 0.00 0.00 56.01 57.86 2xak n LEU 5 Cb 0.00 -2.86 0.00 0.00 0.00 0.00 0.00 43.42 40.56 2xak n LEU 5 CO 0.00 -3.05 0.10 -1.48 0.00 0.00 0.00 177.39 172.95 2xak s LEU 6 N -0.53 3.86 0.00 -1.96 2.34 -1.26 -2.57 118.68 118.56 2xak s LEU 6 Ca -0.17 -0.25 0.03 0.00 0.06 0.00 0.00 54.13 53.79 2xak s LEU 6 Cb 0.01 -2.73 -0.01 0.00 -0.56 0.00 0.00 46.19 42.90 2xak s LEU 6 CO 0.46 -0.55 -0.09 -0.69 -1.06 0.00 0.00 176.35 174.42 2xak s VAL 7 N -2.24 0.70 -0.24 1.48 1.01 0.57 -0.40 120.40 121.28 2xak s VAL 7 Ca 0.48 -0.47 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 2xak s VAL 7 Cb -0.10 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2xak s VAL 7 CO 0.32 0.13 0.52 -0.89 0.00 0.00 0.00 175.10 175.18 2xak s THR 8 N -0.34 5.08 0.80 3.92 2.01 -0.92 -2.11 115.64 124.07 2xak s THR 8 Ca 0.02 0.91 -0.12 0.00 0.31 0.00 0.00 61.69 62.82 2xak s THR 8 Cb -0.04 -3.84 0.07 0.00 0.01 0.00 0.00 72.50 68.70 2xak s THR 8 CO -0.00 0.11 1.11 -0.54 -0.69 0.00 0.00 174.62 174.61 2xak s LYS 9 N 2.13 2.08 0.00 4.92 -0.14 -0.79 -1.92 119.74 126.03 2xak s LYS 9 Ca 0.22 0.50 0.00 0.00 -1.36 0.00 0.00 55.97 55.33 2xak s LYS 9 Cb -0.16 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2xak s LYS 9 CO 0.09 -1.59 0.01 0.54 -0.76 0.00 0.00 175.35 173.64 2xak n ARG 10 N -3.39 0.01 0.00 1.68 5.12 -1.26 -2.37 116.66 116.44 2xak n ARG 10 Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 2xak n ARG 10 Cb 0.57 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 2xak n ARG 10 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2xak n ASP 11 N 1.76 0.00 0.00 0.55 4.64 -1.26 -5.01 116.55 117.23 2xak n ASP 11 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2xak n ASP 11 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 2xak n ASP 11 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2xak n GLY 12 N -0.34 2.93 2.30 0.27 0.00 -1.00 -5.09 105.19 104.26 2xak n GLY 12 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 2xak n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2xak n SER 13 N 0.00 -1.61 -3.66 1.61 3.41 -1.26 -4.83 113.62 107.29 2xak n SER 13 Ca 0.00 -0.96 -0.08 0.00 -0.26 0.00 0.00 58.87 57.58 2xak n SER 13 Cb 0.00 -0.65 -0.08 0.00 -0.26 0.00 0.00 64.21 63.21 2xak n SER 13 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2xak s THR 14 N -2.33 -0.05 0.32 6.66 -1.32 -1.26 -1.88 115.64 115.78 2xak s THR 14 Ca 0.46 0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.87 2xak s THR 14 Cb -0.04 -0.88 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 2xak s THR 14 CO 0.35 0.01 0.58 -1.83 -2.21 0.00 0.00 174.62 171.53 2xak s GLU 15 N 1.63 1.89 0.85 7.08 1.03 -0.90 -4.99 118.70 125.28 2xak s GLU 15 Ca -0.10 -1.45 -0.10 0.00 0.03 0.00 0.00 54.97 53.35 2xak s GLU 15 Cb -0.06 0.52 0.10 0.00 -0.80 0.00 0.00 34.13 33.89 2xak s GLU 15 CO -0.18 -0.82 1.12 1.03 -1.33 0.00 0.00 175.26 175.08 2xak s ARG 16 N -3.21 1.59 -0.14 -4.83 0.52 -1.26 -0.32 118.95 111.30 2xak s ARG 16 Ca 0.22 1.38 -0.25 0.00 -0.52 0.00 0.00 55.73 56.56 2xak s ARG 16 Cb -0.02 -1.81 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 2xak s ARG 16 CO 0.13 -2.18 0.83 -1.50 0.02 0.00 0.00 175.30 172.61 2xak s ILE 17 N -2.76 4.90 -0.92 1.52 -1.16 -1.06 -4.67 121.20 117.05 2xak s ILE 17 Ca 0.64 1.65 -0.18 0.00 -0.51 0.00 0.00 60.65 62.26 2xak s ILE 17 Cb -0.20 -4.14 0.15 0.00 0.61 0.00 0.00 42.46 38.88 2xak s ILE 17 CO 0.57 0.07 1.07 0.21 -2.81 0.00 0.00 174.94 174.05 2xak s ASN 18 N 1.09 6.67 0.39 4.50 3.84 -1.26 -4.89 114.94 125.29 2xak s ASN 18 Ca 0.39 -2.21 0.08 0.00 0.21 0.00 0.00 52.86 51.34 2xak s ASN 18 Cb -0.17 -2.36 0.78 0.00 -0.55 0.00 0.00 41.25 38.95 2xak s ASN 18 CO 0.14 -0.96 1.95 -0.07 -2.79 0.00 0.00 177.10 175.38 2xak h LEU 19 N 9.87 0.33 0.00 3.21 3.38 -2.00 -2.11 115.31 127.99 2xak h LEU 19 Ca 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2xak h LEU 19 Cb 1.02 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2xak h LEU 19 CO 1.04 0.40 -0.55 -2.24 0.09 0.00 0.00 178.44 177.18 2xak h ASP 20 N 0.36 0.00 0.28 -0.43 2.03 -1.98 -1.91 116.42 114.77 2xak h ASP 20 Ca 0.08 -0.09 -0.01 0.00 -0.73 0.00 0.00 57.03 56.27 2xak h ASP 20 Cb 0.25 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.75 2xak h ASP 20 CO 0.01 0.05 -0.14 0.50 -1.03 0.00 0.00 179.24 178.63 2xak h LYS 21 N 0.00 -0.37 -0.38 4.15 3.11 -1.81 -0.71 116.57 120.56 2xak h LYS 21 Ca 0.00 0.03 0.08 0.00 -2.81 0.00 0.00 60.65 57.95 2xak h LYS 21 Cb 0.86 0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 32.08 2xak h LYS 21 CO 0.00 -0.08 -0.26 0.82 -2.81 0.00 0.00 179.45 177.13 2xak h ILE 22 N -0.66 0.33 -0.92 2.00 2.04 -1.45 -1.27 117.51 117.57 2xak h ILE 22 Ca -0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2xak h ILE 22 Cb 0.46 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.79 2xak h ILE 22 CO 0.06 0.00 0.57 -0.74 0.00 0.00 0.00 178.15 178.04 2xak h HIS 23 N -0.20 1.04 -0.12 1.37 2.76 -1.31 -1.25 115.15 117.44 2xak h HIS 23 Ca 0.18 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2xak h HIS 23 Cb 0.49 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.11 2xak h HIS 23 CO -0.47 0.46 0.06 0.00 -1.30 0.00 0.00 177.93 176.68 2xak h ARG 24 N 0.96 0.12 -0.90 5.26 3.08 -0.38 -0.12 114.38 122.41 2xak h ARG 24 Ca 0.43 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.46 2xak h ARG 24 Cb 0.33 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 2xak h ARG 24 CO -0.23 0.08 0.50 0.28 -1.07 0.00 0.00 179.97 179.54 2xak h VAL 25 N 0.13 1.26 -0.51 2.04 2.07 -0.46 0.20 116.25 120.98 2xak h VAL 25 Ca 0.05 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 2xak h VAL 25 Cb 0.00 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.79 2xak h VAL 25 CO -0.03 0.29 0.13 -0.07 0.02 0.00 0.00 177.57 177.91 2xak h LEU 26 N 1.25 0.76 -0.48 2.57 3.38 -1.10 -1.91 115.31 119.79 2xak h LEU 26 Ca 0.32 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 58.12 2xak h LEU 26 Cb 0.02 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.51 2xak h LEU 26 CO -0.05 0.79 0.18 -0.78 0.09 0.00 0.00 178.44 178.68 2xak h ASP 27 N 0.70 0.21 -0.16 -0.43 1.82 -0.32 -0.29 116.42 117.95 2xak h ASP 27 Ca 0.16 0.05 0.03 0.00 -0.39 0.00 0.00 57.03 56.88 2xak h ASP 27 Cb 0.32 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 2xak h ASP 27 CO 0.00 0.15 -0.00 -0.25 -1.61 0.00 0.00 179.24 177.53 2xak h TRP 28 N 0.37 -0.01 0.00 0.28 7.01 -0.83 -2.68 115.95 120.09 2xak h TRP 28 Ca 0.22 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.24 2xak h TRP 28 Cb 0.21 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2xak h TRP 28 CO -0.15 -0.02 0.00 0.00 -2.79 0.00 0.00 178.44 175.48 2xak h ALA 29 N 1.14 1.00 0.00 2.65 0.00 -0.71 -2.21 119.26 121.12 2xak h ALA 29 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2xak h ALA 29 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2xak h ALA 29 CO -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 179.25 178.74 2xak h ALA 30 N 2.00 0.82 -0.92 0.00 0.00 -0.74 -3.40 119.26 117.01 2xak h ALA 30 Ca 0.00 -0.08 -0.81 0.00 0.00 0.00 0.00 54.91 54.02 2xak h ALA 30 Cb 0.41 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 2xak h ALA 30 CO 0.00 0.10 0.63 -1.91 0.00 0.00 0.00 179.25 178.07 2xak n GLU 31 N -2.99 0.00 0.00 0.00 4.07 -0.83 -0.69 120.64 120.19 2xak n GLU 31 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2xak n GLU 31 Cb 0.57 -1.38 0.00 0.00 -0.06 0.00 0.00 31.44 30.57 2xak n GLU 31 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2xak n GLY 32 N 3.68 3.05 3.83 8.31 0.00 -1.26 -5.03 105.19 117.77 2xak n GLY 32 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2xak n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xak s LEU 33 N 0.00 4.20 -0.00 0.99 1.43 0.13 -5.07 118.68 120.35 2xak s LEU 33 Ca 0.00 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 2xak s LEU 33 Cb 0.00 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 42.29 2xak s LEU 33 CO 0.00 -0.10 -0.05 -1.00 0.23 0.00 0.00 176.35 175.43 2xak s HIS 34 N -1.77 2.94 -1.00 0.29 3.76 -1.26 -4.71 115.29 113.53 2xak s HIS 34 Ca 0.50 -0.00 -0.01 0.00 -0.15 0.00 0.00 55.06 55.39 2xak s HIS 34 Cb -0.14 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 31.93 2xak s HIS 34 CO 0.19 0.39 0.14 -1.71 -0.85 0.00 0.00 174.74 172.91 2xak n ASN 35 N 1.55 -4.05 -4.38 1.40 5.15 -1.26 -4.54 115.26 109.14 2xak n ASN 35 Ca -0.15 -0.07 -0.32 0.00 -0.60 0.00 0.00 54.58 53.44 2xak n ASN 35 Cb 0.53 -3.13 -0.15 0.00 -0.53 0.00 0.00 39.78 36.50 2xak n ASN 35 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2xak s VAL 36 N -2.73 2.45 -0.24 3.44 -7.23 -1.26 -4.79 120.40 110.04 2xak s VAL 36 Ca 0.07 -0.97 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 2xak s VAL 36 Cb -0.03 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 2xak s VAL 36 CO 0.09 0.58 0.06 -0.55 -0.31 0.00 0.00 175.10 174.97 2xak s SER 37 N -0.68 5.14 0.27 4.85 0.15 -1.26 -4.96 113.70 117.21 2xak s SER 37 Ca 0.11 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.63 2xak s SER 37 Cb -0.10 -1.92 0.38 0.00 -1.71 0.00 0.00 66.02 62.67 2xak s SER 37 CO -0.00 -0.01 1.65 0.40 1.20 0.00 0.00 173.24 176.48 2xak h ILE 38 N 5.47 1.34 -0.06 6.45 2.04 -2.00 -3.07 117.51 127.68 2xak h ILE 38 Ca -0.38 -1.70 -0.23 0.00 1.00 0.00 0.00 64.86 63.56 2xak h ILE 38 Cb 1.17 1.80 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 2xak h ILE 38 CO 0.59 0.50 -0.88 0.77 0.00 0.00 0.00 178.15 179.13 2xak h SER 39 N 0.19 0.73 -0.29 1.72 4.64 -1.99 -2.78 113.55 115.77 2xak h SER 39 Ca 0.01 -0.53 0.06 0.00 -0.47 0.00 0.00 61.79 60.86 2xak h SER 39 Cb 0.93 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.73 2xak h SER 39 CO 0.07 1.32 -0.14 1.56 -0.87 0.00 0.00 176.83 178.78 2xak h GLN 40 N 0.37 -0.09 -0.97 4.77 1.08 -1.97 0.02 115.11 118.31 2xak h GLN 40 Ca -0.07 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.18 2xak h GLN 40 Cb 1.51 0.02 -0.06 0.00 -0.05 0.00 0.00 27.48 28.90 2xak h GLN 40 CO 0.17 -0.06 0.63 0.28 -0.95 0.00 0.00 178.83 178.90 2xak h VAL 41 N -0.10 1.14 0.30 -0.54 2.07 -1.45 -2.13 116.25 115.55 2xak h VAL 41 Ca 0.15 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2xak h VAL 41 Cb 0.32 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 2xak h VAL 41 CO -0.35 0.22 -0.14 -0.33 0.02 0.00 0.00 177.57 176.98 2xak h GLU 42 N 1.19 -0.39 -0.61 1.57 5.08 -1.12 -1.93 114.58 118.37 2xak h GLU 42 Ca 0.39 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.90 2xak h GLU 42 Cb 0.06 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 29.28 2xak h GLU 42 CO -0.13 -0.05 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.53 2xak h LEU 43 N -0.87 -0.82 -1.43 1.33 3.38 -0.90 0.95 115.31 116.95 2xak h LEU 43 Ca -0.04 0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2xak h LEU 43 Cb 0.52 0.47 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 2xak h LEU 43 CO 0.07 -0.25 -0.06 0.03 0.09 0.00 0.00 178.44 178.31 2xak h ARG 44 N -0.08 0.30 0.00 1.13 3.08 -1.41 -3.13 114.38 114.27 2xak h ARG 44 Ca 0.28 -0.06 -0.37 0.00 0.07 0.00 0.00 59.98 59.90 2xak h ARG 44 Cb 0.51 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.44 2xak h ARG 44 CO -0.66 0.38 -2.39 -1.13 -1.07 0.00 0.00 179.97 175.10 2xak n SER 45 N -4.31 0.41 -0.23 7.04 3.41 -0.50 -4.48 113.62 114.96 2xak n SER 45 Ca -0.00 -0.03 -0.09 0.00 -0.26 0.00 0.00 58.87 58.50 2xak n SER 45 Cb 0.23 0.74 0.03 0.00 -0.26 0.00 0.00 64.21 64.95 2xak n SER 45 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2xak h HIS 46 N 0.00 1.19 0.00 7.33 3.86 0.82 -2.18 115.15 126.17 2xak h HIS 46 Ca -0.55 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 58.47 2xak h HIS 46 Cb 2.17 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 30.33 2xak h HIS 46 CO 0.01 1.02 0.19 0.97 0.86 0.00 0.00 177.93 180.97 2xak h ILE 47 N 1.02 0.00 -0.01 2.45 6.09 -1.73 0.74 117.51 126.07 2xak h ILE 47 Ca 0.19 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.68 2xak h ILE 47 Cb 0.51 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.21 2xak h ILE 47 CO 0.02 0.00 -0.65 0.00 -3.07 0.00 0.00 178.15 174.45 2xak n GLN 48 N -2.21 0.92 -2.50 2.19 6.02 -0.82 -4.95 117.38 116.04 2xak n GLN 48 Ca -0.01 -0.58 -0.41 0.00 -0.01 0.00 0.00 57.00 55.99 2xak n GLN 48 Cb 0.21 -1.44 -0.04 0.00 1.02 0.00 0.00 30.24 29.99 2xak n GLN 48 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2xak s PHE 49 N -2.58 3.55 0.12 1.08 0.08 0.25 -5.04 117.98 115.43 2xak s PHE 49 Ca 0.13 1.53 0.07 0.00 0.12 0.00 0.00 56.93 58.78 2xak s PHE 49 Cb 0.16 -3.31 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 2xak s PHE 49 CO 0.66 -0.76 -0.17 1.52 -0.10 0.00 0.00 175.22 176.37 2xak s TYR 50 N 0.15 1.57 -0.25 0.36 -0.85 -1.26 -5.07 117.35 112.00 2xak s TYR 50 Ca 0.52 -0.48 -0.33 0.00 -0.52 0.00 0.00 57.07 56.26 2xak s TYR 50 Cb -0.29 -0.83 -0.09 0.00 0.38 0.00 0.00 41.96 41.13 2xak s TYR 50 CO 0.33 0.19 2.13 -3.47 -1.52 0.00 0.00 175.55 173.21 2xak n ASP 51 N 0.74 2.81 0.00 -0.18 2.03 -1.26 -1.36 116.55 119.32 2xak n ASP 51 Ca -0.17 0.48 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2xak n ASP 51 Cb 0.56 -1.38 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2xak n ASP 51 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2xak n GLY 52 N 5.78 0.42 3.60 0.27 0.00 0.47 -4.91 105.19 110.82 2xak n GLY 52 Ca 0.33 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.85 2xak n GLY 52 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2xak n ILE 53 N -1.47 0.34 -1.86 -0.61 3.06 -0.47 -3.71 119.36 114.64 2xak n ILE 53 Ca 0.00 -0.09 -0.31 0.00 -2.50 0.00 0.00 62.75 59.85 2xak n ILE 53 Cb 0.00 -0.92 0.01 0.00 0.54 0.00 0.00 39.64 39.28 2xak n ILE 53 CO 0.00 0.00 0.00 -1.59 -2.50 0.00 0.00 176.55 172.46 2xak s LYS 54 N 0.19 3.46 0.25 9.51 -2.85 -1.26 -2.16 119.74 126.88 2xak s LYS 54 Ca 0.79 0.84 0.01 0.00 -1.00 0.00 0.00 55.97 56.61 2xak s LYS 54 Cb -0.88 -2.06 0.32 0.00 -2.06 0.00 0.00 37.83 33.14 2xak s LYS 54 CO 0.48 -0.68 1.66 1.15 0.10 0.00 0.00 175.35 178.07 2xak h THR 55 N -0.25 1.28 -0.92 3.79 2.02 -1.69 -1.95 112.91 115.19 2xak h THR 55 Ca -0.44 -1.40 0.25 0.00 0.77 0.00 0.00 66.41 65.59 2xak h THR 55 Cb 1.20 1.43 -0.16 0.00 -1.74 0.00 0.00 68.15 68.87 2xak h THR 55 CO 0.60 0.44 0.11 0.28 0.37 0.00 0.00 175.52 177.33 2xak h SER 56 N 0.45 -0.28 1.34 4.18 0.02 -1.94 -0.57 113.55 116.75 2xak h SER 56 Ca 0.06 0.24 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2xak h SER 56 Cb 0.77 0.39 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 2xak h SER 56 CO 0.06 -0.27 -0.57 0.44 -1.14 0.00 0.00 176.83 175.35 2xak h ASP 57 N 0.08 0.00 -0.45 3.07 3.32 -1.74 -3.00 116.42 117.70 2xak h ASP 57 Ca 0.57 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.54 2xak h ASP 57 Cb 1.16 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 2xak h ASP 57 CO -0.79 0.57 -0.01 0.40 -1.72 0.00 0.00 179.24 177.69 2xak h ILE 58 N 0.00 1.26 -0.19 0.35 2.04 -0.84 -1.91 117.51 118.22 2xak h ILE 58 Ca -0.01 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 2xak h ILE 58 Cb 1.39 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2xak h ILE 58 CO 0.07 0.37 0.02 0.45 0.00 0.00 0.00 178.15 179.06 2xak h HIS 59 N 0.64 0.34 -0.59 1.37 3.86 -1.51 -1.42 115.15 117.85 2xak h HIS 59 Ca 0.13 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2xak h HIS 59 Cb 0.51 -0.09 -0.03 0.00 1.06 0.00 0.00 27.41 28.86 2xak h HIS 59 CO 0.04 0.49 0.39 0.93 0.86 0.00 0.00 177.93 180.64 2xak h GLU 60 N 0.10 0.74 -0.12 2.45 5.08 -1.50 0.73 114.58 122.05 2xak h GLU 60 Ca 0.06 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2xak h GLU 60 Cb 0.34 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2xak h GLU 60 CO 0.01 0.49 -0.17 1.15 -1.00 0.00 0.00 179.01 179.49 2xak h THR 61 N 0.76 1.37 0.00 1.13 2.02 -1.29 -1.44 112.91 115.46 2xak h THR 61 Ca 0.22 -1.39 -0.04 0.00 0.77 0.00 0.00 66.41 65.97 2xak h THR 61 Cb -0.04 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 2xak h THR 61 CO -0.05 0.40 -0.19 0.16 0.37 0.00 0.00 175.52 176.21 2xak h ILE 62 N -0.08 0.45 0.07 3.11 -2.65 -0.54 -0.17 117.51 117.70 2xak h ILE 62 Ca 0.01 -1.06 -0.00 0.00 1.03 0.00 0.00 64.86 64.83 2xak h ILE 62 Cb 0.73 1.77 0.00 0.00 -2.05 0.00 0.00 36.82 37.27 2xak h ILE 62 CO 0.04 0.19 -0.03 0.40 0.03 0.00 0.00 178.15 178.77 2xak h ILE 63 N 0.00 1.18 -0.82 0.16 2.04 0.43 -2.92 117.51 117.58 2xak h ILE 63 Ca -0.00 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.41 2xak h ILE 63 Cb 0.75 2.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.83 2xak h ILE 63 CO 0.02 0.33 0.54 0.50 0.00 0.00 0.00 178.15 179.55 2xak h LYS 64 N -0.82 1.07 -0.08 2.37 3.64 -1.25 0.17 116.57 121.66 2xak h LYS 64 Ca -0.01 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2xak h LYS 64 Cb 0.61 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2xak h LYS 64 CO 0.02 0.70 0.05 0.00 -2.27 0.00 0.00 179.45 177.95 2xak h ALA 65 N 1.49 0.10 -0.87 5.00 0.00 -1.09 0.27 119.26 124.17 2xak h ALA 65 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2xak h ALA 65 Cb -0.10 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2xak h ALA 65 CO -0.07 -0.38 0.55 0.00 0.00 0.00 0.00 179.25 179.34 2xak h ALA 66 N 0.99 1.32 -0.76 0.00 0.00 -1.30 -2.94 119.26 116.58 2xak h ALA 66 Ca 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2xak h ALA 66 Cb 0.03 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2xak h ALA 66 CO -0.01 0.60 0.25 0.00 0.00 0.00 0.00 179.25 180.09 2xak h ALA 67 N 1.41 1.01 0.00 0.00 0.00 0.24 -2.88 119.26 119.04 2xak h ALA 67 Ca 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2xak h ALA 67 Cb -0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.41 2xak h ALA 67 CO -0.06 0.67 0.00 -0.25 0.00 0.00 0.00 179.25 179.61 2xak n ASP 68 N -4.25 0.40 -0.04 0.00 8.00 0.88 -2.42 116.55 119.12 2xak n ASP 68 Ca 0.06 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.28 2xak n ASP 68 Cb 0.22 -0.68 0.24 0.00 -0.02 0.00 0.00 41.12 40.88 2xak n ASP 68 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2xak n LEU 69 N -1.94 0.63 -4.68 0.64 4.77 -1.09 -4.93 117.00 110.41 2xak n LEU 69 Ca 0.03 -0.09 -0.45 0.00 -0.03 0.00 0.00 56.01 55.47 2xak n LEU 69 Cb 0.20 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 2xak n LEU 69 CO 0.17 0.15 1.35 -0.38 -1.33 0.00 0.00 177.39 177.35 2xak n ILE 70 N -1.36 0.24 -3.74 -0.08 5.41 -1.02 -4.82 119.36 113.99 2xak n ILE 70 Ca 0.06 -0.04 -0.09 0.00 1.00 0.00 0.00 62.75 63.68 2xak n ILE 70 Cb 0.34 -1.81 -0.02 0.00 -0.71 0.00 0.00 39.64 37.43 2xak n ILE 70 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 2xak s SER 71 N 2.17 -0.33 0.44 4.38 1.04 -1.22 -5.00 113.70 115.18 2xak s SER 71 Ca 0.83 -0.46 0.12 0.00 0.48 0.00 0.00 55.95 56.92 2xak s SER 71 Cb -0.62 0.66 1.02 0.00 0.10 0.00 0.00 66.02 67.18 2xak s SER 71 CO 0.40 -1.19 2.02 0.08 0.98 0.00 0.00 173.24 175.53 2xak h ARG 72 N 2.05 0.39 0.04 4.02 -0.00 -1.95 -2.19 114.38 116.74 2xak h ARG 72 Ca -0.25 -0.02 -0.22 0.00 -0.00 0.00 0.00 59.98 59.49 2xak h ARG 72 Cb 1.27 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.97 31.14 2xak h ARG 72 CO 0.30 0.26 -1.02 -0.44 -0.00 0.00 0.00 179.97 179.07 2xak h ASP 73 N 0.40 0.21 -2.38 0.08 3.32 -1.96 -3.35 116.42 112.74 2xak h ASP 73 Ca 0.21 -0.20 -0.60 0.00 0.02 0.00 0.00 57.03 56.46 2xak h ASP 73 Cb 0.33 -0.07 -0.42 0.00 0.22 0.00 0.00 39.33 39.40 2xak h ASP 73 CO -0.05 1.09 -0.63 0.00 -1.72 0.00 0.00 179.24 177.93 2xak n ALA 74 N -2.44 3.78 0.25 3.45 0.00 -0.94 -4.93 120.51 119.67 2xak n ALA 74 Ca -0.04 -4.58 0.12 0.00 0.00 0.00 0.00 53.44 48.94 2xak n ALA 74 Cb 0.91 -0.92 0.60 0.00 0.00 0.00 0.00 19.45 20.04 2xak n ALA 74 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2xak h PRO 75 N 4.46 0.00 0.00 0.00 0.13 -1.55 -3.13 132.00 131.91 2xak h PRO 75 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2xak h PRO 75 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 2xak h PRO 75 CO 0.77 0.16 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 2xak n ASP 76 N -3.42 0.55 -0.34 1.44 9.92 -1.26 -1.98 116.55 121.46 2xak n ASP 76 Ca -0.01 0.65 0.06 0.00 -0.53 0.00 0.00 54.79 54.96 2xak n ASP 76 Cb 0.34 -0.76 0.24 0.00 -0.64 0.00 0.00 41.12 40.30 2xak n ASP 76 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2xak h TYR 77 N 0.00 1.10 -1.00 1.24 0.05 -1.88 0.50 116.97 116.99 2xak h TYR 77 Ca 0.00 0.03 0.40 0.00 0.05 0.00 0.00 58.73 59.21 2xak h TYR 77 Cb 0.30 -0.36 -0.18 0.00 1.01 0.00 0.00 36.73 37.51 2xak h TYR 77 CO 0.00 0.50 0.53 0.37 -1.05 0.00 0.00 178.16 178.51 2xak h GLN 78 N 1.02 0.05 0.18 4.88 4.15 -1.64 0.10 115.11 123.84 2xak h GLN 78 Ca 0.45 -0.00 -0.36 0.00 0.77 0.00 0.00 58.65 59.51 2xak h GLN 78 Cb 0.36 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.05 2xak h GLN 78 CO -0.21 0.03 -1.80 1.88 -1.93 0.00 0.00 178.83 176.81 2xak h TYR 79 N 0.05 0.69 -0.59 3.99 0.05 -1.10 -0.02 116.97 120.03 2xak h TYR 79 Ca 0.82 -0.50 0.04 0.00 0.05 0.00 0.00 58.73 59.15 2xak h TYR 79 Cb 2.13 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 39.80 2xak h TYR 79 CO -0.02 1.70 0.33 1.25 -1.05 0.00 0.00 178.16 180.36 2xak h LEU 80 N 0.10 0.49 -0.91 3.88 5.85 -0.52 -0.18 115.31 124.02 2xak h LEU 80 Ca -0.36 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2xak h LEU 80 Cb 2.09 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 43.00 2xak h LEU 80 CO 0.16 0.33 0.53 0.00 -0.34 0.00 0.00 178.44 179.13 2xak h ALA 81 N 1.29 1.17 0.17 1.25 0.00 -1.03 -2.43 119.26 119.68 2xak h ALA 81 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2xak h ALA 81 Cb 0.12 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2xak h ALA 81 CO -0.15 0.65 -0.08 0.00 0.00 0.00 0.00 179.25 179.67 2xak h ALA 82 N 1.29 -0.23 -0.60 0.00 0.00 -1.48 0.71 119.26 118.94 2xak h ALA 82 Ca 0.32 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 55.14 2xak h ALA 82 Cb -0.02 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 2xak h ALA 82 CO -0.06 -0.44 -0.43 0.00 0.00 0.00 0.00 179.25 178.33 2xak h ARG 83 N -0.61 -0.20 -0.88 0.00 2.47 -1.05 0.71 114.38 114.82 2xak h ARG 83 Ca -0.02 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.73 2xak h ARG 83 Cb 0.45 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.77 2xak h ARG 83 CO 0.04 -0.13 0.58 -0.07 0.56 0.00 0.00 179.97 180.94 2xak h LEU 84 N -0.21 0.98 -0.68 3.04 3.38 -1.36 0.79 115.31 121.26 2xak h LEU 84 Ca 0.19 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.02 2xak h LEU 84 Cb 0.56 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2xak h LEU 84 CO -0.70 0.69 -0.22 0.00 0.09 0.00 0.00 178.44 178.30 2xak h ALA 85 N 1.47 0.86 -0.08 1.53 0.00 0.74 -1.49 119.26 122.29 2xak h ALA 85 Ca 0.33 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2xak h ALA 85 Cb -0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2xak h ALA 85 CO -0.08 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.65 2xak h ILE 86 N 0.69 1.14 -0.24 0.00 1.08 0.11 -0.13 117.51 120.17 2xak h ILE 86 Ca 0.10 -0.41 0.05 0.00 -0.39 0.00 0.00 64.86 64.20 2xak h ILE 86 Cb 0.74 1.27 -0.07 0.00 -3.07 0.00 0.00 36.82 35.68 2xak h ILE 86 CO 0.06 0.12 -0.45 0.15 -0.69 0.00 0.00 178.15 177.33 2xak h PHE 87 N -0.02 -1.33 -0.30 1.37 3.57 -0.82 -0.64 116.94 118.77 2xak h PHE 87 Ca 0.03 0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2xak h PHE 87 Cb 0.16 0.61 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 2xak h PHE 87 CO -0.02 -0.48 0.10 1.25 -2.23 0.00 0.00 178.31 176.93 2xak h HIS 88 N -0.45 0.43 -0.03 0.41 2.76 -1.19 -2.46 115.15 114.62 2xak h HIS 88 Ca 0.09 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.10 2xak h HIS 88 Cb 0.62 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 2xak h HIS 88 CO -0.56 0.36 -0.62 -0.07 -1.30 0.00 0.00 177.93 175.73 2xak h LEU 89 N 0.43 0.12 0.43 0.26 3.38 -0.50 -2.65 115.31 116.79 2xak h LEU 89 Ca 0.11 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2xak h LEU 89 Cb 0.13 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2xak h LEU 89 CO -0.01 0.71 -0.21 0.03 0.09 0.00 0.00 178.44 179.06 2xak h ARG 90 N 0.08 -0.56 -0.53 1.13 2.47 -0.65 -2.84 114.38 113.48 2xak h ARG 90 Ca -0.01 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.84 2xak h ARG 90 Cb 1.12 0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 29.49 2xak h ARG 90 CO 0.09 -0.33 0.13 0.87 0.56 0.00 0.00 179.97 181.29 2xak h LYS 91 N -0.65 0.27 -0.47 0.04 1.57 -1.51 0.54 116.57 116.35 2xak h LYS 91 Ca -0.06 -0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 2xak h LYS 91 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 2xak h LYS 91 CO 0.10 0.18 0.41 -0.22 -0.57 0.00 0.00 179.45 179.34 2xak h LYS 92 N 0.28 0.00 0.00 3.15 1.63 -1.46 0.00 116.57 120.18 2xak h LYS 92 Ca 0.27 0.00 -0.24 0.00 -0.85 0.00 0.00 60.65 59.83 2xak h LYS 92 Cb 0.35 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.94 2xak h LYS 92 CO -0.32 0.00 -1.89 0.00 -3.45 0.00 0.00 179.45 173.79 2xak n ALA 93 N -2.49 1.68 -0.26 5.00 0.00 0.12 -4.46 120.51 120.09 2xak n ALA 93 Ca 0.09 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2xak n ALA 93 Cb 0.61 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2xak n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2xak n TYR 94 N -2.57 0.00 0.00 0.00 4.01 0.17 -4.85 117.16 113.92 2xak n TYR 94 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2xak n TYR 94 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.92 2xak n TYR 94 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2xak n GLY 95 N 0.05 1.79 3.65 2.72 0.00 -0.02 -4.90 105.19 108.47 2xak n GLY 95 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2xak n GLY 95 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2xak s GLN 96 N 0.00 1.66 0.16 1.61 -2.07 -1.26 -4.87 119.66 114.89 2xak s GLN 96 Ca 0.00 -1.25 -0.10 0.00 -1.82 0.00 0.00 55.36 52.19 2xak s GLN 96 Cb 0.00 0.50 0.01 0.00 -1.09 0.00 0.00 33.01 32.44 2xak s GLN 96 CO 0.00 -0.71 1.56 0.35 -1.32 0.00 0.00 175.29 175.16 2xak h PHE 97 N 2.18 1.16 -3.13 9.60 3.57 -1.89 -3.32 116.94 125.10 2xak h PHE 97 Ca -0.25 -0.27 -0.57 0.00 3.53 0.00 0.00 57.97 60.40 2xak h PHE 97 Cb 1.25 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 2xak h PHE 97 CO 0.54 1.11 0.89 -1.21 -2.23 0.00 0.00 178.31 177.41 2xak s GLU 98 N -4.71 4.10 0.60 1.11 0.41 -1.26 -4.90 118.70 114.04 2xak s GLU 98 Ca -0.11 1.32 -0.18 0.00 -0.41 0.00 0.00 54.97 55.59 2xak s GLU 98 Cb 0.12 -3.77 -0.03 0.00 -1.78 0.00 0.00 34.13 28.68 2xak s GLU 98 CO 0.87 -0.87 1.14 -2.14 -0.49 0.00 0.00 175.26 173.77 2xak s PRO 99 N 3.68 3.06 1.03 0.39 0.02 -1.26 -5.01 135.00 136.91 2xak s PRO 99 Ca 0.50 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.98 2xak s PRO 99 Cb -0.16 -1.97 0.20 0.00 0.02 0.00 0.00 34.50 32.59 2xak s PRO 99 CO 0.16 -1.08 1.07 -1.25 -0.33 0.00 0.00 177.00 175.57 2xak s PRO 100 N -3.58 0.19 0.43 5.54 0.04 -1.26 -4.97 135.00 131.39 2xak s PRO 100 Ca 0.72 0.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 2xak s PRO 100 Cb -0.24 -1.69 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2xak s PRO 100 CO 0.33 -2.96 1.26 0.00 0.04 0.00 0.00 177.00 175.67 2xak s ALA 101 N -2.76 3.12 0.25 8.56 0.00 -1.26 -4.85 121.76 124.82 2xak s ALA 101 Ca 0.66 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.71 2xak s ALA 101 Cb -0.21 -3.46 0.49 0.00 0.00 0.00 0.00 23.12 19.94 2xak s ALA 101 CO 0.60 -0.81 1.67 1.25 0.00 0.00 0.00 175.76 178.46 2xak h LEU 102 N 2.38 -0.08 0.04 0.00 5.85 -1.93 -2.18 115.31 119.38 2xak h LEU 102 Ca -0.50 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2xak h LEU 102 Cb 1.25 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.50 2xak h LEU 102 CO 0.61 -0.09 -0.17 0.22 -0.34 0.00 0.00 178.44 178.67 2xak h TYR 103 N 0.21 -0.45 -0.41 1.25 3.20 -1.91 -1.74 116.97 117.12 2xak h TYR 103 Ca 0.43 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.35 2xak h TYR 103 Cb 0.77 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.20 2xak h TYR 103 CO -0.30 -0.25 0.20 -0.44 -1.64 0.00 0.00 178.16 175.73 2xak h ASP 104 N -0.30 0.30 0.02 -2.11 3.32 -1.78 -1.55 116.42 114.31 2xak h ASP 104 Ca 0.04 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.14 2xak h ASP 104 Cb 0.35 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 2xak h ASP 104 CO -0.14 0.21 -0.27 -0.74 -1.72 0.00 0.00 179.24 176.58 2xak h HIS 105 N 0.41 -0.74 -0.29 4.55 2.76 -1.28 -0.68 115.15 119.89 2xak h HIS 105 Ca 0.18 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.39 2xak h HIS 105 Cb 0.08 0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 2xak h HIS 105 CO -0.10 -0.37 0.14 0.28 -1.30 0.00 0.00 177.93 176.58 2xak h VAL 106 N -0.43 0.98 -0.09 5.26 2.07 -0.91 -0.14 116.25 122.99 2xak h VAL 106 Ca 0.06 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2xak h VAL 106 Cb 0.51 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 2xak h VAL 106 CO -0.22 0.05 -0.06 0.58 0.02 0.00 0.00 177.57 177.94 2xak h VAL 107 N 0.29 0.81 -0.72 2.57 2.07 -1.19 0.72 116.25 120.81 2xak h VAL 107 Ca 0.12 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 2xak h VAL 107 Cb 0.04 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2xak h VAL 107 CO -0.09 0.00 0.47 0.50 0.02 0.00 0.00 177.57 178.48 2xak h LYS 108 N -0.06 0.82 0.09 1.57 3.64 -0.78 -0.69 116.57 121.15 2xak h LYS 108 Ca 0.06 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.13 2xak h LYS 108 Cb 0.15 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2xak h LYS 108 CO -0.13 0.54 -1.15 0.52 -2.27 0.00 0.00 179.45 176.96 2xak h MET 109 N 0.84 0.34 -0.50 1.90 2.86 -0.51 -0.69 114.93 119.17 2xak h MET 109 Ca 0.29 -0.49 -0.05 0.00 -2.06 0.00 0.00 59.70 57.39 2xak h MET 109 Cb 0.11 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2xak h MET 109 CO -0.09 1.20 0.13 0.28 1.06 0.00 0.00 176.91 179.49 2xak h VAL 110 N 0.14 1.24 -0.23 -2.22 2.07 -0.73 0.47 116.25 116.99 2xak h VAL 110 Ca -0.12 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2xak h VAL 110 Cb 1.84 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2xak h VAL 110 CO 0.19 0.30 0.15 -0.08 0.02 0.00 0.00 177.57 178.16 2xak h GLU 111 N 0.69 0.31 0.00 1.57 4.81 -1.09 -1.29 114.58 119.57 2xak h GLU 111 Ca 0.16 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2xak h GLU 111 Cb 0.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2xak h GLU 111 CO -0.00 0.21 0.00 -1.33 -0.73 0.00 0.00 179.01 177.16 2xak n MET 112 N -4.92 0.57 -1.10 1.92 2.81 -0.27 -4.88 117.12 111.24 2xak n MET 112 Ca -0.03 0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.85 2xak n MET 112 Cb 0.03 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.02 2xak n MET 112 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2xak n GLY 113 N 0.33 0.65 0.10 3.03 0.00 -0.49 -4.92 105.19 103.89 2xak n GLY 113 Ca 0.14 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 2xak n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xak n LYS 114 N -2.80 0.68 -4.01 1.61 4.76 0.16 -4.80 118.16 113.76 2xak n LYS 114 Ca -0.04 0.05 -0.29 0.00 -2.87 0.00 0.00 58.31 55.16 2xak n LYS 114 Cb 0.13 -1.56 -0.05 0.00 -1.84 0.00 0.00 35.03 31.70 2xak n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2xak s TYR 115 N -2.51 3.30 0.10 2.13 2.02 -0.82 -4.23 117.35 117.34 2xak s TYR 115 Ca -0.11 0.11 -0.31 0.00 -0.37 0.00 0.00 57.07 56.39 2xak s TYR 115 Cb 0.07 -1.64 -0.07 0.00 -0.40 0.00 0.00 41.96 39.92 2xak s TYR 115 CO 0.81 0.54 1.26 0.34 -1.57 0.00 0.00 175.55 176.93 2xak s ASP 116 N -2.65 6.99 0.56 2.29 -1.08 -0.11 -4.32 116.67 118.36 2xak s ASP 116 Ca 0.32 2.15 0.23 0.00 -0.52 0.00 0.00 52.55 54.73 2xak s ASP 116 Cb -0.12 -2.59 1.54 0.00 -1.46 0.00 0.00 42.92 40.30 2xak s ASP 116 CO 0.24 -0.52 2.18 -1.13 0.52 0.00 0.00 175.17 176.47 2xak h ASN 117 N 6.59 0.00 -0.63 -0.34 -0.73 -1.91 -2.44 115.58 116.13 2xak h ASN 117 Ca -0.42 0.00 0.18 0.00 1.87 0.00 0.00 56.30 57.93 2xak h ASN 117 Cb 1.21 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.78 2xak h ASN 117 CO 0.82 0.00 0.55 1.12 -0.37 0.00 0.00 177.43 179.55 2xak h HIS 118 N 0.00 0.00 -0.91 0.67 2.07 -1.97 0.26 115.15 115.27 2xak h HIS 118 Ca 0.02 0.00 0.08 0.00 -2.85 0.00 0.00 60.37 57.62 2xak h HIS 118 Cb 0.10 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 30.01 2xak h HIS 118 CO 0.00 0.00 0.59 -0.07 -3.07 0.00 0.00 177.93 175.38 2xak h LEU 119 N 0.00 0.87 -0.00 6.12 3.38 -1.82 -0.68 115.31 123.17 2xak h LEU 119 Ca 0.30 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 58.05 2xak h LEU 119 Cb 1.39 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 41.99 2xak h LEU 119 CO -0.00 0.54 -0.89 -0.07 0.09 0.00 0.00 178.44 178.10 2xak h LEU 120 N 0.98 0.79 -1.21 1.67 3.38 -0.70 -2.73 115.31 117.49 2xak h LEU 120 Ca 0.40 -0.74 0.01 0.00 0.09 0.00 0.00 57.88 57.65 2xak h LEU 120 Cb 0.29 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 2xak h LEU 120 CO -0.16 1.43 0.54 -0.33 0.09 0.00 0.00 178.44 180.01 2xak h GLU 121 N 0.23 1.05 0.00 1.13 5.08 -1.28 -3.18 114.58 117.62 2xak h GLU 121 Ca -0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2xak h GLU 121 Cb 1.56 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2xak h GLU 121 CO 0.18 0.70 -0.93 -0.25 -1.00 0.00 0.00 179.01 177.71 2xak n ASP 122 N -4.42 0.78 -4.17 1.42 8.00 -0.29 -4.88 116.55 112.99 2xak n ASP 122 Ca 0.09 0.22 -0.22 0.00 0.71 0.00 0.00 54.79 55.60 2xak n ASP 122 Cb 0.05 0.43 -0.14 0.00 -0.02 0.00 0.00 41.12 41.44 2xak n ASP 122 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2xak s TYR 123 N -3.30 1.39 0.32 1.24 1.51 -1.03 -5.07 117.35 112.41 2xak s TYR 123 Ca 0.01 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 2xak s TYR 123 Cb 0.11 -0.83 -0.05 0.00 -0.11 0.00 0.00 41.96 41.08 2xak s TYR 123 CO 0.78 0.04 0.60 0.95 -1.11 0.00 0.00 175.55 176.80 2xak s THR 124 N -0.77 5.00 0.40 -0.71 -4.23 -1.26 -4.67 115.64 109.40 2xak s THR 124 Ca 0.04 0.07 0.22 0.00 -1.18 0.00 0.00 61.69 60.84 2xak s THR 124 Cb -0.08 -3.76 0.41 0.00 1.34 0.00 0.00 72.50 70.41 2xak s THR 124 CO 0.01 -0.41 1.69 -0.08 -0.54 0.00 0.00 174.62 175.29 2xak h GLU 125 N 1.41 0.26 -0.20 3.99 4.81 -1.99 0.29 114.58 123.15 2xak h GLU 125 Ca -0.48 -0.02 -0.19 0.00 -0.13 0.00 0.00 59.36 58.55 2xak h GLU 125 Cb 1.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2xak h GLU 125 CO 0.65 0.17 -0.64 0.93 -0.73 0.00 0.00 179.01 179.39 2xak h GLU 126 N 0.26 0.73 -0.81 1.92 3.07 -1.98 0.16 114.58 117.93 2xak h GLU 126 Ca 0.71 -0.51 -0.04 0.00 -0.50 0.00 0.00 59.36 59.02 2xak h GLU 126 Cb 1.94 0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 29.89 2xak h GLU 126 CO -0.42 1.13 0.34 0.93 -1.40 0.00 0.00 179.01 179.59 2xak h GLU 127 N 0.53 1.20 -0.64 2.33 5.08 -1.41 0.35 114.58 122.02 2xak h GLU 127 Ca -0.01 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2xak h GLU 127 Cb 1.23 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 2xak h GLU 127 CO 0.13 0.96 0.26 0.74 -1.00 0.00 0.00 179.01 180.10 2xak h PHE 128 N 1.17 0.97 -0.83 4.33 0.04 -0.84 0.21 116.94 121.98 2xak h PHE 128 Ca 0.27 -0.07 0.07 0.00 2.80 0.00 0.00 57.97 61.04 2xak h PHE 128 Cb 0.19 -0.29 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 2xak h PHE 128 CO 0.02 0.76 0.54 0.87 -0.60 0.00 0.00 178.31 179.90 2xak h LYS 129 N 0.90 0.87 0.14 1.51 1.79 -0.05 -1.61 116.57 120.11 2xak h LYS 129 Ca 0.21 -0.05 -0.28 0.00 -2.18 0.00 0.00 60.65 58.35 2xak h LYS 129 Cb 0.19 -0.20 0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2xak h LYS 129 CO -0.02 0.58 -1.28 0.37 -1.08 0.00 0.00 179.45 178.02 2xak h GLN 130 N 0.90 0.30 -0.92 3.15 4.15 -0.54 -3.15 115.11 118.99 2xak h GLN 130 Ca 0.36 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 59.26 2xak h GLN 130 Cb 0.24 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.08 2xak h GLN 130 CO -0.13 1.24 0.52 0.52 -1.93 0.00 0.00 178.83 179.05 2xak h MET 131 N 0.08 1.27 -0.10 1.69 2.86 -0.70 -2.31 114.93 117.72 2xak h MET 131 Ca -0.15 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2xak h MET 131 Cb 1.99 -0.26 -0.00 0.00 0.06 0.00 0.00 31.60 33.39 2xak h MET 131 CO 0.21 0.91 0.14 0.22 1.06 0.00 0.00 176.91 179.45 2xak h ASP 132 N 1.28 0.00 1.15 1.22 3.58 -1.26 0.18 116.42 122.56 2xak h ASP 132 Ca 0.33 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.78 2xak h ASP 132 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2xak h ASP 132 CO -0.06 0.00 -0.35 0.35 -2.88 0.00 0.00 179.24 176.31 2xak n THR 133 N -3.64 0.47 0.03 2.25 -2.24 -0.87 -3.50 114.28 106.77 2xak n THR 133 Ca -0.00 -0.28 -0.13 0.00 -2.27 0.00 0.00 64.05 61.37 2xak n THR 133 Cb 0.24 -0.33 -0.01 0.00 -2.10 0.00 0.00 70.33 68.13 2xak n THR 133 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2xak h PHE 134 N 0.00 0.74 -3.19 4.78 0.04 -0.64 -3.46 116.94 115.21 2xak h PHE 134 Ca 0.00 -0.33 -0.55 0.00 2.80 0.00 0.00 57.97 59.89 2xak h PHE 134 Cb 0.75 -0.11 0.09 0.00 2.20 0.00 0.00 35.95 38.87 2xak h PHE 134 CO 0.00 1.12 0.79 -0.89 -0.60 0.00 0.00 178.31 178.72 2xak n ILE 135 N -3.87 1.14 -3.98 -0.55 5.41 -1.15 -5.01 119.36 111.36 2xak n ILE 135 Ca -0.06 -0.29 -0.31 0.00 1.00 0.00 0.00 62.75 63.10 2xak n ILE 135 Cb 0.73 -1.83 -0.15 0.00 -0.71 0.00 0.00 39.64 37.68 2xak n ILE 135 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2xak s ASP 136 N 0.35 4.67 0.57 4.38 -1.08 -1.26 -4.98 116.67 119.32 2xak s ASP 136 Ca 0.64 -2.09 0.32 0.00 -0.52 0.00 0.00 52.55 50.90 2xak s ASP 136 Cb -0.53 -1.52 1.75 0.00 -1.46 0.00 0.00 42.92 41.16 2xak s ASP 136 CO 0.51 -0.39 2.18 0.45 0.52 0.00 0.00 175.17 178.44 2xak h HIS 137 N 7.68 0.00 0.00 -5.34 3.86 -1.98 -1.40 115.15 117.98 2xak h HIS 137 Ca -0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 2xak h HIS 137 Cb 1.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.49 2xak h HIS 137 CO 0.45 0.05 -0.02 -0.44 0.86 0.00 0.00 177.93 178.83 2xak h ASP 138 N 0.00 0.00 0.22 2.45 5.19 -2.03 -2.50 116.42 119.76 2xak h ASP 138 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2xak h ASP 138 Cb 0.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.69 2xak h ASP 138 CO 0.01 0.02 0.00 0.03 -3.12 0.00 0.00 179.24 176.17 2xak h ARG 139 N 0.00 0.00 -0.03 3.56 3.08 -1.64 -0.02 114.38 119.33 2xak h ARG 139 Ca -0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2xak h ARG 139 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 2xak h ARG 139 CO 0.00 0.00 0.03 -0.44 -1.07 0.00 0.00 179.97 178.50 2xak h ASP 140 N 0.00 0.00 0.00 7.04 3.32 -1.66 -2.39 116.42 122.72 2xak h ASP 140 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2xak h ASP 140 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2xak h ASP 140 CO 0.00 0.00 0.00 0.23 -1.72 0.00 0.00 179.24 177.75 2xak n MET 141 N -3.87 0.60 0.00 3.56 2.81 -0.02 -3.19 117.12 117.01 2xak n MET 141 Ca -0.02 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.91 2xak n MET 141 Cb 0.12 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 2xak n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2xak n THR 142 N -0.85 0.00 -2.19 2.03 -2.24 -0.90 -4.90 114.28 105.23 2xak n THR 142 Ca 0.10 -0.38 -0.41 0.00 -2.27 0.00 0.00 64.05 61.09 2xak n THR 142 Cb 0.05 1.08 -0.03 0.00 -2.10 0.00 0.00 70.33 69.33 2xak n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2xak s PHE 143 N -1.43 3.20 0.77 4.78 0.08 -1.19 -5.02 117.98 119.16 2xak s PHE 143 Ca 0.07 1.30 -0.12 0.00 0.12 0.00 0.00 56.93 58.30 2xak s PHE 143 Cb 0.07 -3.62 0.05 0.00 -0.57 0.00 0.00 43.02 38.96 2xak s PHE 143 CO 0.27 -1.83 1.12 -1.54 -0.10 0.00 0.00 175.22 173.14 2xak s SER 144 N -0.01 4.85 0.18 1.36 1.04 -1.26 -4.67 113.70 115.19 2xak s SER 144 Ca 0.54 1.07 -0.11 0.00 0.48 0.00 0.00 55.95 57.92 2xak s SER 144 Cb -0.38 -1.76 0.10 0.00 0.10 0.00 0.00 66.02 64.08 2xak s SER 144 CO 0.43 -1.72 1.77 0.22 0.98 0.00 0.00 173.24 174.93 2xak h TYR 145 N -0.92 0.92 -0.53 5.02 3.20 -1.32 -1.08 116.97 122.26 2xak h TYR 145 Ca -0.46 -0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.36 2xak h TYR 145 Cb 1.28 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2xak h TYR 145 CO 0.43 0.69 0.32 0.00 -1.64 0.00 0.00 178.16 177.96 2xak h ALA 146 N 1.14 1.57 0.50 1.82 0.00 -1.85 -1.72 119.26 120.71 2xak h ALA 146 Ca 0.22 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2xak h ALA 146 Cb 0.11 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2xak h ALA 146 CO -0.03 0.38 -0.29 0.00 0.00 0.00 0.00 179.25 179.31 2xak h ALA 147 N 1.63 -0.75 -0.64 0.00 0.00 -1.40 -1.94 119.26 116.16 2xak h ALA 147 Ca 0.19 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2xak h ALA 147 Cb -0.03 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2xak h ALA 147 CO -0.04 -0.93 0.31 0.28 0.00 0.00 0.00 179.25 178.87 2xak h VAL 148 N -0.75 0.87 -0.45 0.00 2.07 -1.06 -0.28 116.25 116.64 2xak h VAL 148 Ca -0.06 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.30 2xak h VAL 148 Cb 0.60 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2xak h VAL 148 CO 0.07 0.10 0.30 0.50 0.02 0.00 0.00 177.57 178.56 2xak h LYS 149 N 0.55 0.49 -0.18 1.57 1.63 -1.22 0.13 116.57 119.54 2xak h LYS 149 Ca 0.31 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.97 2xak h LYS 149 Cb 0.30 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2xak h LYS 149 CO -0.24 0.32 -0.31 1.96 -3.45 0.00 0.00 179.45 177.73 2xak h GLN 150 N 0.50 0.52 -0.51 1.90 1.08 -0.30 -1.81 115.11 116.49 2xak h GLN 150 Ca 0.18 -0.33 0.04 0.00 -1.45 0.00 0.00 58.65 57.09 2xak h GLN 150 Cb 0.11 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 2xak h GLN 150 CO -0.04 0.93 0.28 -0.07 -0.95 0.00 0.00 178.83 178.97 2xak h LEU 151 N 0.17 0.42 -0.66 1.46 3.38 -0.22 0.54 115.31 120.41 2xak h LEU 151 Ca 0.01 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2xak h LEU 151 Cb 0.90 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 2xak h LEU 151 CO 0.07 0.29 -0.05 -0.08 0.09 0.00 0.00 178.44 178.76 2xak h GLU 152 N 0.54 0.99 0.08 1.13 4.81 -0.85 0.47 114.58 121.76 2xak h GLU 152 Ca 0.22 -0.33 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 2xak h GLU 152 Cb 0.09 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.40 2xak h GLU 152 CO -0.13 1.01 -0.50 0.78 -0.73 0.00 0.00 179.01 179.44 2xak h GLY 153 N 0.97 0.20 0.00 1.92 0.00 -0.97 -3.43 103.07 101.77 2xak h GLY 153 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2xak h GLY 153 CO 0.04 0.44 -1.36 0.28 0.00 0.00 0.00 176.54 175.93 2xak n LYS 154 N -4.33 0.52 -0.08 4.80 4.76 0.19 -4.92 118.16 119.11 2xak n LYS 154 Ca -0.13 -0.06 -0.16 0.00 -2.87 0.00 0.00 58.31 55.09 2xak n LYS 154 Cb 0.68 -1.18 -0.05 0.00 -1.84 0.00 0.00 35.03 32.64 2xak n LYS 154 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2xak n TYR 155 N -1.82 0.00 -2.35 2.13 4.02 -0.46 -4.69 117.16 113.99 2xak n TYR 155 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 2xak n TYR 155 Cb 0.26 -0.55 -0.04 0.00 -0.02 0.00 0.00 39.34 38.99 2xak n TYR 155 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2xak s LEU 156 N -7.04 4.51 0.03 7.72 1.43 0.15 -4.46 118.68 121.02 2xak s LEU 156 Ca -0.23 2.41 -0.30 0.00 -1.03 0.00 0.00 54.13 54.98 2xak s LEU 156 Cb 0.08 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.60 2xak s LEU 156 CO 0.29 -0.28 1.54 -0.69 0.23 0.00 0.00 176.35 177.44 2xak s VAL 157 N -1.10 3.38 0.29 -1.59 1.01 -1.26 -4.95 120.40 116.17 2xak s VAL 157 Ca 0.46 0.77 -0.08 0.00 0.00 0.00 0.00 61.98 63.14 2xak s VAL 157 Cb -0.35 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 2xak s VAL 157 CO 0.45 -0.01 0.46 0.00 0.00 0.00 0.00 175.10 176.00 2xak s GLN 158 N 2.66 1.70 -0.23 2.72 -2.07 -1.26 -1.57 119.66 121.60 2xak s GLN 158 Ca 0.69 -1.51 -0.18 0.00 -1.82 0.00 0.00 55.36 52.55 2xak s GLN 158 Cb -0.36 0.45 -0.03 0.00 -1.09 0.00 0.00 33.01 31.98 2xak s GLN 158 CO 0.29 -0.70 0.51 1.21 -1.32 0.00 0.00 175.29 175.28 2xak s ASN 159 N -3.12 6.50 0.15 12.60 3.84 0.25 -4.95 114.94 130.20 2xak s ASN 159 Ca 0.27 0.60 -0.31 0.00 0.21 0.00 0.00 52.86 53.62 2xak s ASN 159 Cb -0.00 -2.28 -0.09 0.00 -0.55 0.00 0.00 41.25 38.33 2xak s ASN 159 CO 0.14 -0.23 1.54 0.03 -2.79 0.00 0.00 177.10 175.79 2xak h ARG 160 N 7.71 -0.15 0.06 0.43 2.47 -1.98 -1.47 114.38 121.45 2xak h ARG 160 Ca -0.31 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.41 2xak h ARG 160 Cb 1.15 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2xak h ARG 160 CO 0.73 -0.10 -0.03 0.28 0.56 0.00 0.00 179.97 181.41 2xak h VAL 161 N -0.16 0.25 0.00 2.04 2.07 -1.99 -3.36 116.25 115.10 2xak h VAL 161 Ca 0.12 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 2xak h VAL 161 Cb 0.48 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 2xak h VAL 161 CO -0.79 0.08 -0.03 0.71 0.02 0.00 0.00 177.57 177.56 2xak h THR 162 N -1.01 0.08 -0.57 2.57 1.35 -2.00 -3.46 112.91 109.87 2xak h THR 162 Ca -0.01 -0.51 -0.24 0.00 -0.55 0.00 0.00 66.41 65.10 2xak h THR 162 Cb 0.19 1.47 -0.09 0.00 -1.73 0.00 0.00 68.15 67.99 2xak h THR 162 CO 0.01 0.03 -0.22 0.61 -0.25 0.00 0.00 175.52 175.70 2xak n GLY 163 N -0.11 1.28 3.70 5.82 0.00 -0.55 -4.99 105.19 110.33 2xak n GLY 163 Ca 0.00 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2xak n GLY 163 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xak s GLU 164 N -3.01 4.44 -0.04 1.61 2.12 -1.26 -4.79 118.70 117.77 2xak s GLU 164 Ca 0.00 1.17 -0.15 0.00 0.36 0.00 0.00 54.97 56.35 2xak s GLU 164 Cb 0.00 -3.50 -0.05 0.00 0.26 0.00 0.00 34.13 30.84 2xak s GLU 164 CO 0.00 -0.13 0.40 0.42 -0.54 0.00 0.00 175.26 175.41 2xak s ILE 165 N 1.40 5.09 -0.59 -3.70 1.01 -1.26 -0.58 121.20 122.58 2xak s ILE 165 Ca 0.44 0.82 0.09 0.00 0.00 0.00 0.00 60.65 62.00 2xak s ILE 165 Cb -0.19 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.51 2xak s ILE 165 CO 0.20 0.51 0.47 -1.22 0.00 0.00 0.00 174.94 174.89 2xak n TYR 166 N 2.35 0.00 -4.05 3.97 4.01 -0.61 -3.86 117.16 118.97 2xak n TYR 166 Ca -0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.51 2xak n TYR 166 Cb 0.52 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.48 2xak n TYR 166 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 2xak s GLU 167 N -1.59 1.26 0.31 -0.72 -1.05 -1.25 -4.94 118.70 110.72 2xak s GLU 167 Ca 0.05 -1.34 0.09 0.00 -0.15 0.00 0.00 54.97 53.63 2xak s GLU 167 Cb 0.07 0.36 -0.05 0.00 -0.44 0.00 0.00 34.13 34.07 2xak s GLU 167 CO 0.30 -0.46 0.01 -1.54 0.95 0.00 0.00 175.26 174.52 2xak s SER 168 N -3.04 4.30 0.27 0.83 1.04 -1.26 -4.87 113.70 110.97 2xak s SER 168 Ca 0.25 -0.87 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 2xak s SER 168 Cb 0.03 -0.62 0.59 0.00 0.10 0.00 0.00 66.02 66.12 2xak s SER 168 CO 0.06 -0.16 1.70 0.00 0.98 0.00 0.00 173.24 175.82 2xak h ALA 169 N 1.83 1.21 0.00 5.32 0.00 -1.99 -1.62 119.26 124.01 2xak h ALA 169 Ca -0.43 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2xak h ALA 169 Cb 1.25 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2xak h ALA 169 CO 0.64 -0.31 -0.30 1.96 0.00 0.00 0.00 179.25 181.24 2xak h GLN 170 N 0.37 0.00 -0.22 0.00 1.08 -1.94 -0.82 115.11 113.58 2xak h GLN 170 Ca 0.49 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.52 2xak h GLN 170 Cb 0.86 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.29 2xak h GLN 170 CO -0.50 0.30 -0.54 0.74 -0.95 0.00 0.00 178.83 177.87 2xak h PHE 171 N 0.00 0.81 -0.13 2.96 0.04 -1.72 -2.05 116.94 116.84 2xak h PHE 171 Ca -0.00 -0.28 0.00 0.00 2.80 0.00 0.00 57.97 60.48 2xak h PHE 171 Cb 0.77 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.76 2xak h PHE 171 CO 0.00 1.04 0.09 1.25 -0.60 0.00 0.00 178.31 180.09 2xak h LEU 172 N 0.50 0.15 0.30 1.54 6.46 -1.03 -1.66 115.31 121.57 2xak h LEU 172 Ca 0.01 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2xak h LEU 172 Cb 1.10 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2xak h LEU 172 CO 0.11 0.11 -0.14 1.88 -0.62 0.00 0.00 178.44 179.77 2xak h TYR 173 N 0.18 -0.37 -0.34 1.25 0.05 -1.17 -0.85 116.97 115.71 2xak h TYR 173 Ca 0.05 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 2xak h TYR 173 Cb -0.02 0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 2xak h TYR 173 CO -0.07 -0.10 0.14 0.97 -1.05 0.00 0.00 178.16 178.06 2xak h ILE 174 N -0.61 1.13 0.00 -2.88 6.09 -1.40 -2.12 117.51 117.71 2xak h ILE 174 Ca -0.04 -0.39 -0.20 0.00 -1.37 0.00 0.00 64.86 62.86 2xak h ILE 174 Cb 0.44 0.72 -0.03 0.00 0.47 0.00 0.00 36.82 38.42 2xak h ILE 174 CO 0.07 0.15 -1.03 -0.07 -3.07 0.00 0.00 178.15 174.20 2xak h LEU 175 N 0.47 0.00 -0.75 2.19 3.38 -1.16 0.23 115.31 119.68 2xak h LEU 175 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2xak h LEU 175 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2xak h LEU 175 CO -0.01 0.92 0.38 0.58 0.09 0.00 0.00 178.44 180.39 2xak h VAL 176 N 0.00 1.24 0.15 1.22 2.07 -0.93 -0.72 116.25 119.28 2xak h VAL 176 Ca -0.05 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 2xak h VAL 176 Cb 1.74 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2xak h VAL 176 CO 0.11 0.27 -0.07 0.00 0.02 0.00 0.00 177.57 177.90 2xak h ALA 177 N 1.19 -0.20 -0.60 1.67 0.00 -1.22 -1.95 119.26 118.15 2xak h ALA 177 Ca 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2xak h ALA 177 Cb 0.09 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2xak h ALA 177 CO -0.04 -0.53 0.35 0.00 0.00 0.00 0.00 179.25 179.04 2xak h ALA 178 N 0.44 1.49 -0.11 0.00 0.00 -0.79 -1.84 119.26 118.45 2xak h ALA 178 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2xak h ALA 178 Cb 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2xak h ALA 178 CO 0.03 0.44 -0.12 0.00 0.00 0.00 0.00 179.25 179.60 2xak h LEU 180 N -0.14 0.64 -3.60 0.00 3.38 -1.02 -2.91 115.31 111.66 2xak h LEU 180 Ca 0.02 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 2xak h LEU 180 Cb 0.65 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2xak h LEU 180 CO 0.03 0.86 0.14 0.49 0.09 0.00 0.00 178.44 180.05 2xak n PHE 181 N -4.12 2.26 -0.03 1.13 3.01 -0.72 -4.61 117.46 114.39 2xak n PHE 181 Ca -0.00 -0.95 -0.06 0.00 1.01 0.00 0.00 57.45 57.45 2xak n PHE 181 Cb 0.42 -0.60 0.14 0.00 -0.01 0.00 0.00 39.48 39.43 2xak n PHE 181 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2xak h SER 182 N 3.25 0.62 -0.01 4.37 4.64 -1.26 -2.56 113.55 122.59 2xak h SER 182 Ca 0.14 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2xak h SER 182 Cb 2.15 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.07 2xak h SER 182 CO 0.62 0.87 0.00 0.59 -0.87 0.00 0.00 176.83 178.04 2xak n ASN 183 N -4.10 0.12 -4.78 4.97 5.03 -1.26 -4.89 115.26 110.35 2xak n ASN 183 Ca -0.00 -1.25 -0.37 0.00 0.87 0.00 0.00 54.58 53.82 2xak n ASN 183 Cb 0.44 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.17 2xak n ASN 183 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2xak s TYR 184 N -1.99 3.03 0.70 3.10 1.51 -0.97 -4.99 117.35 117.75 2xak s TYR 184 Ca 0.37 1.58 -0.17 0.00 -1.01 0.00 0.00 57.07 57.84 2xak s TYR 184 Cb 0.17 -3.28 0.01 0.00 -0.11 0.00 0.00 41.96 38.76 2xak s TYR 184 CO 0.29 -1.15 1.21 -0.35 -1.11 0.00 0.00 175.55 174.44 2xak n PRO 185 N -0.32 0.78 0.28 -1.71 -0.04 -1.26 -4.58 135.00 128.16 2xak n PRO 185 Ca 0.06 0.33 0.19 0.00 -0.04 0.00 0.00 63.50 64.04 2xak n PRO 185 Cb 0.49 -2.45 1.00 0.00 -0.04 0.00 0.00 33.50 32.50 2xak n PRO 185 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2xak h ARG 186 N 0.05 0.00 -0.15 0.54 3.08 -1.96 -0.78 114.38 115.16 2xak h ARG 186 Ca -0.49 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 2xak h ARG 186 Cb 1.33 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 2xak h ARG 186 CO 0.50 0.00 -0.17 1.05 -1.07 0.00 0.00 179.97 180.28 2xak h GLU 187 N 0.00 0.25 0.00 0.04 9.09 -2.04 -3.37 114.58 118.56 2xak h GLU 187 Ca 0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.34 2xak h GLU 187 Cb 0.04 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.11 2xak h GLU 187 CO 0.00 0.42 -0.34 0.25 0.05 0.00 0.00 179.01 179.40 2xak n THR 188 N -4.23 0.00 0.02 -1.06 -2.24 -0.79 -4.90 114.28 101.07 2xak n THR 188 Ca -0.01 -0.23 -0.02 0.00 -2.27 0.00 0.00 64.05 61.52 2xak n THR 188 Cb 0.30 0.74 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 2xak n THR 188 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2xak h ARG 189 N 0.00 -0.10 -0.29 -0.78 2.43 -1.33 -1.17 114.38 113.14 2xak h ARG 189 Ca 0.00 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 2xak h ARG 189 Cb 0.00 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2xak h ARG 189 CO 0.00 -0.07 0.26 -0.07 -1.51 0.00 0.00 179.97 178.59 2xak h LEU 190 N -0.10 0.00 -0.15 3.80 3.38 -1.86 0.32 115.31 120.70 2xak h LEU 190 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 2xak h LEU 190 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2xak h LEU 190 CO -0.03 0.00 -0.40 -0.61 0.09 0.00 0.00 178.44 177.50 2xak h GLN 191 N 0.00 0.53 0.25 1.13 4.15 -1.81 -1.19 115.11 118.17 2xak h GLN 191 Ca 0.14 -0.37 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 2xak h GLN 191 Cb 0.66 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.40 2xak h GLN 191 CO -0.00 0.99 -0.18 1.88 -1.93 0.00 0.00 178.83 179.59 2xak h TYR 192 N 0.16 -0.47 -0.78 3.99 0.05 0.09 -1.91 116.97 118.09 2xak h TYR 192 Ca -0.01 -0.00 0.18 0.00 0.05 0.00 0.00 58.73 58.95 2xak h TYR 192 Cb 1.01 0.17 -0.13 0.00 1.01 0.00 0.00 36.73 38.80 2xak h TYR 192 CO 0.10 -0.28 0.13 0.28 -1.05 0.00 0.00 178.16 177.35 2xak h VAL 193 N -0.43 0.40 0.16 -2.88 2.07 -0.98 0.19 116.25 114.77 2xak h VAL 193 Ca -0.02 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 2xak h VAL 193 Cb 0.38 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2xak h VAL 193 CO 0.00 0.04 -0.08 0.50 0.02 0.00 0.00 177.57 178.05 2xak h LYS 194 N 0.20 -0.21 -0.32 1.57 3.64 -1.08 -1.03 116.57 119.35 2xak h LYS 194 Ca 0.45 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.79 2xak h LYS 194 Cb 0.82 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2xak h LYS 194 CO -0.60 0.02 -0.02 0.00 -2.27 0.00 0.00 179.45 176.57 2xak h ARG 195 N -0.42 0.49 -0.18 1.90 3.08 -0.55 0.04 114.38 118.74 2xak h ARG 195 Ca -0.02 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.77 2xak h ARG 195 Cb 0.33 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2xak h ARG 195 CO 0.04 0.54 -0.46 0.35 -1.07 0.00 0.00 179.97 179.37 2xak h PHE 196 N 0.47 0.81 -0.17 3.04 3.57 -0.62 -1.98 116.94 122.05 2xak h PHE 196 Ca 0.10 -0.31 0.05 0.00 3.53 0.00 0.00 57.97 61.34 2xak h PHE 196 Cb 0.35 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 2xak h PHE 196 CO 0.01 1.08 -0.18 -0.92 -2.23 0.00 0.00 178.31 176.08 2xak h TYR 197 N 0.30 -0.45 -0.79 0.41 3.20 -0.69 -1.35 116.97 117.59 2xak h TYR 197 Ca -0.01 0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.98 2xak h TYR 197 Cb 1.07 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 2xak h TYR 197 CO 0.09 -0.25 0.45 -0.44 -1.64 0.00 0.00 178.16 176.37 2xak h ASP 198 N -0.20 0.64 -0.50 -2.11 3.32 -0.97 -1.37 116.42 115.22 2xak h ASP 198 Ca 0.11 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2xak h ASP 198 Cb 0.37 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2xak h ASP 198 CO -0.29 0.37 0.02 0.00 -1.72 0.00 0.00 179.24 177.63 2xak h ALA 199 N 1.44 0.67 0.12 3.45 0.00 -0.64 -2.42 119.26 121.87 2xak h ALA 199 Ca 0.38 -0.27 -0.29 0.00 0.00 0.00 0.00 54.91 54.73 2xak h ALA 199 Cb 0.33 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.96 2xak h ALA 199 CO -0.24 0.46 -1.21 -0.39 0.00 0.00 0.00 179.25 177.88 2xak h VAL 200 N 0.74 1.30 0.00 0.00 -1.51 -1.06 -0.04 116.25 115.67 2xak h VAL 200 Ca 0.14 -2.45 0.00 0.00 -1.23 0.00 0.00 66.70 63.17 2xak h VAL 200 Cb 0.49 2.72 0.00 0.00 -2.13 0.00 0.00 31.29 32.36 2xak h VAL 200 CO 0.02 0.74 0.00 0.77 -1.23 0.00 0.00 177.57 177.87 2xak h SER 201 N 0.23 0.00 -0.37 4.19 4.64 -1.27 -1.52 113.55 119.45 2xak h SER 201 Ca -0.18 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.06 2xak h SER 201 Cb 1.89 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.94 2xak h SER 201 CO 0.23 0.00 0.03 0.35 -0.87 0.00 0.00 176.83 176.58 2xak n THR 202 N -2.49 2.48 -2.22 2.95 -2.24 -0.92 -4.98 114.28 106.86 2xak n THR 202 Ca 0.03 -1.98 -0.17 0.00 -2.27 0.00 0.00 64.05 59.66 2xak n THR 202 Cb 0.31 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.23 2xak n THR 202 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2xak n PHE 203 N -0.51 -0.71 0.02 4.78 3.72 -0.57 -4.90 117.46 119.29 2xak n PHE 203 Ca 0.27 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.46 2xak n PHE 203 Cb 1.02 -3.36 -0.14 0.00 -0.94 0.00 0.00 39.48 36.06 2xak n PHE 203 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2xak h LYS 204 N 0.00 0.29 -5.79 -1.08 1.57 -1.21 -3.41 116.57 106.93 2xak h LYS 204 Ca -0.40 -0.49 -0.68 0.00 -1.87 0.00 0.00 60.65 57.22 2xak h LYS 204 Cb 1.27 0.18 -0.27 0.00 0.08 0.00 0.00 32.23 33.49 2xak h LYS 204 CO 0.48 1.23 -0.81 0.42 -0.57 0.00 0.00 179.45 180.21 2xak s ILE 205 N -2.56 2.72 -0.05 1.86 1.01 -1.07 -1.96 121.20 121.15 2xak s ILE 205 Ca -0.21 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.66 2xak s ILE 205 Cb 0.06 -2.08 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2xak s ILE 205 CO 0.78 0.56 -0.14 -0.55 0.00 0.00 0.00 174.94 175.59 2xak s SER 206 N -0.09 4.03 0.11 3.58 0.15 -0.38 -4.43 113.70 116.67 2xak s SER 206 Ca -0.03 -0.20 0.09 0.00 0.70 0.00 0.00 55.95 56.51 2xak s SER 206 Cb -0.14 -0.87 -0.04 0.00 -1.71 0.00 0.00 66.02 63.26 2xak s SER 206 CO 0.04 0.34 -0.23 -0.76 1.20 0.00 0.00 173.24 173.83 2xak s LEU 207 N -0.70 2.30 0.77 3.45 1.02 -1.26 -2.04 118.68 122.23 2xak s LEU 207 Ca 0.11 -0.71 -0.13 0.00 0.02 0.00 0.00 54.13 53.42 2xak s LEU 207 Cb -0.11 -1.02 0.06 0.00 0.02 0.00 0.00 46.19 45.15 2xak s LEU 207 CO 0.01 0.11 1.18 -2.16 0.02 0.00 0.00 176.35 175.50 2xak s PRO 208 N -1.95 1.95 0.17 1.29 0.04 -1.26 -4.69 135.00 130.55 2xak s PRO 208 Ca 0.09 1.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.60 2xak s PRO 208 Cb -0.10 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2xak s PRO 208 CO 0.05 -1.95 1.67 1.15 0.04 0.00 0.00 177.00 177.95 2xak h THR 209 N -0.70 0.60 -0.86 1.26 2.02 -1.98 -1.82 112.91 111.43 2xak h THR 209 Ca -0.46 -0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.78 2xak h THR 209 Cb 1.28 0.60 -0.05 0.00 -1.74 0.00 0.00 68.15 68.23 2xak h THR 209 CO 0.48 0.00 0.56 -0.65 0.37 0.00 0.00 175.52 176.28 2xak h PRO 210 N 0.00 0.96 0.57 6.66 0.11 -1.92 -0.93 132.00 137.46 2xak h PRO 210 Ca 0.19 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.22 2xak h PRO 210 Cb 0.30 -0.22 0.01 0.00 0.11 0.00 0.00 31.00 31.19 2xak h PRO 210 CO -0.42 0.64 -0.27 0.82 -0.21 0.00 0.00 178.00 178.55 2xak h ILE 211 N 0.99 0.21 -0.26 4.15 2.04 -1.62 -0.37 117.51 122.65 2xak h ILE 211 Ca 0.36 -0.40 0.08 0.00 1.00 0.00 0.00 64.86 65.89 2xak h ILE 211 Cb 0.16 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2xak h ILE 211 CO -0.13 0.03 0.34 0.24 0.00 0.00 0.00 178.15 178.64 2xak h MET 212 N -1.10 0.00 0.00 2.37 2.86 -1.19 -0.89 114.93 116.99 2xak h MET 212 Ca -0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.55 2xak h MET 212 Cb 0.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.30 2xak h MET 212 CO 0.13 0.00 -1.90 -1.13 1.06 0.00 0.00 176.91 175.07 2xak n SER 213 N -3.58 0.57 -0.04 1.22 3.41 -0.37 -4.73 113.62 110.10 2xak n SER 213 Ca 0.04 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.60 2xak n SER 213 Cb 0.48 1.85 -0.06 0.00 -0.26 0.00 0.00 64.21 66.21 2xak n SER 213 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2xak n GLY 214 N 1.42 -0.35 3.58 5.00 0.00 -0.16 -4.85 105.19 109.83 2xak n GLY 214 Ca -0.05 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2xak n GLY 214 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2xak s VAL 215 N -2.21 3.52 0.00 1.61 1.01 -0.40 -0.90 120.40 123.03 2xak s VAL 215 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2xak s VAL 215 Cb 0.03 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2xak s VAL 215 CO 0.32 -0.64 0.00 -2.11 0.00 0.00 0.00 175.10 172.67 2xak n ARG 216 N 8.61 0.00 -2.94 2.72 1.85 -1.26 -4.20 116.66 121.44 2xak n ARG 216 Ca 0.21 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.85 2xak n ARG 216 Cb 0.49 0.00 0.02 0.00 -1.05 0.00 0.00 32.46 31.91 2xak n ARG 216 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 2xak s THR 217 N -0.82 3.41 -2.00 8.89 -4.23 -0.08 -0.93 115.64 119.88 2xak s THR 217 Ca 0.00 -0.70 0.05 0.00 -1.18 0.00 0.00 61.69 59.86 2xak s THR 217 Cb 0.00 -3.24 0.14 0.00 1.34 0.00 0.00 72.50 70.74 2xak s THR 217 CO 0.00 -0.15 0.74 -2.65 -0.54 0.00 0.00 174.62 172.02 2xak n PRO 218 N -2.08 0.16 -2.58 3.99 -0.02 -1.26 -4.32 135.00 128.90 2xak n PRO 218 Ca 0.04 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 2xak n PRO 218 Cb 0.59 -1.46 0.02 0.00 -0.02 0.00 0.00 33.50 32.62 2xak n PRO 218 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2xak s THR 219 N -2.00 3.95 -0.04 3.45 -1.32 -1.26 -5.01 115.64 113.41 2xak s THR 219 Ca 0.07 -0.09 0.05 0.00 -1.21 0.00 0.00 61.69 60.52 2xak s THR 219 Cb 0.03 -3.53 0.08 0.00 -1.51 0.00 0.00 72.50 67.58 2xak s THR 219 CO 0.06 -0.50 0.94 0.54 -2.21 0.00 0.00 174.62 173.45 2xak n ARG 220 N -2.40 0.85 -3.22 7.08 5.12 -1.26 -4.90 116.66 117.93 2xak n ARG 220 Ca 0.03 -1.43 -0.42 0.00 -1.93 0.00 0.00 57.85 54.09 2xak n ARG 220 Cb 0.57 -0.87 -0.08 0.00 -1.16 0.00 0.00 32.46 30.93 2xak n ARG 220 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 2xak s GLN 221 N -0.99 3.37 0.00 5.56 -0.21 -1.26 -1.31 119.66 124.82 2xak s GLN 221 Ca 0.09 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.08 2xak s GLN 221 Cb 0.08 -3.90 0.00 0.00 1.00 0.00 0.00 33.01 30.19 2xak s GLN 221 CO 0.01 -0.82 0.00 1.19 -2.12 0.00 0.00 175.29 173.55 2xak n PHE 222 N 5.88 0.00 -2.05 0.91 3.72 -1.26 -4.93 117.46 119.72 2xak n PHE 222 Ca -0.04 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.93 2xak n PHE 222 Cb 0.48 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.00 2xak n PHE 222 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2xak s SER 223 N -0.21 6.70 0.00 4.37 0.01 -1.26 -4.63 113.70 118.68 2xak s SER 223 Ca 0.00 2.18 0.15 0.00 1.31 0.00 0.00 55.95 59.59 2xak s SER 223 Cb 0.00 -2.54 0.10 0.00 0.21 0.00 0.00 66.02 63.80 2xak s SER 223 CO 0.00 -0.90 0.95 -1.54 0.41 0.00 0.00 173.24 172.16 2xak n SER 224 N 7.01 2.16 -3.64 2.44 3.41 -1.26 -4.51 113.62 119.23 2xak n SER 224 Ca 0.17 -1.58 -0.05 0.00 -0.26 0.00 0.00 58.87 57.14 2xak n SER 224 Cb 0.43 0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 2xak n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xak s VAL 226 N 1.52 2.34 -0.23 0.00 -7.23 -0.39 -3.12 120.40 113.29 2xak s VAL 226 Ca -0.10 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.03 2xak s VAL 226 Cb -0.04 -2.13 0.05 0.00 0.56 0.00 0.00 36.38 34.82 2xak s VAL 226 CO -0.18 -0.16 -0.10 -0.76 -0.31 0.00 0.00 175.10 173.59 2xak s LEU 227 N -2.76 2.85 -0.13 1.32 1.02 0.20 -0.64 118.68 120.54 2xak s LEU 227 Ca 0.21 -1.17 0.01 0.00 0.02 0.00 0.00 54.13 53.21 2xak s LEU 227 Cb -0.07 -1.38 -0.01 0.00 0.02 0.00 0.00 46.19 44.75 2xak s LEU 227 CO 0.10 -0.18 -0.16 -0.63 0.02 0.00 0.00 176.35 175.51 2xak s ILE 228 N 1.26 2.76 -0.21 -0.59 1.01 -0.05 -1.67 121.20 123.70 2xak s ILE 228 Ca -0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 2xak s ILE 228 Cb -0.18 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 2xak s ILE 228 CO -0.07 0.53 0.06 -0.70 0.00 0.00 0.00 174.94 174.76 2xak s GLU 229 N 0.47 3.78 -0.12 2.79 2.12 -1.26 -1.84 118.70 124.64 2xak s GLU 229 Ca -0.11 -0.43 -0.18 0.00 0.36 0.00 0.00 54.97 54.61 2xak s GLU 229 Cb -0.16 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 30.95 2xak s GLU 229 CO 0.05 0.04 0.45 0.00 -0.54 0.00 0.00 175.26 175.26 2xak s GLY 231 N 0.61 1.74 -1.52 0.00 0.00 -1.26 -4.49 107.32 102.39 2xak s GLY 231 Ca 0.25 -1.12 -0.09 0.00 0.00 0.00 0.00 44.72 43.76 2xak s GLY 231 CO 0.09 -0.80 2.73 1.34 0.00 0.00 0.00 173.10 176.47 2xak n ASP 232 N -2.54 8.19 -3.65 1.64 2.03 -1.26 -4.45 116.55 116.51 2xak n ASP 232 Ca 0.07 -2.76 -0.12 0.00 0.52 0.00 0.00 54.79 52.50 2xak n ASP 232 Cb 0.60 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 2xak n ASP 232 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2xak s SER 233 N 1.69 -0.28 0.38 1.67 1.04 -1.26 -4.95 113.70 112.00 2xak s SER 233 Ca 0.63 -0.09 0.07 0.00 0.48 0.00 0.00 55.95 57.04 2xak s SER 233 Cb 0.18 0.45 0.76 0.00 0.10 0.00 0.00 66.02 67.50 2xak s SER 233 CO -0.07 -0.73 1.96 -0.07 0.98 0.00 0.00 173.24 175.30 2xak h LEU 234 N 2.77 0.39 -0.59 2.42 3.38 -1.99 -1.03 115.31 120.66 2xak h LEU 234 Ca -0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2xak h LEU 234 Cb 1.22 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2xak h LEU 234 CO 0.44 0.42 0.33 0.44 0.09 0.00 0.00 178.44 180.16 2xak h ASP 235 N 0.42 0.73 0.39 -0.43 3.32 -1.95 -0.90 116.42 118.00 2xak h ASP 235 Ca 0.10 -0.09 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 2xak h ASP 235 Cb 0.20 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 2xak h ASP 235 CO -0.00 0.60 -0.71 -1.28 -1.72 0.00 0.00 179.24 176.13 2xak h SER 236 N 0.80 0.33 -0.33 6.45 0.87 -1.70 -1.08 113.55 118.89 2xak h SER 236 Ca 0.21 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2xak h SER 236 Cb 0.03 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 2xak h SER 236 CO -0.03 0.94 -0.05 0.40 -0.53 0.00 0.00 176.83 177.55 2xak h ILE 237 N 0.19 1.27 -0.39 2.23 2.04 -1.07 0.10 117.51 121.88 2xak h ILE 237 Ca -0.02 -1.07 -0.02 0.00 1.00 0.00 0.00 64.86 64.74 2xak h ILE 237 Cb 1.27 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 2xak h ILE 237 CO 0.11 0.35 0.14 0.78 0.00 0.00 0.00 178.15 179.53 2xak h ASN 238 N 0.41 0.50 0.07 1.72 2.35 -1.09 0.26 115.58 119.80 2xak h ASN 238 Ca 0.09 -0.05 -0.15 0.00 -0.55 0.00 0.00 56.30 55.64 2xak h ASN 238 Cb 0.53 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 38.79 2xak h ASN 238 CO 0.03 0.47 -0.61 0.00 -1.65 0.00 0.00 177.43 175.66 2xak h ALA 239 N 1.61 -0.02 -0.40 -0.83 0.00 -0.96 -1.84 119.26 116.82 2xak h ALA 239 Ca 0.13 -0.62 0.08 0.00 0.00 0.00 0.00 54.91 54.51 2xak h ALA 239 Cb 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2xak h ALA 239 CO -0.01 0.30 -0.17 1.15 0.00 0.00 0.00 179.25 180.52 2xak h THR 240 N -0.37 0.47 0.17 0.00 2.02 -0.72 0.21 112.91 114.69 2xak h THR 240 Ca -0.10 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2xak h THR 240 Cb 1.42 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2xak h THR 240 CO 0.12 0.00 -0.08 -1.28 0.37 0.00 0.00 175.52 174.64 2xak h SER 241 N -0.09 -0.19 -0.83 4.18 0.87 -0.98 -0.78 113.55 115.73 2xak h SER 241 Ca 0.20 -0.06 0.14 0.00 -1.23 0.00 0.00 61.79 60.83 2xak h SER 241 Cb 0.39 0.05 -0.09 0.00 -0.44 0.00 0.00 62.40 62.31 2xak h SER 241 CO -0.46 -0.06 0.42 0.28 -0.53 0.00 0.00 176.83 176.48 2xak h SER 242 N -0.31 0.52 -0.46 6.23 0.02 -1.13 -1.19 113.55 117.23 2xak h SER 242 Ca -0.02 0.09 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2xak h SER 242 Cb 0.24 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2xak h SER 242 CO 0.04 0.23 -0.13 0.00 -1.14 0.00 0.00 176.83 175.83 2xak h ALA 243 N 1.54 0.63 -0.34 3.77 0.00 -0.30 -2.61 119.26 121.95 2xak h ALA 243 Ca 0.44 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2xak h ALA 243 Cb 0.60 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2xak h ALA 243 CO -0.35 0.55 0.13 0.82 0.00 0.00 0.00 179.25 180.39 2xak h ILE 244 N 0.74 0.91 0.18 0.00 2.04 -0.52 -1.24 117.51 119.62 2xak h ILE 244 Ca 0.11 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.89 2xak h ILE 244 Cb 0.68 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 2xak h ILE 244 CO 0.05 0.05 -0.25 0.58 0.00 0.00 0.00 178.15 178.58 2xak h VAL 245 N 0.27 0.45 -0.51 1.67 2.07 -1.15 0.31 116.25 119.36 2xak h VAL 245 Ca 0.15 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.78 2xak h VAL 245 Cb 0.12 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.24 2xak h VAL 245 CO -0.15 0.00 -0.15 0.11 0.02 0.00 0.00 177.57 177.40 2xak h LYS 246 N -0.50 -0.02 -0.05 1.57 1.79 -1.36 -0.58 116.57 117.42 2xak h LYS 246 Ca 0.01 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.31 2xak h LYS 246 Cb 0.49 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 2xak h LYS 246 CO -0.10 -0.02 -0.75 1.88 -1.08 0.00 0.00 179.45 179.38 2xak h TYR 247 N -0.03 0.40 0.00 -1.35 0.05 -0.65 -2.74 116.97 112.65 2xak h TYR 247 Ca 0.25 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2xak h TYR 247 Cb 0.40 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2xak h TYR 247 CO -0.45 0.93 0.00 -0.39 -1.05 0.00 0.00 178.16 177.20 2xak h VAL 248 N 0.19 0.00 0.00 -2.88 -1.51 -0.21 -2.29 116.25 109.55 2xak h VAL 248 Ca -0.03 -0.69 -0.02 0.00 -1.23 0.00 0.00 66.70 64.74 2xak h VAL 248 Cb 1.32 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 32.15 2xak h VAL 248 CO 0.12 0.00 -0.07 0.77 -1.23 0.00 0.00 177.57 177.16 2xak h SER 249 N 0.00 0.00 -0.38 4.19 4.64 -0.78 -1.48 113.55 119.74 2xak h SER 249 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2xak h SER 249 Cb 0.69 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 2xak h SER 249 CO 0.00 0.07 0.03 0.00 -0.87 0.00 0.00 176.83 176.06 2xak n GLN 250 N -3.49 3.18 -1.20 4.77 6.02 -1.09 -4.98 117.38 120.58 2xak n GLN 250 Ca -0.02 -2.96 -0.07 0.00 -0.01 0.00 0.00 57.00 53.94 2xak n GLN 250 Cb 0.20 -1.95 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 2xak n GLN 250 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2xak n ARG 251 N -0.38 -0.77 -2.48 -1.09 1.74 -0.56 -4.96 116.66 108.16 2xak n ARG 251 Ca 0.26 0.67 -0.37 0.00 -0.77 0.00 0.00 57.85 57.63 2xak n ARG 251 Cb 1.02 -4.52 -0.04 0.00 -1.02 0.00 0.00 32.46 27.90 2xak n ARG 251 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xak s ALA 252 N -2.11 3.14 0.27 7.54 0.00 -0.88 -4.94 121.76 124.78 2xak s ALA 252 Ca 0.00 0.78 -0.24 0.00 0.00 0.00 0.00 51.96 52.51 2xak s ALA 252 Cb 0.00 -3.30 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2xak s ALA 252 CO 0.00 -0.27 0.84 0.20 0.00 0.00 0.00 175.76 176.53 2xak s GLY 253 N -1.38 2.75 -0.06 0.00 0.00 -0.63 -4.44 107.32 103.56 2xak s GLY 253 Ca 0.56 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.70 2xak s GLY 253 CO 0.32 0.80 -0.20 -0.42 0.00 0.00 0.00 173.10 173.60 2xak s ILE 254 N -1.52 2.56 -0.26 0.90 -1.09 -0.89 -1.26 121.20 119.64 2xak s ILE 254 Ca 0.46 -0.89 -0.05 0.00 -2.23 0.00 0.00 60.65 57.94 2xak s ILE 254 Cb -0.19 -1.98 0.01 0.00 -1.58 0.00 0.00 42.46 38.72 2xak s ILE 254 CO 0.23 0.57 0.01 -0.83 -1.23 0.00 0.00 174.94 173.69 2xak s GLY 255 N -0.31 1.69 -0.20 6.18 0.00 0.18 -1.83 107.32 113.03 2xak s GLY 255 Ca 0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 2xak s GLY 255 CO 0.02 0.54 -0.04 -0.42 0.00 0.00 0.00 173.10 173.20 2xak s ILE 256 N 1.46 3.49 -0.45 0.90 1.01 -0.13 -0.87 121.20 126.60 2xak s ILE 256 Ca 0.03 -0.47 -0.18 0.00 0.00 0.00 0.00 60.65 60.03 2xak s ILE 256 Cb -0.16 -2.57 0.03 0.00 0.01 0.00 0.00 42.46 39.78 2xak s ILE 256 CO -0.01 0.44 0.52 0.21 0.00 0.00 0.00 174.94 176.11 2xak s ASN 257 N 1.15 6.23 -0.16 3.58 2.47 -0.77 -0.21 114.94 127.23 2xak s ASN 257 Ca 0.02 -0.70 0.17 0.00 0.42 0.00 0.00 52.86 52.77 2xak s ASN 257 Cb -0.14 -2.26 0.39 0.00 -1.45 0.00 0.00 41.25 37.79 2xak s ASN 257 CO -0.01 -0.70 1.26 0.00 -3.72 0.00 0.00 177.10 173.93 2xak n ALA 258 N 5.86 2.73 0.30 1.71 0.00 -0.74 -1.11 120.51 129.26 2xak n ALA 258 Ca -0.06 -2.62 0.18 0.00 0.00 0.00 0.00 53.44 50.95 2xak n ALA 258 Cb 0.47 -0.51 0.95 0.00 0.00 0.00 0.00 19.45 20.36 2xak n ALA 258 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2xak h GLY 259 N 0.70 0.00 1.13 0.00 0.00 -1.78 -3.09 103.07 100.03 2xak h GLY 259 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2xak h GLY 259 CO 0.09 0.00 -0.44 0.54 0.00 0.00 0.00 176.54 176.73 2xak n ARG 260 N -3.30 0.01 -1.84 4.80 1.74 -1.26 -4.79 116.66 112.02 2xak n ARG 260 Ca -0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2xak n ARG 260 Cb 0.17 -1.51 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2xak n ARG 260 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2xak s ILE 261 N -3.01 2.58 0.87 0.55 1.01 -1.17 -4.42 121.20 117.62 2xak s ILE 261 Ca 0.11 0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.93 2xak s ILE 261 Cb 0.18 -3.18 0.11 0.00 0.01 0.00 0.00 42.46 39.58 2xak s ILE 261 CO 0.68 0.01 1.10 0.00 0.00 0.00 0.00 174.94 176.73 2xak s ARG 262 N 1.91 1.45 0.47 2.79 1.70 -1.26 -4.79 118.95 121.22 2xak s ARG 262 Ca 0.75 1.09 -0.12 0.00 -0.47 0.00 0.00 55.73 56.97 2xak s ARG 262 Cb -0.44 -1.81 -0.07 0.00 -0.57 0.00 0.00 34.95 32.06 2xak s ARG 262 CO 0.33 -2.18 0.87 0.00 -1.08 0.00 0.00 175.30 173.24 2xak s ALA 263 N -2.84 3.23 -0.38 7.88 0.00 -1.26 -4.14 121.76 124.24 2xak s ALA 263 Ca 0.63 -0.07 -0.41 0.00 0.00 0.00 0.00 51.96 52.11 2xak s ALA 263 Cb -0.19 -2.88 -0.16 0.00 0.00 0.00 0.00 23.12 19.89 2xak s ALA 263 CO 0.57 -0.16 1.88 -0.11 0.00 0.00 0.00 175.76 177.94 2xak n LEU 264 N -1.56 1.78 0.00 0.00 7.94 -1.26 -2.04 117.00 121.86 2xak n LEU 264 Ca 0.04 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.83 2xak n LEU 264 Cb 0.54 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 43.43 2xak n LEU 264 CO 0.48 -0.63 0.00 0.61 -1.11 0.00 0.00 177.39 176.74 2xak n GLY 265 N 5.28 1.46 3.76 -3.96 0.00 0.35 -4.95 105.19 107.13 2xak n GLY 265 Ca 0.36 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 2xak n GLY 265 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xak s SER 266 N -1.88 5.93 0.00 1.61 0.01 -0.87 -4.98 113.70 113.52 2xak s SER 266 Ca 0.00 2.59 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2xak s SER 266 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2xak s SER 266 CO 0.00 -1.10 0.00 -2.65 0.41 0.00 0.00 173.24 169.90 2xak n PRO 267 N -0.42 0.00 0.00 12.44 -0.02 -1.26 -4.04 135.00 141.69 2xak n PRO 267 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2xak n PRO 267 Cb 0.45 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 2xak n PRO 267 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2xak n PHE 274 N 0.00 0.00 -0.17 6.00 3.72 -1.26 -5.10 117.46 120.65 2xak n PHE 274 Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 2xak n PHE 274 Cb 0.00 0.00 0.18 0.00 -0.94 0.00 0.00 39.48 38.72 2xak n PHE 274 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2xak n HIS 275 N 0.00 0.38 0.84 1.38 -0.00 -1.26 0.14 115.22 116.70 2xak n HIS 275 Ca 0.00 0.60 0.14 0.00 0.46 0.00 0.00 57.72 58.92 2xak n HIS 275 Cb 0.00 -0.91 0.53 0.00 -0.12 0.00 0.00 29.99 29.49 2xak n HIS 275 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 2xak n THR 276 N -4.48 0.26 0.00 3.57 -2.24 -1.26 -0.49 114.28 109.63 2xak n THR 276 Ca 0.13 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 2xak n THR 276 Cb 0.44 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 2xak n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xak n GLY 277 N 1.39 1.94 0.07 3.38 0.00 0.38 -4.77 105.19 107.59 2xak n GLY 277 Ca 0.06 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.94 2xak n GLY 277 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xak h ILE 279 N -0.03 0.65 -0.82 0.00 2.04 -1.96 0.34 117.51 117.73 2xak h ILE 279 Ca 0.03 -0.15 0.12 0.00 1.00 0.00 0.00 64.86 65.86 2xak h ILE 279 Cb 0.16 0.18 -0.06 0.00 -0.74 0.00 0.00 36.82 36.36 2xak h ILE 279 CO -0.00 0.08 0.54 -0.65 0.00 0.00 0.00 178.15 178.11 2xak h PRO 280 N 0.43 0.64 0.07 2.37 0.11 -1.87 0.62 132.00 134.37 2xak h PRO 280 Ca 0.41 -0.04 -0.25 0.00 0.11 0.00 0.00 66.00 66.23 2xak h PRO 280 Cb 0.63 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.60 2xak h PRO 280 CO -0.41 0.43 -1.09 0.74 -0.21 0.00 0.00 178.00 177.45 2xak h PHE 281 N 0.66 0.56 -0.33 0.65 0.04 -0.62 -2.79 116.94 115.11 2xak h PHE 281 Ca 0.40 -0.35 0.03 0.00 2.80 0.00 0.00 57.97 60.84 2xak h PHE 281 Cb 0.61 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.69 2xak h PHE 281 CO -0.00 1.22 0.15 1.88 -0.60 0.00 0.00 178.31 180.96 2xak h TYR 282 N 0.15 0.28 -0.82 -0.55 -1.99 -0.12 0.16 116.97 114.08 2xak h TYR 282 Ca -0.11 0.01 0.13 0.00 2.00 0.00 0.00 58.73 60.76 2xak h TYR 282 Cb 1.77 -0.08 -0.09 0.00 2.00 0.00 0.00 36.73 40.34 2xak h TYR 282 CO 0.06 0.15 0.42 0.87 -0.00 0.00 0.00 178.16 179.66 2xak h LYS 283 N 0.32 0.63 -0.62 4.88 1.57 -0.93 -0.04 116.57 122.37 2xak h LYS 283 Ca 0.14 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2xak h LYS 283 Cb 0.06 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2xak h LYS 283 CO -0.11 0.41 0.03 1.25 -0.57 0.00 0.00 179.45 180.47 2xak h HIS 284 N 0.65 1.17 -0.86 -1.35 2.76 -0.93 -1.48 115.15 115.11 2xak h HIS 284 Ca 0.43 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2xak h HIS 284 Cb 0.55 -0.31 -0.04 0.00 1.55 0.00 0.00 27.41 29.16 2xak h HIS 284 CO -0.09 1.02 0.49 0.74 -1.30 0.00 0.00 177.93 178.78 2xak h PHE 285 N 0.99 1.16 -0.56 5.26 0.04 0.21 -1.93 116.94 122.11 2xak h PHE 285 Ca 0.18 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 2xak h PHE 285 Cb 0.53 -0.37 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 2xak h PHE 285 CO 0.04 0.79 0.19 0.37 -0.60 0.00 0.00 178.31 179.10 2xak h GLN 286 N 1.20 0.82 -0.01 1.51 4.15 -0.19 -0.59 115.11 122.00 2xak h GLN 286 Ca 0.30 -0.14 -0.16 0.00 0.77 0.00 0.00 58.65 59.42 2xak h GLN 286 Cb 0.00 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 2xak h GLN 286 CO -0.05 0.70 -0.75 1.79 -1.93 0.00 0.00 178.83 178.59 2xak h THR 287 N 0.81 1.50 -0.27 2.39 1.35 -1.11 -2.49 112.91 115.09 2xak h THR 287 Ca 0.19 -2.46 -0.00 0.00 -0.55 0.00 0.00 66.41 63.58 2xak h THR 287 Cb 0.21 2.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 2xak h THR 287 CO -0.01 0.71 0.16 0.00 -0.25 0.00 0.00 175.52 176.12 2xak h ALA 288 N 1.19 0.34 -0.15 6.62 0.00 -0.75 -1.07 119.26 125.45 2xak h ALA 288 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2xak h ALA 288 Cb 1.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2xak h ALA 288 CO 0.10 -0.15 -0.02 0.28 0.00 0.00 0.00 179.25 179.46 2xak h VAL 289 N 0.33 1.11 -0.38 0.00 2.07 -1.02 -2.90 116.25 115.46 2xak h VAL 289 Ca 0.09 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2xak h VAL 289 Cb 0.03 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2xak h VAL 289 CO -0.02 0.14 0.00 0.29 0.02 0.00 0.00 177.57 178.00 2xak n LYS 290 N -4.39 2.36 0.25 1.57 4.01 -0.95 -4.55 118.16 116.45 2xak n LYS 290 Ca -0.01 -2.10 0.17 0.00 -0.51 0.00 0.00 58.31 55.86 2xak n LYS 290 Cb 0.17 -1.40 0.87 0.00 -0.51 0.00 0.00 35.03 34.16 2xak n LYS 290 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2xak h SER 291 N 3.29 0.00 -0.97 4.39 4.64 -0.98 -3.11 113.55 120.80 2xak h SER 291 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 2xak h SER 291 Cb 0.82 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.50 2xak h SER 291 CO 0.00 0.00 -0.95 0.00 -0.87 0.00 0.00 176.83 175.01 2xak s SER 293 N -3.51 -0.49 1.85 0.00 1.04 -1.18 -4.92 113.70 106.50 2xak s SER 293 Ca 0.39 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.69 2xak s SER 293 Cb 0.40 0.76 0.00 0.00 0.10 0.00 0.00 66.02 67.28 2xak s SER 293 CO -0.04 -0.19 0.00 1.67 0.98 0.00 0.00 173.24 175.65 2xak n GLN 294 N 4.29 0.00 -3.46 4.02 -0.06 -1.26 -0.88 117.38 120.04 2xak n GLN 294 Ca -0.23 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.50 2xak n GLN 294 Cb 0.55 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.63 2xak n GLN 294 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2xak n GLY 295 N 0.00 2.71 2.22 1.69 0.00 -1.26 -4.94 105.19 105.61 2xak n GLY 295 Ca 0.00 -1.65 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 2xak n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xak n GLY 296 N 2.39 -0.13 1.21 -0.02 0.00 -0.05 -4.78 105.19 103.80 2xak n GLY 296 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2xak n GLY 296 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2xak n VAL 297 N -2.64 0.00 -3.84 1.61 0.24 -1.23 -4.92 118.33 107.55 2xak n VAL 297 Ca -0.09 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.85 2xak n VAL 297 Cb 0.48 -0.63 -0.13 0.00 -1.47 0.00 0.00 33.84 32.09 2xak n VAL 297 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2xak s ARG 298 N -1.81 2.79 0.00 7.34 3.00 -1.26 -4.93 118.95 124.08 2xak s ARG 298 Ca 0.00 -1.04 0.00 0.00 -1.00 0.00 0.00 55.73 53.69 2xak s ARG 298 Cb 0.00 -3.26 0.00 0.00 0.00 0.00 0.00 34.95 31.69 2xak s ARG 298 CO 0.00 -0.52 0.00 0.41 0.00 0.00 0.00 175.30 175.19 2xak n GLY 299 N 4.76 2.58 1.32 8.12 0.00 -1.26 -4.09 105.19 116.61 2xak n GLY 299 Ca -0.14 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2xak n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xak n GLY 300 N 1.18 -3.62 3.25 -0.02 0.00 -1.26 -4.73 105.19 99.99 2xak n GLY 300 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 2xak n GLY 300 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xak s ALA 301 N -0.15 1.50 -0.02 4.61 0.00 -1.26 -4.73 121.76 121.71 2xak s ALA 301 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 2xak s ALA 301 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.12 2xak s ALA 301 CO 0.00 -0.00 0.25 0.00 0.00 0.00 0.00 175.76 176.01 2xak s ALA 302 N -2.77 -0.63 -0.12 0.00 0.00 -1.26 -2.10 121.76 114.87 2xak s ALA 302 Ca 0.13 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.36 2xak s ALA 302 Cb -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2xak s ALA 302 CO 0.02 -0.23 -0.17 0.99 0.00 0.00 0.00 175.76 176.38 2xak s THR 303 N -1.14 2.70 0.01 0.00 2.01 -0.76 -0.64 115.64 117.83 2xak s THR 303 Ca -0.12 -0.79 0.03 0.00 0.31 0.00 0.00 61.69 61.13 2xak s THR 303 Cb -0.05 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2xak s THR 303 CO 0.03 0.54 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.21 2xak s LEU 304 N 0.37 3.18 -0.03 4.42 0.20 0.94 -0.95 118.68 126.82 2xak s LEU 304 Ca -0.13 -0.16 0.06 0.00 0.69 0.00 0.00 54.13 54.59 2xak s LEU 304 Cb -0.17 -1.84 -0.01 0.00 -0.43 0.00 0.00 46.19 43.74 2xak s LEU 304 CO 0.06 0.27 -0.22 -0.36 -0.29 0.00 0.00 176.35 175.82 2xak s PHE 305 N -1.03 1.98 0.02 5.38 0.40 0.71 -0.39 117.98 125.06 2xak s PHE 305 Ca 0.18 -0.44 -0.16 0.00 -0.60 0.00 0.00 56.93 55.91 2xak s PHE 305 Cb -0.11 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.16 2xak s PHE 305 CO 0.08 -0.08 0.35 1.52 0.70 0.00 0.00 175.22 177.79 2xak s TYR 306 N -0.38 -0.19 0.40 0.36 -0.85 -1.02 -1.78 117.35 113.88 2xak s TYR 306 Ca 0.05 0.19 -0.24 0.00 -0.52 0.00 0.00 57.07 56.56 2xak s TYR 306 Cb -0.10 0.14 -0.09 0.00 0.38 0.00 0.00 41.96 42.29 2xak s TYR 306 CO 0.00 -0.48 1.03 -1.25 -1.52 0.00 0.00 175.55 173.34 2xak s PRO 307 N -2.00 4.16 0.56 -3.49 0.04 -1.26 -0.93 135.00 132.07 2xak s PRO 307 Ca -0.09 1.46 0.24 0.00 0.04 0.00 0.00 61.00 62.66 2xak s PRO 307 Cb -0.02 -2.49 1.56 0.00 0.04 0.00 0.00 34.50 33.58 2xak s PRO 307 CO 0.00 -0.14 2.16 1.98 0.04 0.00 0.00 177.00 181.05 2xak h MET 308 N 2.41 0.00 -0.22 4.56 4.05 -1.60 -2.25 114.93 121.88 2xak h MET 308 Ca -0.48 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.94 2xak h MET 308 Cb 1.21 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.01 2xak h MET 308 CO 0.62 0.00 0.00 -2.67 0.23 0.00 0.00 176.91 175.09 2xak n TRP 309 N -4.13 0.29 -1.74 1.39 4.27 -1.26 -4.82 117.44 111.44 2xak n TRP 309 Ca -0.01 -0.15 -0.41 0.00 -3.89 0.00 0.00 57.50 53.05 2xak n TRP 309 Cb 0.19 0.00 0.01 0.00 -1.36 0.00 0.00 31.31 30.15 2xak n TRP 309 CO 0.00 0.00 0.00 1.58 -2.29 0.00 0.00 177.69 176.98 2xak n HIS 310 N 0.39 2.49 0.06 -2.67 -0.00 -0.85 -1.24 115.22 113.41 2xak n HIS 310 Ca 0.15 0.47 0.14 0.00 0.46 0.00 0.00 57.72 58.94 2xak n HIS 310 Cb 0.32 -2.44 0.61 0.00 -0.12 0.00 0.00 29.99 28.37 2xak n HIS 310 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2xak h LEU 311 N 2.33 0.12 -1.66 0.27 5.85 -0.94 -1.51 115.31 119.77 2xak h LEU 311 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 2xak h LEU 311 Cb 1.28 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.28 2xak h LEU 311 CO 0.61 0.07 0.00 -0.62 -0.34 0.00 0.00 178.44 178.17 2xak n GLU 312 N -4.46 2.08 -0.33 1.25 1.02 -1.26 -4.58 120.64 114.36 2xak n GLU 312 Ca 0.06 -1.64 0.26 0.00 -0.02 0.00 0.00 57.16 55.82 2xak n GLU 312 Cb 0.36 -1.44 0.55 0.00 -0.02 0.00 0.00 31.44 30.89 2xak n GLU 312 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2xak h VAL 313 N 3.24 0.47 -0.27 2.62 3.04 -1.59 0.26 116.25 124.02 2xak h VAL 313 Ca 0.00 -0.11 -0.10 0.00 -1.01 0.00 0.00 66.70 65.48 2xak h VAL 313 Cb 0.71 0.14 -0.01 0.00 -2.01 0.00 0.00 31.29 30.12 2xak h VAL 313 CO 0.00 0.06 -0.26 -0.08 -1.01 0.00 0.00 177.57 176.27 2xak h GLU 314 N 0.31 0.53 0.19 4.17 4.81 -1.83 0.20 114.58 122.96 2xak h GLU 314 Ca 0.61 -0.21 -0.31 0.00 -0.13 0.00 0.00 59.36 59.31 2xak h GLU 314 Cb 1.70 -0.03 0.02 0.00 0.63 0.00 0.00 28.75 31.07 2xak h GLU 314 CO -0.27 0.75 -1.43 0.77 -0.73 0.00 0.00 179.01 178.11 2xak h SER 315 N 0.47 0.63 -0.72 1.04 0.02 -0.92 -3.34 113.55 110.73 2xak h SER 315 Ca 0.07 -0.71 -0.03 0.00 -0.84 0.00 0.00 61.79 60.28 2xak h SER 315 Cb 0.70 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2xak h SER 315 CO 0.05 1.56 0.33 -0.07 -1.14 0.00 0.00 176.83 177.57 2xak h LEU 316 N 0.11 0.97 -2.15 5.07 3.38 -0.82 -3.03 115.31 118.84 2xak h LEU 316 Ca -0.22 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.70 2xak h LEU 316 Cb 2.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 2xak h LEU 316 CO 0.23 0.83 0.21 -0.07 0.09 0.00 0.00 178.44 179.74 2xak h LEU 317 N 1.05 0.00 -2.66 1.67 4.07 -0.74 -2.81 115.31 115.90 2xak h LEU 317 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 2xak h LEU 317 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2xak h LEU 317 CO -0.03 0.00 0.00 1.33 -1.08 0.00 0.00 178.44 178.66 2xak n VAL 318 N -4.02 0.84 0.28 1.22 0.24 -1.15 -4.71 118.33 111.04 2xak n VAL 318 Ca 0.03 -0.92 0.13 0.00 -2.04 0.00 0.00 64.34 61.54 2xak n VAL 318 Cb 0.35 0.61 0.63 0.00 -1.47 0.00 0.00 33.84 33.97 2xak n VAL 318 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2xak h LEU 319 N 1.78 0.00 -0.81 1.34 3.38 -1.49 -1.98 115.31 117.53 2xak h LEU 319 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2xak h LEU 319 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2xak h LEU 319 CO 0.00 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.82 2xak n LYS 320 N -2.92 0.19 -2.09 1.13 2.85 -1.26 -0.57 118.16 115.48 2xak n LYS 320 Ca 0.00 -0.40 -0.42 0.00 -1.05 0.00 0.00 58.31 56.44 2xak n LYS 320 Cb 0.57 -0.90 -0.03 0.00 -0.65 0.00 0.00 35.03 34.03 2xak n LYS 320 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 2xak s ASN 321 N -0.14 6.69 -0.23 -5.58 2.47 -0.75 -4.86 114.94 112.54 2xak s ASN 321 Ca 0.00 2.07 -0.27 0.00 0.42 0.00 0.00 52.86 55.09 2xak s ASN 321 Cb 0.00 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.27 2xak s ASN 321 CO 0.00 -0.93 0.92 0.54 -3.72 0.00 0.00 177.10 173.92 2xak s ASN 322 N 3.18 6.97 0.00 -4.21 2.20 -1.26 -4.78 114.94 117.03 2xak s ASN 322 Ca 0.70 1.21 0.00 0.00 -0.94 0.00 0.00 52.86 53.82 2xak s ASN 322 Cb -0.30 -2.49 0.00 0.00 -2.00 0.00 0.00 41.25 36.46 2xak s ASN 322 CO 0.27 -0.57 0.00 0.54 -2.94 0.00 0.00 177.10 174.39 2xak n ARG 323 N 6.07 0.00 0.00 3.55 1.74 -1.26 -5.16 116.66 121.59 2xak n ARG 323 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2xak n ARG 323 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 2xak n ARG 323 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2xak n GLY 324 N -1.57 -1.97 3.77 -0.13 0.00 -1.26 -5.01 105.19 99.01 2xak n GLY 324 Ca 0.00 -1.50 -0.31 0.00 0.00 0.00 0.00 46.02 44.21 2xak n GLY 324 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xak s VAL 325 N -3.05 3.36 0.32 1.61 0.11 -1.26 -4.92 120.40 116.57 2xak s VAL 325 Ca 0.00 0.44 0.09 0.00 -2.93 0.00 0.00 61.98 59.58 2xak s VAL 325 Cb 0.00 -2.98 0.33 0.00 -1.53 0.00 0.00 36.38 32.20 2xak s VAL 325 CO 0.00 -0.58 1.64 -0.08 -3.33 0.00 0.00 175.10 172.75 2xak h GLU 326 N -1.11 0.21 -0.02 1.54 4.57 -1.95 -1.94 114.58 115.88 2xak h GLU 326 Ca -0.44 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.72 2xak h GLU 326 Cb 1.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 2xak h GLU 326 CO 0.53 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 178.91 2xak n GLY 327 N -1.34 -0.88 0.42 1.92 0.00 -1.26 -2.52 105.19 101.53 2xak n GLY 327 Ca 0.27 -0.08 0.05 0.00 0.00 0.00 0.00 46.02 46.26 2xak n GLY 327 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xak n ASN 328 N -0.54 2.05 -4.04 1.61 5.03 -0.73 -4.94 115.26 113.70 2xak n ASN 328 Ca 0.07 -1.56 -0.31 0.00 0.87 0.00 0.00 54.58 53.66 2xak n ASN 328 Cb 0.05 -0.05 -0.16 0.00 -1.02 0.00 0.00 39.78 38.60 2xak n ASN 328 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2xak s ARG 329 N -0.84 2.39 -0.60 3.52 1.81 -1.05 -4.53 118.95 119.64 2xak s ARG 329 Ca 0.13 -0.72 0.04 0.00 -1.72 0.00 0.00 55.73 53.46 2xak s ARG 329 Cb 0.09 -2.32 0.15 0.00 -0.45 0.00 0.00 34.95 32.41 2xak s ARG 329 CO 0.12 -0.29 0.37 0.08 -0.68 0.00 0.00 175.30 174.91 2xak s VAL 330 N 1.40 2.61 0.06 3.52 1.01 0.26 -5.00 120.40 124.27 2xak s VAL 330 Ca 0.03 -3.73 -0.09 0.00 0.00 0.00 0.00 61.98 58.19 2xak s VAL 330 Cb -0.14 -2.76 -0.31 0.00 0.00 0.00 0.00 36.38 33.17 2xak s VAL 330 CO -0.10 -0.92 1.10 0.03 0.00 0.00 0.00 175.10 175.20 2xak h ARG 331 N 5.95 0.41 -0.81 2.72 -0.00 -1.89 -3.37 114.38 117.39 2xak h ARG 331 Ca 0.04 -0.67 -0.04 0.00 -0.50 0.00 0.00 59.98 58.82 2xak h ARG 331 Cb 0.83 0.24 -0.02 0.00 0.00 0.00 0.00 29.97 31.02 2xak h ARG 331 CO 0.68 1.31 0.05 0.72 0.00 0.00 0.00 179.97 182.73 2xak n HIS 332 N -3.63 1.18 -4.34 3.04 8.25 -1.26 -4.77 115.22 113.69 2xak n HIS 332 Ca -0.12 -0.50 -0.22 0.00 -0.26 0.00 0.00 57.72 56.62 2xak n HIS 332 Cb 1.04 -0.36 -0.11 0.00 1.12 0.00 0.00 29.99 31.68 2xak n HIS 332 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2xak s MET 333 N -1.91 1.29 0.35 -0.41 -1.94 -1.26 -4.66 119.30 110.77 2xak s MET 333 Ca 0.29 -1.43 0.05 0.00 -1.71 0.00 0.00 55.69 52.89 2xak s MET 333 Cb 0.23 -1.34 -0.01 0.00 2.01 0.00 0.00 34.83 35.72 2xak s MET 333 CO 0.08 0.27 0.51 -0.51 -0.01 0.00 0.00 175.02 175.36 2xak s ASP 334 N -2.73 5.96 0.00 3.03 1.01 0.19 -4.95 116.67 119.18 2xak s ASP 334 Ca 0.17 -0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.38 2xak s ASP 334 Cb -0.05 -1.33 -0.01 0.00 1.01 0.00 0.00 42.92 42.54 2xak s ASP 334 CO 0.07 -0.47 -0.08 -0.31 0.21 0.00 0.00 175.17 174.59 2xak s TYR 335 N -2.25 0.71 -0.17 4.23 2.02 -1.14 -0.04 117.35 120.71 2xak s TYR 335 Ca 0.45 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.98 2xak s TYR 335 Cb -0.10 -0.45 0.02 0.00 -0.40 0.00 0.00 41.96 41.04 2xak s TYR 335 CO 0.32 -0.01 -0.16 0.20 -1.57 0.00 0.00 175.55 174.33 2xak s GLY 336 N -0.38 1.27 -0.19 0.71 0.00 0.48 0.13 107.32 109.34 2xak s GLY 336 Ca 0.02 -1.10 -0.17 0.00 0.00 0.00 0.00 44.72 43.47 2xak s GLY 336 CO -0.00 0.44 0.44 0.14 0.00 0.00 0.00 173.10 174.12 2xak s VAL 337 N 1.38 5.18 -0.43 1.40 1.01 0.17 -2.44 120.40 126.67 2xak s VAL 337 Ca 0.04 0.80 -0.20 0.00 0.00 0.00 0.00 61.98 62.62 2xak s VAL 337 Cb -0.13 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.50 2xak s VAL 337 CO -0.11 0.25 0.61 -1.10 0.00 0.00 0.00 175.10 174.75 2xak s GLN 338 N 1.24 3.30 0.10 2.72 -0.21 -0.11 -1.14 119.66 125.56 2xak s GLN 338 Ca 0.21 -0.38 0.09 0.00 0.02 0.00 0.00 55.36 55.30 2xak s GLN 338 Cb -0.15 -3.94 -0.04 0.00 1.00 0.00 0.00 33.01 29.89 2xak s GLN 338 CO 0.08 -0.96 -0.19 0.42 -2.12 0.00 0.00 175.29 172.52 2xak s ILE 339 N 2.72 2.77 0.32 1.08 1.01 -0.27 -1.45 121.20 127.38 2xak s ILE 339 Ca 0.21 -1.44 0.03 0.00 0.00 0.00 0.00 60.65 59.45 2xak s ILE 339 Cb -0.14 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.04 2xak s ILE 339 CO 0.18 0.16 0.09 0.54 0.00 0.00 0.00 174.94 175.91 2xak s ASN 340 N -1.95 2.02 0.31 3.58 4.22 -1.26 -1.30 114.94 120.56 2xak s ASN 340 Ca 0.17 -1.46 0.07 0.00 -2.14 0.00 0.00 52.86 49.50 2xak s ASN 340 Cb -0.10 0.15 0.86 0.00 1.28 0.00 0.00 41.25 43.44 2xak s ASN 340 CO 0.08 -0.74 1.67 0.50 -2.04 0.00 0.00 177.10 176.57 2xak h LYS 341 N 2.14 0.30 -0.30 3.55 3.64 -1.99 -2.04 116.57 121.88 2xak h LYS 341 Ca -0.38 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.01 2xak h LYS 341 Cb 1.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2xak h LYS 341 CO 0.63 0.20 0.10 1.25 -2.27 0.00 0.00 179.45 179.36 2xak h LEU 342 N 0.31 0.11 -0.97 5.20 5.85 -1.97 -1.83 115.31 122.01 2xak h LEU 342 Ca 0.62 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.49 2xak h LEU 342 Cb 1.31 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.28 2xak h LEU 342 CO -0.60 0.10 0.60 0.24 -0.34 0.00 0.00 178.44 178.43 2xak h MET 343 N 0.23 0.94 -0.24 1.25 2.86 -1.79 -1.49 114.93 116.69 2xak h MET 343 Ca 0.13 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 2xak h MET 343 Cb 0.10 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 31.55 2xak h MET 343 CO -0.14 0.62 -0.31 1.88 1.06 0.00 0.00 176.91 180.02 2xak h TYR 344 N 0.96 0.77 -0.27 -0.22 0.05 -1.41 -2.59 116.97 114.27 2xak h TYR 344 Ca 0.47 -0.25 0.05 0.00 0.05 0.00 0.00 58.73 59.06 2xak h TYR 344 Cb 0.45 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 37.98 2xak h TYR 344 CO -0.02 0.98 -0.06 1.15 -1.05 0.00 0.00 178.16 179.17 2xak h THR 345 N 0.34 0.74 -0.61 -2.88 2.02 -0.61 0.15 112.91 112.06 2xak h THR 345 Ca 0.03 -0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.33 2xak h THR 345 Cb 0.88 0.73 -0.11 0.00 -1.74 0.00 0.00 68.15 67.91 2xak h THR 345 CO 0.07 0.00 -0.13 0.03 0.37 0.00 0.00 175.52 175.86 2xak h ARG 346 N 0.01 0.01 0.26 6.66 2.47 -1.24 0.13 114.38 122.69 2xak h ARG 346 Ca 0.13 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.85 2xak h ARG 346 Cb 0.19 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 2xak h ARG 346 CO -0.27 0.01 -0.31 1.25 0.56 0.00 0.00 179.97 181.21 2xak h LEU 347 N 0.01 -0.84 -0.63 3.04 5.85 -0.62 -1.03 115.31 121.09 2xak h LEU 347 Ca 0.30 0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.18 2xak h LEU 347 Cb 0.46 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 2xak h LEU 347 CO -0.62 -0.43 0.30 -0.07 -0.34 0.00 0.00 178.44 177.28 2xak h LEU 348 N -0.62 0.38 -3.18 2.25 3.38 0.07 -1.57 115.31 116.02 2xak h LEU 348 Ca -0.00 0.05 -0.30 0.00 0.09 0.00 0.00 57.88 57.72 2xak h LEU 348 Cb 0.58 -0.01 -0.17 0.00 0.09 0.00 0.00 40.66 41.15 2xak h LEU 348 CO -0.09 0.24 0.39 0.29 0.09 0.00 0.00 178.44 179.35 2xak n LYS 349 N -4.90 1.73 -3.08 1.13 5.02 0.39 -4.91 118.16 113.55 2xak n LYS 349 Ca 0.09 -1.70 -0.15 0.00 -2.02 0.00 0.00 58.31 54.52 2xak n LYS 349 Cb 0.23 -1.67 -0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2xak n LYS 349 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xak n GLY 350 N -0.33 -0.10 0.00 0.72 0.00 -0.59 -4.91 105.19 99.98 2xak n GLY 350 Ca 0.34 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2xak n GLY 350 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xak n GLU 351 N -2.32 1.95 -3.69 1.61 1.02 -0.43 -4.93 120.64 113.85 2xak n GLU 351 Ca -0.06 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.82 2xak n GLU 351 Cb 0.25 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.65 2xak n GLU 351 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2xak s ASP 352 N -0.85 6.36 -0.13 1.62 -0.00 -1.26 -1.49 116.67 120.92 2xak s ASP 352 Ca 0.00 0.36 -0.01 0.00 -0.00 0.00 0.00 52.55 52.90 2xak s ASP 352 Cb 0.00 -1.99 -0.02 0.00 -0.00 0.00 0.00 42.92 40.91 2xak s ASP 352 CO 0.00 -0.08 -0.10 -0.63 -0.00 0.00 0.00 175.17 174.36 2xak s ILE 353 N -1.94 3.34 -0.17 0.77 1.01 -0.38 -4.75 121.20 119.08 2xak s ILE 353 Ca 0.38 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.35 2xak s ILE 353 Cb -0.11 -2.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 2xak s ILE 353 CO 0.30 0.52 0.22 -0.89 0.00 0.00 0.00 174.94 175.09 2xak s THR 354 N 0.29 5.35 -0.17 2.92 2.01 -1.26 -2.12 115.64 122.66 2xak s THR 354 Ca -0.08 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 2xak s THR 354 Cb -0.15 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2xak s THR 354 CO 0.05 0.43 0.29 -0.76 -0.69 0.00 0.00 174.62 173.94 2xak s LEU 355 N 0.27 4.22 0.24 4.42 1.43 0.05 -4.83 118.68 124.48 2xak s LEU 355 Ca 0.13 0.47 0.09 0.00 -1.03 0.00 0.00 54.13 53.79 2xak s LEU 355 Cb -0.12 -2.36 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 2xak s LEU 355 CO 0.02 0.07 -0.16 -0.36 0.23 0.00 0.00 176.35 176.15 2xak s PHE 356 N 0.64 1.94 0.04 0.29 0.08 -0.37 -2.07 117.98 118.53 2xak s PHE 356 Ca 0.16 -0.48 -0.27 0.00 0.12 0.00 0.00 56.93 56.46 2xak s PHE 356 Cb -0.13 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.39 2xak s PHE 356 CO 0.04 0.49 0.84 0.45 -0.10 0.00 0.00 175.22 176.95 2xak s SER 357 N -3.39 7.29 0.60 1.36 0.15 -1.26 -0.31 113.70 118.13 2xak s SER 357 Ca 0.25 1.54 0.30 0.00 0.70 0.00 0.00 55.95 58.75 2xak s SER 357 Cb -0.02 -2.51 1.77 0.00 -1.71 0.00 0.00 66.02 63.54 2xak s SER 357 CO 0.10 -0.06 2.17 1.55 1.20 0.00 0.00 173.24 178.20 2xak h PRO 358 N 5.95 0.00 0.00 5.44 0.13 -1.86 -1.27 132.00 140.39 2xak h PRO 358 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2xak h PRO 358 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2xak h PRO 358 CO 0.72 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.15 2xak h SER 359 N 0.00 0.00 0.07 1.44 4.64 -1.92 -3.03 113.55 114.75 2xak h SER 359 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2xak h SER 359 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2xak h SER 359 CO -0.00 0.00 -0.83 0.47 -0.87 0.00 0.00 176.83 175.60 2xak n ASP 360 N -2.64 1.11 -3.73 4.97 8.00 -0.48 -4.80 116.55 118.98 2xak n ASP 360 Ca 0.01 -0.99 -0.29 0.00 0.71 0.00 0.00 54.79 54.23 2xak n ASP 360 Cb 0.22 0.79 -0.12 0.00 -0.02 0.00 0.00 41.12 41.99 2xak n ASP 360 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2xak s VAL 361 N -2.90 1.69 0.34 2.53 -7.23 -1.15 -4.95 120.40 108.73 2xak s VAL 361 Ca 0.11 -3.01 -0.29 0.00 -1.81 0.00 0.00 61.98 56.98 2xak s VAL 361 Cb 0.17 -2.16 -0.11 0.00 0.56 0.00 0.00 36.38 34.84 2xak s VAL 361 CO 0.79 -0.96 1.53 -2.16 -0.31 0.00 0.00 175.10 173.99 2xak s PRO 362 N -0.13 4.12 0.00 4.82 0.04 -1.26 -2.20 135.00 140.38 2xak s PRO 362 Ca 0.21 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2xak s PRO 362 Cb -0.16 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2xak s PRO 362 CO -0.06 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.82 2xak n GLY 363 N 1.14 2.64 0.23 0.56 0.00 -1.26 -4.86 105.19 103.65 2xak n GLY 363 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2xak n GLY 363 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2xak h LEU 364 N 0.00 0.91 0.28 0.99 7.12 -1.81 -2.52 115.31 120.29 2xak h LEU 364 Ca 0.00 -0.56 -0.01 0.00 0.13 0.00 0.00 57.88 57.44 2xak h LEU 364 Cb 0.00 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 39.87 2xak h LEU 364 CO 0.00 1.31 -0.14 0.22 -0.13 0.00 0.00 178.44 179.70 2xak h TYR 365 N 0.56 -0.35 -0.17 1.25 3.20 -1.89 -2.33 116.97 117.24 2xak h TYR 365 Ca -0.00 -0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.91 2xak h TYR 365 Cb 1.18 0.12 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 2xak h TYR 365 CO 0.08 -0.22 -0.15 -0.44 -1.64 0.00 0.00 178.16 175.79 2xak h ASP 366 N -0.38 -0.47 -0.82 -2.11 3.45 -1.95 -2.84 116.42 111.30 2xak h ASP 366 Ca -0.04 0.09 0.03 0.00 0.43 0.00 0.00 57.03 57.54 2xak h ASP 366 Cb 0.29 0.23 -0.05 0.00 -0.56 0.00 0.00 39.33 39.25 2xak h ASP 366 CO 0.06 -0.19 0.53 0.00 -1.57 0.00 0.00 179.24 178.07 2xak h ALA 367 N 0.94 1.07 -1.18 3.45 0.00 -1.42 -1.07 119.26 121.04 2xak h ALA 367 Ca 0.11 -0.04 0.34 0.00 0.00 0.00 0.00 54.91 55.32 2xak h ALA 367 Cb 0.32 -0.29 -0.09 0.00 0.00 0.00 0.00 17.79 17.74 2xak h ALA 367 CO -0.27 0.37 0.80 0.35 0.00 0.00 0.00 179.25 180.50 2xak h PHE 368 N 1.04 0.40 0.02 0.00 3.57 -1.16 -0.52 116.94 120.29 2xak h PHE 368 Ca 0.32 0.01 -0.36 0.00 3.53 0.00 0.00 57.97 61.48 2xak h PHE 368 Cb -0.02 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.55 2xak h PHE 368 CO -0.02 -0.01 -2.21 1.19 -2.23 0.00 0.00 178.31 175.02 2xak n PHE 369 N -4.47 0.42 0.26 0.41 3.72 -0.63 -4.60 117.46 112.57 2xak n PHE 369 Ca 0.29 0.12 0.08 0.00 -0.05 0.00 0.00 57.45 57.89 2xak n PHE 369 Cb 1.15 -1.07 -0.12 0.00 -0.94 0.00 0.00 39.48 38.51 2xak n PHE 369 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2xak n ALA 370 N -2.90 3.14 -3.14 4.37 0.00 -0.50 -4.67 120.51 116.81 2xak n ALA 370 Ca -0.33 -0.42 0.02 0.00 0.00 0.00 0.00 53.44 52.71 2xak n ALA 370 Cb 1.07 -0.58 -0.00 0.00 0.00 0.00 0.00 19.45 19.94 2xak n ALA 370 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2xak s ASP 371 N -3.44 -1.37 0.28 0.00 -1.08 -0.30 -4.70 116.67 106.04 2xak s ASP 371 Ca -0.02 -0.38 -0.00 0.00 -0.52 0.00 0.00 52.55 51.63 2xak s ASP 371 Cb 0.11 1.78 0.39 0.00 -1.46 0.00 0.00 42.92 43.75 2xak s ASP 371 CO 0.69 -0.19 1.77 1.56 0.52 0.00 0.00 175.17 179.52 2xak h GLN 372 N 7.14 0.69 -0.02 4.34 1.08 -1.91 -0.73 115.11 125.70 2xak h GLN 372 Ca 0.01 -0.19 -0.22 0.00 -1.45 0.00 0.00 58.65 56.81 2xak h GLN 372 Cb 1.19 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 2xak h GLN 372 CO 0.08 0.74 -0.89 1.05 -0.95 0.00 0.00 178.83 178.86 2xak h GLU 373 N 0.64 0.41 -0.73 1.46 9.09 -1.97 -1.60 114.58 121.87 2xak h GLU 373 Ca 0.12 -0.41 -0.03 0.00 0.05 0.00 0.00 59.36 59.09 2xak h GLU 373 Cb 0.48 0.11 -0.03 0.00 -1.65 0.00 0.00 28.75 27.65 2xak h GLU 373 CO 0.02 1.07 0.32 1.49 0.05 0.00 0.00 179.01 181.97 2xak h GLU 374 N 0.24 1.06 0.19 1.06 4.57 -1.86 0.37 114.58 120.21 2xak h GLU 374 Ca -0.07 -0.16 0.01 0.00 -1.18 0.00 0.00 59.36 57.96 2xak h GLU 374 Cb 1.51 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.89 2xak h GLU 374 CO 0.15 0.84 -0.25 0.35 -1.18 0.00 0.00 179.01 178.93 2xak h PHE 375 N 1.04 -0.66 -0.32 0.92 3.57 -0.98 0.45 116.94 120.96 2xak h PHE 375 Ca 0.25 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.82 2xak h PHE 375 Cb 0.15 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.10 2xak h PHE 375 CO 0.01 -0.36 -0.08 1.49 -2.23 0.00 0.00 178.31 177.15 2xak h GLU 376 N -0.49 0.00 -0.31 1.11 4.81 -0.82 0.56 114.58 119.45 2xak h GLU 376 Ca 0.01 -0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 2xak h GLU 376 Cb 0.48 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.79 2xak h GLU 376 CO -0.09 0.00 -0.20 -0.09 -0.73 0.00 0.00 179.01 177.90 2xak h ARG 377 N 0.00 -0.16 -0.10 1.92 2.43 -0.11 -1.37 114.38 116.99 2xak h ARG 377 Ca 0.16 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2xak h ARG 377 Cb 0.24 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2xak h ARG 377 CO -0.33 -0.11 -0.00 -0.07 -1.51 0.00 0.00 179.97 177.95 2xak h LEU 378 N -0.17 0.18 -0.05 3.80 3.38 -0.30 -2.39 115.31 119.76 2xak h LEU 378 Ca 0.16 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2xak h LEU 378 Cb 0.41 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2xak h LEU 378 CO -0.41 0.45 -0.05 0.22 0.09 0.00 0.00 178.44 178.74 2xak h TYR 379 N -0.09 -0.12 -0.17 1.13 3.20 0.23 -0.01 116.97 121.14 2xak h TYR 379 Ca 0.03 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 2xak h TYR 379 Cb 0.36 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2xak h TYR 379 CO 0.03 -0.08 -0.40 1.79 -1.64 0.00 0.00 178.16 177.87 2xak h THR 380 N -0.06 1.30 0.46 1.81 1.35 -1.31 -0.35 112.91 116.11 2xak h THR 380 Ca 0.04 -1.53 -0.01 0.00 -0.55 0.00 0.00 66.41 64.36 2xak h THR 380 Cb 0.12 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.15 2xak h THR 380 CO -0.09 0.47 -0.33 0.50 -0.25 0.00 0.00 175.52 175.81 2xak h LYS 381 N 0.31 -0.75 0.00 4.72 3.64 -1.07 -2.53 116.57 120.90 2xak h LYS 381 Ca 0.03 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2xak h LYS 381 Cb 0.84 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2xak h LYS 381 CO 0.07 -0.50 -0.21 1.88 -2.27 0.00 0.00 179.45 178.42 2xak h TYR 382 N -0.78 0.00 -0.79 1.91 0.05 -0.82 -2.07 116.97 114.47 2xak h TYR 382 Ca -0.05 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.74 2xak h TYR 382 Cb 0.65 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.36 2xak h TYR 382 CO -0.13 0.21 0.52 0.93 -1.05 0.00 0.00 178.16 178.64 2xak h GLU 383 N 0.00 1.04 -0.08 4.88 5.08 -0.90 -2.94 114.58 121.66 2xak h GLU 383 Ca -0.00 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 2xak h GLU 383 Cb 0.41 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2xak h GLU 383 CO 0.03 0.69 -0.58 0.87 -1.00 0.00 0.00 179.01 179.02 2xak h LYS 384 N 1.07 0.25 -6.20 2.33 6.56 -0.98 -3.45 116.57 116.15 2xak h LYS 384 Ca 0.29 -0.16 -0.56 0.00 -1.06 0.00 0.00 60.65 59.16 2xak h LYS 384 Cb -0.12 0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.53 2xak h LYS 384 CO -0.06 0.76 0.99 0.34 -2.06 0.00 0.00 179.45 179.41 2xak s ASP 385 N -6.89 6.81 0.39 0.86 -1.08 -0.83 -4.91 116.67 111.01 2xak s ASP 385 Ca -0.04 1.93 0.23 0.00 -0.52 0.00 0.00 52.55 54.15 2xak s ASP 385 Cb 0.12 -2.54 0.35 0.00 -1.46 0.00 0.00 42.92 39.40 2xak s ASP 385 CO 0.80 -0.85 1.57 0.44 0.52 0.00 0.00 175.17 177.64 2xak h ASP 386 N 8.86 0.00 0.72 -0.34 3.32 -1.87 -3.11 116.42 124.01 2xak h ASP 386 Ca -0.32 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2xak h ASP 386 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2xak h ASP 386 CO 0.96 0.00 -0.07 -1.54 -1.72 0.00 0.00 179.24 176.87 2xak n SER 387 N -2.96 0.13 -4.68 6.45 3.41 -1.26 -4.79 113.62 109.91 2xak n SER 387 Ca 0.04 0.07 -0.42 0.00 -0.26 0.00 0.00 58.87 58.30 2xak n SER 387 Cb 0.52 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.15 2xak n SER 387 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2xak s ILE 388 N -2.80 4.86 0.27 -1.33 -1.09 -1.18 -5.03 121.20 114.91 2xak s ILE 388 Ca 0.20 1.77 -0.30 0.00 -2.23 0.00 0.00 60.65 60.09 2xak s ILE 388 Cb 0.19 -4.20 -0.11 0.00 -1.58 0.00 0.00 42.46 36.77 2xak s ILE 388 CO 0.52 0.05 1.49 -0.60 -1.23 0.00 0.00 174.94 175.17 2xak s ARG 389 N 1.93 4.21 0.18 2.79 3.52 -1.26 -4.98 118.95 125.34 2xak s ARG 389 Ca 0.42 2.40 -0.24 0.00 -0.13 0.00 0.00 55.73 58.19 2xak s ARG 389 Cb -0.17 -3.07 0.05 0.00 -1.56 0.00 0.00 34.95 30.20 2xak s ARG 389 CO 0.15 -0.49 0.84 -1.59 -0.81 0.00 0.00 175.30 173.40 2xak s LYS 390 N -0.50 1.36 -0.10 5.12 -2.85 -1.26 -4.66 119.74 116.85 2xak s LYS 390 Ca 0.60 -0.71 -0.05 0.00 -1.00 0.00 0.00 55.97 54.81 2xak s LYS 390 Cb -0.44 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 35.87 2xak s LYS 390 CO 0.46 -0.62 0.24 -1.14 0.10 0.00 0.00 175.35 174.39 2xak s GLN 391 N -3.52 0.20 -0.07 1.78 0.74 -0.88 -4.97 119.66 112.94 2xak s GLN 391 Ca 0.10 0.51 -0.17 0.00 0.05 0.00 0.00 55.36 55.85 2xak s GLN 391 Cb -0.03 -0.11 -0.05 0.00 1.10 0.00 0.00 33.01 33.92 2xak s GLN 391 CO 0.01 -0.16 0.46 1.03 -0.55 0.00 0.00 175.29 176.08 2xak s ARG 392 N 1.21 4.20 0.09 1.67 0.52 -1.26 -0.77 118.95 124.63 2xak s ARG 392 Ca -0.09 0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.59 2xak s ARG 392 Cb -0.10 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 2xak s ARG 392 CO -0.08 0.36 -0.06 0.14 0.02 0.00 0.00 175.30 175.68 2xak s VAL 393 N -0.04 0.66 -0.07 3.52 -7.23 -0.90 -5.00 120.40 111.34 2xak s VAL 393 Ca 0.25 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 2xak s VAL 393 Cb -0.16 -1.65 -0.03 0.00 0.56 0.00 0.00 36.38 35.10 2xak s VAL 393 CO 0.12 -0.87 1.18 -0.75 -0.31 0.00 0.00 175.10 174.46 2xak s LYS 394 N -3.79 4.35 0.36 4.82 2.47 -1.26 -1.25 119.74 125.43 2xak s LYS 394 Ca 0.11 1.64 0.08 0.00 -1.56 0.00 0.00 55.97 56.23 2xak s LYS 394 Cb 0.05 -3.57 0.78 0.00 -1.46 0.00 0.00 37.83 33.64 2xak s LYS 394 CO -0.05 -0.45 1.91 0.00 0.16 0.00 0.00 175.35 176.92 2xak h ALA 395 N 7.45 1.78 -0.25 3.13 0.00 -1.56 -0.65 119.26 129.16 2xak h ALA 395 Ca -0.33 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2xak h ALA 395 Cb 1.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2xak h ALA 395 CO 0.88 0.04 -0.10 0.28 0.00 0.00 0.00 179.25 180.35 2xak h VAL 396 N 0.72 1.21 -0.03 0.00 2.07 -1.87 -2.30 116.25 116.06 2xak h VAL 396 Ca 0.38 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.95 2xak h VAL 396 Cb 0.51 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2xak h VAL 396 CO -0.15 0.29 -0.23 -0.33 0.02 0.00 0.00 177.57 177.16 2xak h GLU 397 N 0.38 0.21 -0.39 1.57 5.08 -1.55 -2.25 114.58 117.63 2xak h GLU 397 Ca 0.08 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2xak h GLU 397 Cb 0.42 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 2xak h GLU 397 CO 0.02 0.87 0.21 1.25 -1.00 0.00 0.00 179.01 180.36 2xak h LEU 398 N -0.39 0.33 -1.49 1.33 5.85 -1.32 -0.56 115.31 119.07 2xak h LEU 398 Ca -0.02 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2xak h LEU 398 Cb 0.93 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2xak h LEU 398 CO 0.05 0.24 0.06 -0.26 -0.34 0.00 0.00 178.44 178.19 2xak h PHE 399 N 0.43 0.40 0.05 1.25 0.04 -1.48 -1.54 116.94 116.09 2xak h PHE 399 Ca 0.16 -0.02 -0.23 0.00 2.80 0.00 0.00 57.97 60.68 2xak h PHE 399 Cb 0.04 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.05 2xak h PHE 399 CO -0.08 0.36 -1.04 0.77 -0.60 0.00 0.00 178.31 177.72 2xak h SER 400 N 0.40 0.28 -0.27 2.17 0.02 -0.92 -1.33 113.55 113.90 2xak h SER 400 Ca 0.10 -0.26 -0.15 0.00 -0.84 0.00 0.00 61.79 60.63 2xak h SER 400 Cb 0.17 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 2xak h SER 400 CO -0.00 1.14 -0.40 0.25 -1.14 0.00 0.00 176.83 176.68 2xak h LEU 401 N 0.08 0.82 0.01 5.07 5.85 -0.88 0.06 115.31 126.32 2xak h LEU 401 Ca -0.07 -0.51 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2xak h LEU 401 Cb 1.73 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.51 2xak h LEU 401 CO 0.16 1.18 -0.07 -0.03 -0.34 0.00 0.00 178.44 179.34 2xak h MET 402 N 0.49 -0.12 -0.01 1.25 4.05 -1.31 -2.57 114.93 116.71 2xak h MET 402 Ca 0.03 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.35 2xak h MET 402 Cb 1.00 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.81 2xak h MET 402 CO 0.09 -0.08 -0.48 0.52 0.23 0.00 0.00 176.91 177.19 2xak h MET 403 N -0.13 0.03 0.82 0.39 2.86 -1.10 0.08 114.93 117.87 2xak h MET 403 Ca 0.03 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2xak h MET 403 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.82 2xak h MET 403 CO -0.07 0.50 -0.48 1.96 1.06 0.00 0.00 176.91 179.89 2xak h GLN 404 N 0.02 -1.16 -0.28 1.72 4.20 -0.94 0.33 115.11 119.00 2xak h GLN 404 Ca -0.00 0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.84 2xak h GLN 404 Cb 0.86 0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.86 2xak h GLN 404 CO 0.06 -0.77 -0.04 0.93 -0.67 0.00 0.00 178.83 178.34 2xak h GLU 405 N -1.21 0.03 -0.42 1.46 4.39 -1.26 0.12 114.58 117.70 2xak h GLU 405 Ca -0.11 -0.00 0.08 0.00 0.34 0.00 0.00 59.36 59.67 2xak h GLU 405 Cb 0.96 -0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.51 2xak h GLU 405 CO 0.13 0.02 -0.30 -0.09 -1.16 0.00 0.00 179.01 177.60 2xak h ARG 406 N 0.03 -0.21 -0.56 2.33 2.43 -0.99 -0.36 114.38 117.04 2xak h ARG 406 Ca 0.13 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 2xak h ARG 406 Cb 0.19 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.77 2xak h ARG 406 CO -0.26 -0.14 0.24 0.00 -1.51 0.00 0.00 179.97 178.29 2xak h ALA 407 N 0.86 0.73 0.01 2.80 0.00 0.17 0.36 119.26 124.19 2xak h ALA 407 Ca 0.19 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.74 2xak h ALA 407 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2xak h ALA 407 CO -0.55 0.33 -0.95 0.66 0.00 0.00 0.00 179.25 178.74 2xak h SER 408 N 0.77 0.08 0.13 0.00 4.64 -0.65 -3.35 113.55 115.16 2xak h SER 408 Ca 0.19 -0.08 -0.35 0.00 -0.47 0.00 0.00 61.79 61.08 2xak h SER 408 Cb 0.17 -0.03 -0.06 0.00 -0.31 0.00 0.00 62.40 62.18 2xak h SER 408 CO -0.02 0.98 -2.21 0.35 -0.87 0.00 0.00 176.83 175.06 2xak n THR 409 N -3.48 1.48 -0.07 2.95 -2.24 -0.16 -4.99 114.28 107.76 2xak n THR 409 Ca -0.02 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 2xak n THR 409 Cb 0.88 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2xak n THR 409 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xak n GLY 410 N 1.77 2.71 1.15 3.38 0.00 0.13 -4.87 105.19 109.46 2xak n GLY 410 Ca -0.30 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 2xak n GLY 410 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xak n ARG 411 N -2.00 2.17 -3.76 1.61 5.12 -1.26 -2.51 116.66 116.03 2xak n ARG 411 Ca 0.00 -3.53 -0.37 0.00 -1.93 0.00 0.00 57.85 52.01 2xak n ARG 411 Cb 0.00 -1.76 -0.13 0.00 -1.16 0.00 0.00 32.46 29.41 2xak n ARG 411 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2xak s ILE 412 N -3.55 3.88 0.31 0.55 -1.09 -1.26 -2.87 121.20 117.16 2xak s ILE 412 Ca 0.42 -0.84 0.06 0.00 -2.23 0.00 0.00 60.65 58.06 2xak s ILE 412 Cb 0.38 -3.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 2xak s ILE 412 CO -0.04 -0.00 0.43 -0.31 -1.23 0.00 0.00 174.94 173.79 2xak s TYR 413 N 1.46 3.19 -0.14 3.97 2.02 0.35 -4.68 117.35 123.54 2xak s TYR 413 Ca 0.01 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 2xak s TYR 413 Cb -0.18 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.53 2xak s TYR 413 CO 0.02 0.13 -0.20 0.42 -1.57 0.00 0.00 175.55 174.35 2xak s ILE 414 N -2.13 1.94 -0.27 2.71 1.09 -1.01 0.43 121.20 123.97 2xak s ILE 414 Ca 0.42 -0.90 -0.04 0.00 -1.10 0.00 0.00 60.65 59.03 2xak s ILE 414 Cb -0.09 -1.73 0.02 0.00 -1.06 0.00 0.00 42.46 39.60 2xak s ILE 414 CO 0.30 0.53 -0.00 -1.58 -0.10 0.00 0.00 174.94 174.09 2xak s GLN 415 N 0.91 2.91 -0.96 2.79 0.74 -0.29 -1.10 119.66 124.66 2xak s GLN 415 Ca -0.05 -0.95 -0.24 0.00 0.05 0.00 0.00 55.36 54.17 2xak s GLN 415 Cb -0.15 -3.15 0.04 0.00 1.10 0.00 0.00 33.01 30.85 2xak s GLN 415 CO -0.03 -0.43 1.43 -0.80 -0.55 0.00 0.00 175.29 174.91 2xak s ASN 416 N 1.39 6.39 0.49 6.67 0.01 0.98 -1.11 114.94 129.76 2xak s ASN 416 Ca 0.01 -1.22 0.28 0.00 -0.71 0.00 0.00 52.86 51.22 2xak s ASN 416 Cb -0.17 -2.57 1.15 0.00 0.41 0.00 0.00 41.25 40.07 2xak s ASN 416 CO -0.01 -1.61 1.91 -0.37 -1.51 0.00 0.00 177.10 175.50 2xak h VAL 417 N 6.66 0.31 -0.12 1.60 -1.51 -1.48 -2.16 116.25 119.55 2xak h VAL 417 Ca 0.10 -0.82 -0.03 0.00 -1.23 0.00 0.00 66.70 64.73 2xak h VAL 417 Cb 1.02 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 2xak h VAL 417 CO 1.39 0.12 -0.03 -2.24 -1.23 0.00 0.00 177.57 175.58 2xak h ASP 418 N 0.00 0.24 -0.59 4.19 3.04 -1.81 -3.01 116.42 118.47 2xak h ASP 418 Ca -0.00 -0.38 0.03 0.00 -3.24 0.00 0.00 57.03 53.45 2xak h ASP 418 Cb 0.62 -0.07 -0.03 0.00 -1.04 0.00 0.00 39.33 38.81 2xak h ASP 418 CO 0.02 0.56 0.39 0.45 -2.04 0.00 0.00 179.24 178.62 2xak h HIS 419 N -0.08 0.67 0.00 4.15 3.86 -1.77 0.13 115.15 122.11 2xak h HIS 419 Ca 0.03 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 2xak h HIS 419 Cb 0.46 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.70 2xak h HIS 419 CO 0.05 0.39 -0.03 0.00 0.86 0.00 0.00 177.93 179.21 2xak n ASN 421 N -3.18 2.94 -0.02 0.00 3.02 -0.22 -4.50 115.26 113.31 2xak n ASN 421 Ca -0.01 -0.18 -0.11 0.00 -0.03 0.00 0.00 54.58 54.25 2xak n ASN 421 Cb 0.23 1.10 -0.14 0.00 -0.61 0.00 0.00 39.78 40.35 2xak n ASN 421 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2xak n THR 422 N -1.44 1.63 -3.68 3.41 -2.24 0.29 -4.54 114.28 107.72 2xak n THR 422 Ca -0.00 -0.77 -0.37 0.00 -2.27 0.00 0.00 64.05 60.63 2xak n THR 422 Cb 0.07 -1.14 -0.09 0.00 -2.10 0.00 0.00 70.33 67.08 2xak n THR 422 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2xak s HIS 423 N -2.59 3.45 -0.18 4.78 5.65 -0.96 -4.85 115.29 120.60 2xak s HIS 423 Ca -0.08 -2.66 -0.28 0.00 0.25 0.00 0.00 55.06 52.29 2xak s HIS 423 Cb 0.08 -3.26 0.08 0.00 -1.18 0.00 0.00 32.58 28.29 2xak s HIS 423 CO 0.81 -0.85 0.75 0.45 -0.65 0.00 0.00 174.74 175.26 2xak s SER 424 N 0.77 -0.66 0.48 9.88 0.15 -1.26 -4.62 113.70 118.44 2xak s SER 424 Ca 0.18 1.03 0.33 0.00 0.70 0.00 0.00 55.95 58.19 2xak s SER 424 Cb -0.19 0.96 1.65 0.00 -1.71 0.00 0.00 66.02 66.73 2xak s SER 424 CO -0.04 -0.39 2.00 1.55 1.20 0.00 0.00 173.24 177.55 2xak h PRO 425 N 3.96 0.00 -6.09 5.44 0.13 -1.89 -3.43 132.00 130.12 2xak h PRO 425 Ca -0.27 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.23 2xak h PRO 425 Cb 1.15 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 2xak h PRO 425 CO 0.21 0.00 -0.56 -0.06 -0.23 0.00 0.00 178.00 177.36 2xak s PHE 426 N -3.76 3.31 -0.44 1.56 0.08 -1.26 0.44 117.98 117.90 2xak s PHE 426 Ca -0.02 0.13 -0.20 0.00 0.12 0.00 0.00 56.93 56.97 2xak s PHE 426 Cb 0.10 -1.66 0.03 0.00 -0.57 0.00 0.00 43.02 40.91 2xak s PHE 426 CO 0.38 0.54 0.58 0.34 -0.10 0.00 0.00 175.22 176.96 2xak s ASP 427 N -2.49 6.27 0.66 1.36 2.15 -0.85 -4.59 116.67 119.19 2xak s ASP 427 Ca 0.31 -0.51 0.44 0.00 0.43 0.00 0.00 52.55 53.23 2xak s ASP 427 Cb -0.12 -2.29 2.41 0.00 -0.30 0.00 0.00 42.92 42.62 2xak s ASP 427 CO 0.24 -0.74 2.36 1.55 -0.17 0.00 0.00 175.17 178.41 2xak h PRO 428 N 8.85 0.00 0.00 4.34 0.13 -1.83 0.39 132.00 143.88 2xak h PRO 428 Ca -0.26 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2xak h PRO 428 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2xak h PRO 428 CO 0.87 0.00 -0.20 0.00 -0.23 0.00 0.00 178.00 178.44 2xak h ALA 429 N 2.00 1.51 0.00 -0.56 0.00 -1.92 -3.31 119.26 116.97 2xak h ALA 429 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2xak h ALA 429 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2xak h ALA 429 CO 0.00 0.25 -1.27 -0.89 0.00 0.00 0.00 179.25 177.34 2xak n ILE 430 N -4.07 0.27 -3.19 0.00 5.41 0.26 -4.92 119.36 113.11 2xak n ILE 430 Ca -0.02 -0.10 -0.22 0.00 1.00 0.00 0.00 62.75 63.40 2xak n ILE 430 Cb 0.27 -0.71 -0.06 0.00 -0.71 0.00 0.00 39.64 38.43 2xak n ILE 430 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2xak n ALA 431 N -2.67 1.99 -1.78 -1.39 0.00 0.11 -5.05 120.51 111.72 2xak n ALA 431 Ca -0.08 -3.01 -0.36 0.00 0.00 0.00 0.00 53.44 49.99 2xak n ALA 431 Cb 0.59 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 19.14 2xak n ALA 431 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2xak s PRO 432 N -0.54 3.79 -0.18 0.00 0.04 -1.25 -4.35 135.00 132.52 2xak s PRO 432 Ca 0.34 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.74 2xak s PRO 432 Cb 0.13 -2.30 -0.02 0.00 0.04 0.00 0.00 34.50 32.35 2xak s PRO 432 CO -0.15 -0.48 0.79 0.08 0.04 0.00 0.00 177.00 177.28 2xak s VAL 433 N -1.70 4.91 0.00 -0.36 1.01 -1.26 -4.22 120.40 118.78 2xak s VAL 433 Ca 0.65 1.53 0.00 0.00 0.00 0.00 0.00 61.98 64.16 2xak s VAL 433 Cb -0.24 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2xak s VAL 433 CO 0.29 0.04 0.65 0.54 0.00 0.00 0.00 175.10 176.61 2xak n ARG 434 N 5.21 1.02 -1.66 2.72 1.74 -1.26 -4.83 116.66 119.60 2xak n ARG 434 Ca 0.03 -0.82 -0.00 0.00 -0.77 0.00 0.00 57.85 56.29 2xak n ARG 434 Cb 0.49 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 2xak n ARG 434 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2xak n GLN 435 N -0.18 0.06 -3.49 5.56 10.64 -1.26 -4.94 117.38 123.77 2xak n GLN 435 Ca 0.00 -0.13 -0.13 0.00 -1.83 0.00 0.00 57.00 54.91 2xak n GLN 435 Cb 0.38 0.18 -0.05 0.00 -0.86 0.00 0.00 30.24 29.89 2xak n GLN 435 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 2xak n SER 436 N -0.63 -0.58 -1.46 2.61 2.88 -1.26 -4.50 113.62 110.69 2xak n SER 436 Ca -0.00 -2.48 0.00 0.00 -1.33 0.00 0.00 58.87 55.06 2xak n SER 436 Cb 0.05 1.28 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 2xak n SER 436 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2xak n ASN 437 N -2.03 0.00 -0.35 -3.46 6.94 -1.22 -4.55 115.26 110.59 2xak n ASN 437 Ca 0.04 -0.42 0.08 0.00 -0.02 0.00 0.00 54.58 54.26 2xak n ASN 437 Cb 0.42 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.08 2xak n ASN 437 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 2xak h LEU 438 N 0.00 0.86 -2.88 -4.53 5.85 -1.88 -3.17 115.31 109.57 2xak h LEU 438 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2xak h LEU 438 Cb 0.00 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2xak h LEU 438 CO 0.00 0.43 0.00 0.00 -0.34 0.00 0.00 178.44 178.53 2xak n LEU 440 N 0.44 -0.65 -0.00 0.00 7.99 -1.20 -4.41 117.00 119.17 2xak n LEU 440 Ca 0.11 0.22 0.06 0.00 -0.01 0.00 0.00 56.01 56.39 2xak n LEU 440 Cb 0.41 -1.52 -0.08 0.00 -0.11 0.00 0.00 43.42 42.12 2xak n LEU 440 CO 0.07 -0.47 -0.26 -1.84 -1.51 0.00 0.00 177.39 173.38 2xak n GLU 441 N -2.72 1.96 -3.66 3.23 0.00 -1.26 -3.98 120.64 114.21 2xak n GLU 441 Ca -0.09 -0.04 -0.37 0.00 0.00 0.00 0.00 57.16 56.66 2xak n GLU 441 Cb 0.30 -1.17 -0.07 0.00 0.00 0.00 0.00 31.44 30.50 2xak n GLU 441 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2xak s ILE 442 N -2.44 5.32 -0.31 3.84 -1.09 -1.26 -0.95 121.20 124.30 2xak s ILE 442 Ca 0.01 0.47 -0.02 0.00 -2.23 0.00 0.00 60.65 58.88 2xak s ILE 442 Cb 0.09 -3.56 0.12 0.00 -1.58 0.00 0.00 42.46 37.53 2xak s ILE 442 CO 0.52 0.52 0.17 0.00 -1.23 0.00 0.00 174.94 174.92 2xak s ALA 443 N -0.41 0.56 0.07 9.38 0.00 -1.26 -3.43 121.76 126.66 2xak s ALA 443 Ca 0.17 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.94 2xak s ALA 443 Cb -0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2xak s ALA 443 CO 0.06 -1.79 -0.08 -0.51 0.00 0.00 0.00 175.76 173.44 2xak s LEU 444 N 1.84 2.35 0.47 0.00 1.43 -1.26 -4.82 118.68 118.68 2xak s LEU 444 Ca 0.12 -0.72 -0.23 0.00 -1.03 0.00 0.00 54.13 52.27 2xak s LEU 444 Cb -0.18 -0.17 -0.07 0.00 0.03 0.00 0.00 46.19 45.80 2xak s LEU 444 CO -0.26 -0.28 1.16 -2.84 0.23 0.00 0.00 176.35 174.37 2xak s PRO 445 N -2.39 3.72 0.06 1.29 0.02 -1.26 -4.46 135.00 131.98 2xak s PRO 445 Ca -0.01 1.77 -0.03 0.00 0.02 0.00 0.00 61.00 62.74 2xak s PRO 445 Cb -0.05 -2.37 -0.03 0.00 0.02 0.00 0.00 34.50 32.07 2xak s PRO 445 CO -0.01 -0.58 0.03 0.95 -0.33 0.00 0.00 177.00 177.06 2xak s THR 446 N -1.56 0.19 -0.03 0.99 -4.23 -1.26 -4.36 115.64 105.38 2xak s THR 446 Ca 0.64 -1.58 -0.01 0.00 -1.18 0.00 0.00 61.69 59.56 2xak s THR 446 Cb -0.28 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.19 2xak s THR 446 CO 0.34 -0.87 0.06 -0.75 -0.54 0.00 0.00 174.62 172.86 2xak s LYS 447 N -3.73 0.03 0.32 3.99 2.20 -0.47 -4.92 119.74 117.15 2xak s LYS 447 Ca 0.05 0.16 -0.29 0.00 -0.36 0.00 0.00 55.97 55.54 2xak s LYS 447 Cb 0.06 -0.11 -0.12 0.00 -1.51 0.00 0.00 37.83 36.15 2xak s LYS 447 CO -0.10 -0.09 1.34 -2.30 -0.36 0.00 0.00 175.35 173.84 2xak n PRO 448 N 3.66 2.17 -1.83 4.03 -0.02 -1.25 -1.58 135.00 140.18 2xak n PRO 448 Ca -0.20 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 61.74 2xak n PRO 448 Cb 0.55 -2.38 0.22 0.00 -0.02 0.00 0.00 33.50 31.87 2xak n PRO 448 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2xak s LEU 449 N -0.81 2.48 0.00 2.45 1.02 -1.26 -4.44 118.68 118.12 2xak s LEU 449 Ca 0.58 0.18 0.00 0.00 0.02 0.00 0.00 54.13 54.92 2xak s LEU 449 Cb -0.58 -2.08 0.00 0.00 0.02 0.00 0.00 46.19 43.56 2xak s LEU 449 CO 0.59 -3.12 0.00 -3.20 0.02 0.00 0.00 176.35 170.64 2xak n ASN 450 N -4.01 0.00 -3.64 2.29 5.15 -1.26 -4.50 115.26 109.29 2xak n ASN 450 Ca 0.17 -0.40 -0.02 0.00 -0.60 0.00 0.00 54.58 53.72 2xak n ASN 450 Cb 0.59 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.79 2xak n ASN 450 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2xak s ASP 451 N 0.00 -0.04 0.37 1.20 -1.08 -1.26 -4.52 116.67 111.33 2xak s ASP 451 Ca 0.00 0.06 0.15 0.00 -0.52 0.00 0.00 52.55 52.24 2xak s ASP 451 Cb 0.00 0.05 1.03 0.00 -1.46 0.00 0.00 42.92 42.54 2xak s ASP 451 CO 0.00 -0.03 1.75 -0.37 0.52 0.00 0.00 175.17 177.03 2xak h VAL 452 N 2.31 0.51 -0.74 1.11 -1.51 -1.90 -0.01 116.25 116.03 2xak h VAL 452 Ca -0.13 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 2xak h VAL 452 Cb 1.19 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 2xak h VAL 452 CO 0.21 0.08 0.00 0.59 -1.23 0.00 0.00 177.57 177.23 2xak n ASN 453 N -4.74 3.94 -4.51 4.19 3.02 -1.26 -4.47 115.26 111.44 2xak n ASN 453 Ca 0.26 -2.01 -0.52 0.00 -0.03 0.00 0.00 54.58 52.29 2xak n ASN 453 Cb 0.84 -0.49 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 2xak n ASN 453 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2xak n ASP 454 N 1.65 2.29 0.25 6.41 2.03 -0.02 -4.80 116.55 124.35 2xak n ASP 454 Ca 0.25 0.57 0.11 0.00 0.52 0.00 0.00 54.79 56.24 2xak n ASP 454 Cb 0.62 -1.25 0.66 0.00 -0.72 0.00 0.00 41.12 40.43 2xak n ASP 454 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2xak h GLU 455 N 11.23 0.00 -0.25 -0.67 4.39 -1.93 -2.82 114.58 124.54 2xak h GLU 455 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2xak h GLU 455 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 2xak h GLU 455 CO 1.00 0.15 0.00 0.09 -1.16 0.00 0.00 179.01 179.10 2xak n ASN 456 N -3.66 2.19 -4.86 1.42 3.02 -1.26 -4.86 115.26 107.26 2xak n ASN 456 Ca -0.02 -1.82 -0.31 0.00 -0.03 0.00 0.00 54.58 52.41 2xak n ASN 456 Cb 0.27 -0.16 0.04 0.00 -0.61 0.00 0.00 39.78 39.32 2xak n ASN 456 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2xak s GLY 457 N -1.49 1.64 -0.14 7.41 0.00 -1.06 -4.91 107.32 108.77 2xak s GLY 457 Ca 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.82 2xak s GLY 457 CO 0.27 0.14 0.12 1.85 0.00 0.00 0.00 173.10 175.48 2xak s GLU 458 N -5.24 0.06 -0.22 2.90 2.12 -0.61 -4.60 118.70 113.11 2xak s GLU 458 Ca 0.57 0.13 -0.09 0.00 0.36 0.00 0.00 54.97 55.94 2xak s GLU 458 Cb -0.12 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 32.94 2xak s GLU 458 CO 0.53 -0.56 0.11 0.42 -0.54 0.00 0.00 175.26 175.22 2xak s ILE 459 N 2.20 5.07 0.03 -3.70 1.01 -0.44 -1.37 121.20 123.99 2xak s ILE 459 Ca 0.04 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 2xak s ILE 459 Cb -0.15 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 2xak s ILE 459 CO -0.08 0.40 0.95 0.00 0.00 0.00 0.00 174.94 176.20 2xak s ALA 460 N 0.78 3.21 0.18 9.38 0.00 -0.67 -4.22 121.76 130.40 2xak s ALA 460 Ca 0.06 0.51 0.10 0.00 0.00 0.00 0.00 51.96 52.63 2xak s ALA 460 Cb -0.13 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 2xak s ALA 460 CO 0.02 -0.15 -0.17 -0.51 0.00 0.00 0.00 175.76 174.95 2xak s LEU 461 N 0.65 2.68 0.04 0.00 1.43 -1.26 0.62 118.68 122.85 2xak s LEU 461 Ca 0.49 -0.71 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2xak s LEU 461 Cb -0.21 -1.42 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2xak s LEU 461 CO 0.28 0.12 -0.11 0.00 0.23 0.00 0.00 176.35 176.87 2xak s THR 463 N -1.03 3.24 0.27 0.00 2.01 -1.25 -4.61 115.64 114.26 2xak s THR 463 Ca -0.03 -0.58 0.11 0.00 0.31 0.00 0.00 61.69 61.50 2xak s THR 463 Cb -0.08 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 2xak s THR 463 CO 0.01 0.49 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 2xak s LEU 464 N 0.67 2.79 0.00 4.42 1.43 -1.26 -1.15 118.68 125.58 2xak s LEU 464 Ca -0.05 -0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 51.97 2xak s LEU 464 Cb -0.15 -1.31 0.06 0.00 0.03 0.00 0.00 46.19 44.82 2xak s LEU 464 CO 0.02 0.03 0.85 -1.20 0.23 0.00 0.00 176.35 176.28 2xak n SER 465 N -0.68 -1.28 -3.65 2.29 7.64 -1.12 -4.35 113.62 112.47 2xak n SER 465 Ca -0.06 -1.61 -0.15 0.00 1.01 0.00 0.00 58.87 58.07 2xak n SER 465 Cb 0.60 2.06 -0.08 0.00 -1.01 0.00 0.00 64.21 65.78 2xak n SER 465 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xak s ALA 466 N -1.81 -1.31 0.17 -0.43 0.00 -0.86 -0.28 121.76 117.25 2xak s ALA 466 Ca 0.19 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 2xak s ALA 466 Cb -0.02 -0.27 -0.08 0.00 0.00 0.00 0.00 23.12 22.76 2xak s ALA 466 CO 0.03 -0.30 0.75 -0.06 0.00 0.00 0.00 175.76 176.18 2xak s PHE 467 N -0.75 3.83 -0.62 0.00 0.08 0.13 -1.24 117.98 119.41 2xak s PHE 467 Ca -0.08 1.55 -0.20 0.00 0.12 0.00 0.00 56.93 58.32 2xak s PHE 467 Cb -0.03 -2.71 0.10 0.00 -0.57 0.00 0.00 43.02 39.81 2xak s PHE 467 CO 0.05 0.47 0.78 1.21 -0.10 0.00 0.00 175.22 177.63 2xak s ASN 468 N -1.27 6.20 0.16 1.36 3.84 -0.83 -0.83 114.94 123.57 2xak s ASN 468 Ca 0.37 -1.36 0.16 0.00 0.21 0.00 0.00 52.86 52.24 2xak s ASN 468 Cb -0.21 -2.33 0.74 0.00 -0.55 0.00 0.00 41.25 38.90 2xak s ASN 468 CO 0.24 -1.19 1.49 0.18 -2.79 0.00 0.00 177.10 175.04 2xak n LEU 469 N 6.63 0.35 -0.05 3.21 4.77 -1.02 -1.80 117.00 129.08 2xak n LEU 469 Ca -0.07 0.62 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 2xak n LEU 469 Cb 0.43 -0.61 0.11 0.00 -2.33 0.00 0.00 43.42 41.02 2xak n LEU 469 CO 0.59 -0.58 0.28 0.61 -1.33 0.00 0.00 177.39 176.96 2xak n GLY 470 N -0.65 -1.02 0.38 -0.72 0.00 -1.26 -4.22 105.19 97.70 2xak n GLY 470 Ca 0.01 -0.47 0.08 0.00 0.00 0.00 0.00 46.02 45.65 2xak n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xak n ALA 471 N -1.33 3.18 -2.83 4.61 0.00 -0.75 -4.94 120.51 118.46 2xak n ALA 471 Ca 0.06 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.59 2xak n ALA 471 Cb 0.34 -0.58 -0.07 0.00 0.00 0.00 0.00 19.45 19.14 2xak n ALA 471 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2xak s ILE 472 N -1.92 5.22 -0.00 0.00 -4.36 -1.23 -4.94 121.20 113.98 2xak s ILE 472 Ca 0.14 0.10 0.11 0.00 -0.26 0.00 0.00 60.65 60.74 2xak s ILE 472 Cb 0.13 -3.27 -0.12 0.00 1.25 0.00 0.00 42.46 40.46 2xak s ILE 472 CO 0.41 0.60 1.25 0.78 0.24 0.00 0.00 174.94 178.22 2xak h ASN 473 N 5.18 0.00 -5.01 4.36 2.35 -1.92 -3.48 115.58 117.06 2xak h ASN 473 Ca -0.53 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.23 2xak h ASN 473 Cb 1.21 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 39.49 2xak h ASN 473 CO 0.59 0.81 0.19 0.54 -1.65 0.00 0.00 177.43 177.90 2xak s ASN 474 N -6.51 -0.42 0.39 5.81 2.20 -1.26 -5.05 114.94 110.09 2xak s ASN 474 Ca 0.01 -0.26 0.28 0.00 -0.94 0.00 0.00 52.86 51.95 2xak s ASN 474 Cb 0.09 0.64 1.33 0.00 -2.00 0.00 0.00 41.25 41.31 2xak s ASN 474 CO 0.80 -1.10 1.84 -0.07 -2.94 0.00 0.00 177.10 175.63 2xak h LEU 475 N 2.03 0.00 -0.10 3.54 3.38 -2.01 -1.99 115.31 120.17 2xak h LEU 475 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2xak h LEU 475 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 2xak h LEU 475 CO 0.33 0.00 -0.25 0.47 0.09 0.00 0.00 178.44 179.09 2xak n ASP 476 N -2.52 0.39 0.31 -0.43 8.00 -1.26 -2.46 116.55 118.58 2xak n ASP 476 Ca -0.00 -0.17 0.20 0.00 0.71 0.00 0.00 54.79 55.53 2xak n ASP 476 Cb 0.16 -0.05 0.96 0.00 -0.02 0.00 0.00 41.12 42.17 2xak n ASP 476 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2xak h GLU 477 N 0.23 0.00 0.00 -1.24 5.08 -1.79 -2.83 114.58 114.03 2xak h GLU 477 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2xak h GLU 477 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2xak h GLU 477 CO 0.00 0.01 0.00 -0.07 -1.00 0.00 0.00 179.01 177.95 2xak h LEU 478 N 0.00 0.00 0.73 1.33 3.38 -1.68 -2.81 115.31 116.27 2xak h LEU 478 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2xak h LEU 478 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 2xak h LEU 478 CO 0.00 0.00 -0.35 -0.08 0.09 0.00 0.00 178.44 178.10 2xak h GLU 479 N 0.00 -0.95 -0.51 1.13 4.81 -1.72 -0.43 114.58 116.91 2xak h GLU 479 Ca 0.00 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2xak h GLU 479 Cb 0.28 0.22 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2xak h GLU 479 CO 0.00 -0.61 0.27 0.93 -0.73 0.00 0.00 179.01 178.87 2xak h GLU 480 N -1.07 0.52 -0.44 1.92 3.07 -1.74 -2.63 114.58 114.21 2xak h GLU 480 Ca -0.10 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.70 2xak h GLU 480 Cb 0.77 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 2xak h GLU 480 CO 0.17 0.34 0.15 -0.07 -1.40 0.00 0.00 179.01 178.20 2xak h LEU 481 N 0.54 0.62 -0.43 1.33 3.38 -1.47 -1.45 115.31 117.82 2xak h LEU 481 Ca 0.22 -0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2xak h LEU 481 Cb 0.10 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.61 2xak h LEU 481 CO -0.14 0.65 -0.08 0.00 0.09 0.00 0.00 178.44 178.96 2xak h ALA 482 N 1.00 0.32 0.16 1.53 0.00 -0.93 0.81 119.26 122.14 2xak h ALA 482 Ca 0.14 0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2xak h ALA 482 Cb 0.24 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2xak h ALA 482 CO -0.01 -0.44 -0.22 0.82 0.00 0.00 0.00 179.25 179.41 2xak h ILE 483 N 0.03 0.52 -0.25 0.00 2.04 -1.06 -0.29 117.51 118.50 2xak h ILE 483 Ca 0.21 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.09 2xak h ILE 483 Cb 0.32 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 2xak h ILE 483 CO -0.42 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 177.75 2xak h LEU 484 N -0.44 0.13 -0.43 1.44 -0.00 -0.98 -1.94 115.31 113.09 2xak h LEU 484 Ca 0.01 0.02 -0.06 0.00 -0.00 0.00 0.00 57.88 57.85 2xak h LEU 484 Cb 0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.08 2xak h LEU 484 CO -0.09 0.10 0.04 0.00 -0.00 0.00 0.00 178.44 178.49 2xak h ALA 485 N 1.15 0.58 -0.35 1.53 0.00 -0.72 -1.78 119.26 119.66 2xak h ALA 485 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2xak h ALA 485 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2xak h ALA 485 CO -0.10 0.33 -0.01 0.28 0.00 0.00 0.00 179.25 179.76 2xak h VAL 486 N 0.59 1.26 -0.52 0.00 2.07 -1.00 -2.57 116.25 116.08 2xak h VAL 486 Ca 0.13 -1.00 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 2xak h VAL 486 Cb 0.43 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2xak h VAL 486 CO 0.02 0.33 -0.14 0.03 0.02 0.00 0.00 177.57 177.83 2xak h ARG 487 N 0.44 1.02 0.13 1.57 3.08 -1.34 -0.49 114.38 118.78 2xak h ARG 487 Ca 0.10 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 2xak h ARG 487 Cb 0.48 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2xak h ARG 487 CO 0.02 1.08 -0.06 0.00 -1.07 0.00 0.00 179.97 179.94 2xak h ALA 488 N 0.91 -0.17 -0.24 0.04 0.00 -1.31 -0.98 119.26 117.50 2xak h ALA 488 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2xak h ALA 488 Cb 0.71 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2xak h ALA 488 CO 0.05 -0.53 -0.15 -0.07 0.00 0.00 0.00 179.25 178.54 2xak h LEU 489 N -0.30 0.40 -0.73 0.00 3.38 -1.48 -1.34 115.31 115.24 2xak h LEU 489 Ca -0.02 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 2xak h LEU 489 Cb 0.24 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2xak h LEU 489 CO 0.03 0.58 -0.37 -0.78 0.09 0.00 0.00 178.44 177.99 2xak h ASP 490 N 0.38 0.57 -0.39 -0.43 3.58 -0.90 -2.15 116.42 117.08 2xak h ASP 490 Ca 0.07 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2xak h ASP 490 Cb 0.50 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2xak h ASP 490 CO 0.03 0.89 0.15 0.00 -2.88 0.00 0.00 179.24 177.43 2xak h ALA 491 N 1.14 0.51 -0.99 -0.78 0.00 -0.91 -3.00 119.26 115.22 2xak h ALA 491 Ca 0.05 -0.14 0.19 0.00 0.00 0.00 0.00 54.91 55.01 2xak h ALA 491 Cb 0.85 -0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.39 2xak h ALA 491 CO 0.07 0.11 0.61 1.25 0.00 0.00 0.00 179.25 181.30 2xak h LEU 492 N 0.48 0.72 -0.65 0.00 5.85 -0.85 -0.95 115.31 119.92 2xak h LEU 492 Ca 0.13 0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.99 2xak h LEU 492 Cb 0.20 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2xak h LEU 492 CO -0.01 0.26 0.37 -0.07 -0.34 0.00 0.00 178.44 178.65 2xak h LEU 493 N 0.70 0.56 -0.40 2.25 3.38 -1.25 -0.47 115.31 120.08 2xak h LEU 493 Ca 0.56 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 58.44 2xak h LEU 493 Cb 0.95 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 2xak h LEU 493 CO -0.34 0.37 -0.52 0.44 0.09 0.00 0.00 178.44 178.48 2xak h ASP 494 N 0.69 0.00 -0.04 -0.43 3.32 -1.40 -3.33 116.42 115.24 2xak h ASP 494 Ca 0.29 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 57.10 2xak h ASP 494 Cb 0.15 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.72 2xak h ASP 494 CO -0.17 0.52 -0.90 0.22 -1.72 0.00 0.00 179.24 177.20 2xak h TYR 495 N 0.00 1.01 -4.12 4.55 3.20 -0.23 -3.47 116.97 117.92 2xak h TYR 495 Ca -0.01 -0.50 -0.46 0.00 3.14 0.00 0.00 58.73 60.91 2xak h TYR 495 Cb 1.23 -0.14 0.10 0.00 1.54 0.00 0.00 36.73 39.47 2xak h TYR 495 CO 0.00 1.33 0.34 1.14 -1.64 0.00 0.00 178.16 179.32 2xak s GLN 496 N -3.54 1.81 0.27 1.82 -2.07 -0.28 -4.99 119.66 112.69 2xak s GLN 496 Ca -0.10 -0.15 0.07 0.00 -1.82 0.00 0.00 55.36 53.36 2xak s GLN 496 Cb 0.08 -2.03 -0.03 0.00 -1.09 0.00 0.00 33.01 29.94 2xak s GLN 496 CO 0.91 -1.60 0.28 -0.51 -1.32 0.00 0.00 175.29 173.05 2xak s ASP 497 N -4.62 5.72 -0.23 12.60 1.01 -0.43 -5.00 116.67 125.73 2xak s ASP 497 Ca 0.63 -0.21 -0.02 0.00 0.71 0.00 0.00 52.55 53.67 2xak s ASP 497 Cb -0.09 -1.42 0.07 0.00 1.01 0.00 0.00 42.92 42.48 2xak s ASP 497 CO 0.48 -0.14 0.04 -0.31 0.21 0.00 0.00 175.17 175.45 2xak s TYR 498 N -2.13 1.38 0.27 4.23 2.02 -1.26 -4.87 117.35 116.99 2xak s TYR 498 Ca 0.36 -1.20 0.17 0.00 -0.37 0.00 0.00 57.07 56.03 2xak s TYR 498 Cb -0.08 -1.27 0.76 0.00 -0.40 0.00 0.00 41.96 40.97 2xak s TYR 498 CO 0.27 -0.70 1.79 -1.00 -1.57 0.00 0.00 175.55 174.34 2xak h PRO 499 N 8.17 0.00 -5.01 -1.71 0.13 -1.99 -3.43 132.00 128.16 2xak h PRO 499 Ca -0.16 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.31 2xak h PRO 499 Cb 1.09 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.90 2xak h PRO 499 CO 0.38 0.37 -0.78 0.42 -0.23 0.00 0.00 178.00 178.16 2xak s ILE 500 N -3.85 2.76 0.31 -3.56 -1.09 -1.26 -5.01 121.20 109.51 2xak s ILE 500 Ca -0.01 -0.74 0.03 0.00 -2.23 0.00 0.00 60.65 57.71 2xak s ILE 500 Cb 0.12 -2.24 0.39 0.00 -1.58 0.00 0.00 42.46 39.16 2xak s ILE 500 CO 0.69 0.45 1.58 -0.65 -1.23 0.00 0.00 174.94 175.78 2xak h PRO 501 N 8.03 0.03 0.00 2.79 0.11 -1.83 -0.33 132.00 140.80 2xak h PRO 501 Ca -0.43 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 2xak h PRO 501 Cb 1.15 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2xak h PRO 501 CO 0.62 0.02 -0.12 0.00 -0.21 0.00 0.00 178.00 178.31 2xak h ALA 502 N 1.96 1.43 0.09 -0.75 0.00 -1.82 -1.54 119.26 118.63 2xak h ALA 502 Ca 0.61 -0.11 -0.26 0.00 0.00 0.00 0.00 54.91 55.16 2xak h ALA 502 Cb 1.31 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.08 2xak h ALA 502 CO -0.88 0.15 -1.14 0.00 0.00 0.00 0.00 179.25 177.38 2xak h ALA 503 N 1.88 0.19 -0.49 0.00 0.00 -1.24 -1.13 119.26 118.48 2xak h ALA 503 Ca -0.00 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.06 2xak h ALA 503 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2xak h ALA 503 CO 0.02 0.90 0.18 -0.22 0.00 0.00 0.00 179.25 180.13 2xak h LYS 504 N 0.14 0.74 -0.45 0.00 3.64 -0.98 -1.49 116.57 118.17 2xak h LYS 504 Ca -0.12 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.19 2xak h LYS 504 Cb 1.83 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.47 2xak h LYS 504 CO 0.19 0.67 0.10 0.00 -2.27 0.00 0.00 179.45 178.14 2xak h ARG 505 N 0.65 0.23 0.14 1.90 3.08 -1.36 0.33 114.38 119.35 2xak h ARG 505 Ca 0.16 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2xak h ARG 505 Cb 0.21 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2xak h ARG 505 CO -0.01 0.15 -0.07 0.78 -1.07 0.00 0.00 179.97 179.75 2xak h GLY 506 N 0.23 -0.20 1.12 0.04 0.00 -1.33 -1.13 103.07 101.79 2xak h GLY 506 Ca 0.22 0.07 -0.10 0.00 0.00 0.00 0.00 47.33 47.52 2xak h GLY 506 CO -0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 176.54 176.16 2xak h ALA 507 N 0.63 0.84 0.00 3.60 0.00 -0.94 -2.43 119.26 120.96 2xak h ALA 507 Ca -0.02 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.50 2xak h ALA 507 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2xak h ALA 507 CO 0.03 0.67 -0.35 0.52 0.00 0.00 0.00 179.25 180.12 2xak h MET 508 N 0.95 0.00 0.06 0.00 2.07 -0.36 -1.44 114.93 116.21 2xak h MET 508 Ca 0.16 0.00 -0.28 0.00 -2.07 0.00 0.00 59.70 57.51 2xak h MET 508 Cb 0.58 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.29 2xak h MET 508 CO 0.03 0.35 -1.46 0.78 1.07 0.00 0.00 176.91 177.68 2xak h GLY 509 N 3.64 0.15 0.00 8.32 0.00 -1.07 -3.40 103.07 110.71 2xak h GLY 509 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2xak h GLY 509 CO 0.04 0.34 -0.38 0.54 0.00 0.00 0.00 176.54 177.08 2xak n ARG 510 N -3.33 3.47 -4.08 4.80 1.74 -0.93 -0.22 116.66 118.10 2xak n ARG 510 Ca -0.13 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.64 2xak n ARG 510 Cb 1.02 -0.64 -0.04 0.00 -1.02 0.00 0.00 32.46 31.79 2xak n ARG 510 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2xak n ARG 511 N -0.98 -1.74 -2.74 5.56 1.74 -0.54 -0.52 116.66 117.43 2xak n ARG 511 Ca 0.00 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.90 2xak n ARG 511 Cb 0.00 -3.83 -0.03 0.00 -1.02 0.00 0.00 32.46 27.58 2xak n ARG 511 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2xak s THR 512 N -4.01 4.80 0.25 0.55 -4.23 -1.26 -3.99 115.64 107.75 2xak s THR 512 Ca 0.12 2.01 0.10 0.00 -1.18 0.00 0.00 61.69 62.75 2xak s THR 512 Cb -0.06 -4.30 -0.04 0.00 1.34 0.00 0.00 72.50 69.44 2xak s THR 512 CO 0.94 0.21 -0.08 -0.76 -0.54 0.00 0.00 174.62 174.39 2xak s LEU 513 N 0.75 2.97 -0.33 4.79 1.43 -0.41 -3.79 118.68 124.09 2xak s LEU 513 Ca 0.50 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 2xak s LEU 513 Cb -0.21 -1.52 0.12 0.00 0.03 0.00 0.00 46.19 44.61 2xak s LEU 513 CO 0.28 0.03 0.17 -0.83 0.23 0.00 0.00 176.35 176.23 2xak s GLY 514 N -3.46 0.71 -0.17 -3.19 0.00 -0.30 -3.49 107.32 97.42 2xak s GLY 514 Ca 0.30 -1.53 -0.07 0.00 0.00 0.00 0.00 44.72 43.42 2xak s GLY 514 CO 0.17 2.06 0.04 -0.42 0.00 0.00 0.00 173.10 174.96 2xak s ILE 515 N 1.52 4.64 0.00 0.90 1.01 0.62 -2.78 121.20 127.11 2xak s ILE 515 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2xak s ILE 515 Cb -0.20 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.19 2xak s ILE 515 CO -0.16 0.47 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2xak n GLY 516 N 3.48 5.54 3.15 6.18 0.00 0.62 -1.62 105.19 122.54 2xak n GLY 516 Ca -0.17 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 2xak n GLY 516 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2xak s VAL 517 N 1.56 0.68 0.28 1.61 -7.23 -1.26 0.20 120.40 116.23 2xak s VAL 517 Ca 0.00 -1.77 0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2xak s VAL 517 Cb 0.00 -1.47 -0.06 0.00 0.56 0.00 0.00 36.38 35.41 2xak s VAL 517 CO 0.00 -0.77 -0.05 0.27 -0.31 0.00 0.00 175.10 174.24 2xak s ILE 518 N -3.16 1.59 -0.66 -0.62 -4.36 -0.01 -4.24 121.20 109.74 2xak s ILE 518 Ca 0.08 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2xak s ILE 518 Cb 0.02 -2.45 0.00 0.00 1.25 0.00 0.00 42.46 41.28 2xak s ILE 518 CO -0.04 -0.29 0.00 0.59 0.24 0.00 0.00 174.94 175.44 2xak n ASN 519 N -0.58 -3.25 0.01 4.36 3.02 -0.13 -2.45 115.26 116.25 2xak n ASN 519 Ca -0.05 0.09 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 2xak n ASN 519 Cb 0.63 -1.95 -0.08 0.00 -0.61 0.00 0.00 39.78 37.78 2xak n ASN 519 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2xak h PHE 520 N 0.00 0.03 -0.78 3.10 3.57 -1.71 -1.72 116.94 119.43 2xak h PHE 520 Ca -0.15 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.45 2xak h PHE 520 Cb 0.77 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.43 2xak h PHE 520 CO 0.19 0.22 0.41 0.00 -2.23 0.00 0.00 178.31 176.89 2xak h ALA 521 N 0.81 1.11 -0.00 2.41 0.00 -1.81 0.39 119.26 122.16 2xak h ALA 521 Ca 0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2xak h ALA 521 Cb 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2xak h ALA 521 CO -0.00 -0.02 0.00 -0.92 0.00 0.00 0.00 179.25 178.31 2xak h TYR 522 N 0.66 0.00 -0.61 0.00 3.20 -1.90 0.61 116.97 118.92 2xak h TYR 522 Ca 0.39 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.33 2xak h TYR 522 Cb 0.45 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.63 2xak h TYR 522 CO -0.09 0.28 -0.54 -0.92 -1.64 0.00 0.00 178.16 175.25 2xak h TYR 523 N -0.28 -1.69 -0.56 -3.82 3.20 -0.82 0.63 116.97 113.64 2xak h TYR 523 Ca 0.00 0.10 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2xak h TYR 523 Cb 0.28 0.82 -0.08 0.00 1.54 0.00 0.00 36.73 39.29 2xak h TYR 523 CO 0.02 -0.42 0.13 -0.07 -1.64 0.00 0.00 178.16 176.18 2xak h LEU 524 N -0.22 0.03 0.00 2.82 3.38 -0.13 -2.33 115.31 118.86 2xak h LEU 524 Ca 0.10 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2xak h LEU 524 Cb 0.49 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2xak h LEU 524 CO -0.70 0.03 -0.08 0.00 0.09 0.00 0.00 178.44 177.79 2xak h ALA 525 N 1.43 -0.08 0.00 1.53 0.00 -0.17 -1.23 119.26 120.74 2xak h ALA 525 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2xak h ALA 525 Cb 0.40 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2xak h ALA 525 CO -0.36 -0.57 0.00 0.36 0.00 0.00 0.00 179.25 178.68 2xak n LYS 526 N -5.20 0.05 -0.47 0.00 2.85 0.15 -0.73 118.16 114.81 2xak n LYS 526 Ca -0.06 0.21 0.11 0.00 -1.05 0.00 0.00 58.31 57.52 2xak n LYS 526 Cb 0.13 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.34 2xak n LYS 526 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2xak n HIS 527 N -1.45 1.19 -2.98 5.58 8.25 -0.89 -4.97 115.22 119.95 2xak n HIS 527 Ca 0.05 -0.53 -0.19 0.00 -0.26 0.00 0.00 57.72 56.78 2xak n HIS 527 Cb 0.17 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.21 2xak n HIS 527 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xak n GLY 528 N 1.45 -0.33 3.68 -1.41 0.00 0.10 -5.02 105.19 103.65 2xak n GLY 528 Ca 0.25 0.01 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 2xak n GLY 528 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2xak s LYS 529 N -5.61 2.15 0.21 1.61 -0.14 -0.52 -5.03 119.74 112.42 2xak s LYS 529 Ca 0.29 -1.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.14 2xak s LYS 529 Cb -0.13 -1.95 -0.05 0.00 -1.68 0.00 0.00 37.83 34.02 2xak s LYS 529 CO 0.36 0.03 0.01 1.03 -0.76 0.00 0.00 175.35 176.02 2xak s ARG 530 N -3.80 1.26 -0.06 1.68 0.52 -1.26 -4.23 118.95 113.07 2xak s ARG 530 Ca 0.37 -1.63 -0.23 0.00 -0.52 0.00 0.00 55.73 53.72 2xak s ARG 530 Cb 0.02 -0.47 -0.28 0.00 0.52 0.00 0.00 34.95 34.75 2xak s ARG 530 CO 0.21 -0.12 0.93 1.88 0.02 0.00 0.00 175.30 178.22 2xak h TYR 531 N 2.54 0.39 0.00 -0.53 -1.99 -1.93 -3.29 116.97 112.17 2xak h TYR 531 Ca -0.38 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.09 2xak h TYR 531 Cb 1.22 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.92 2xak h TYR 531 CO 0.55 1.15 -0.02 -1.13 -0.00 0.00 0.00 178.16 178.72 2xak n SER 532 N -4.31 0.29 -0.18 3.88 3.41 -1.26 -3.36 113.62 112.09 2xak n SER 532 Ca -0.12 0.50 0.03 0.00 -0.26 0.00 0.00 58.87 59.03 2xak n SER 532 Cb 0.67 -0.57 0.05 0.00 -0.26 0.00 0.00 64.21 64.09 2xak n SER 532 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2xak n ASP 533 N -1.76 1.16 0.00 4.04 5.75 -1.26 -3.78 116.55 120.69 2xak n ASP 533 Ca 0.06 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.64 2xak n ASP 533 Cb 0.37 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2xak n ASP 533 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2xak n GLY 534 N -0.58 0.58 0.23 6.12 0.00 -1.26 -4.88 105.19 105.41 2xak n GLY 534 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 2xak n GLY 534 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xak h SER 535 N 0.00 0.00 -0.04 1.61 4.64 -1.88 -3.13 113.55 114.74 2xak h SER 535 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2xak h SER 535 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2xak h SER 535 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2xak n ALA 536 N -2.00 2.46 -0.04 5.18 0.00 -1.24 -4.70 120.51 120.17 2xak n ALA 536 Ca 0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 53.44 52.72 2xak n ALA 536 Cb 0.31 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.17 2xak n ALA 536 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2xak h ASN 537 N 3.31 -0.71 -0.26 0.00 4.21 -1.88 -0.01 115.58 120.25 2xak h ASN 537 Ca 0.00 0.13 -0.17 0.00 1.21 0.00 0.00 56.30 57.47 2xak h ASN 537 Cb 0.71 0.34 0.00 0.00 -1.12 0.00 0.00 38.32 38.25 2xak h ASN 537 CO 0.00 -0.26 -0.50 0.78 -1.29 0.00 0.00 177.43 176.16 2xak h ASN 538 N -0.23 0.89 -0.45 5.81 2.35 -1.84 -1.67 115.58 120.44 2xak h ASN 538 Ca 0.13 -0.54 0.04 0.00 -0.55 0.00 0.00 56.30 55.38 2xak h ASN 538 Cb 0.43 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 2xak h ASN 538 CO -0.36 1.26 0.22 0.25 -1.65 0.00 0.00 177.43 177.15 2xak h LEU 539 N 0.55 0.32 -0.74 1.61 5.85 -1.83 0.77 115.31 121.85 2xak h LEU 539 Ca 0.01 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.79 2xak h LEU 539 Cb 1.11 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 2xak h LEU 539 CO 0.11 0.23 0.46 0.74 -0.34 0.00 0.00 178.44 179.64 2xak h THR 540 N 0.45 1.08 0.23 1.05 2.02 -0.83 -0.47 112.91 116.44 2xak h THR 540 Ca 0.20 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2xak h THR 540 Cb 0.11 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.64 2xak h THR 540 CO -0.14 0.16 -0.11 -0.74 0.37 0.00 0.00 175.52 175.06 2xak h HIS 541 N 0.88 -0.29 -0.78 3.16 -0.00 -0.64 -1.27 115.15 116.22 2xak h HIS 541 Ca 0.30 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.84 2xak h HIS 541 Cb 0.06 0.10 -0.11 0.00 -0.00 0.00 0.00 27.41 27.45 2xak h HIS 541 CO -0.04 -0.11 0.26 -0.22 -0.00 0.00 0.00 177.93 177.81 2xak h LYS 542 N -0.40 0.33 -0.01 5.26 3.64 -0.56 -1.16 116.57 123.67 2xak h LYS 542 Ca -0.03 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.14 2xak h LYS 542 Cb 0.31 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2xak h LYS 542 CO 0.05 0.22 -0.73 1.15 -2.27 0.00 0.00 179.45 177.87 2xak h THR 543 N 0.34 1.37 0.00 1.00 2.02 -0.85 -2.42 112.91 114.38 2xak h THR 543 Ca 0.45 -2.10 -0.05 0.00 0.77 0.00 0.00 66.41 65.48 2xak h THR 543 Cb 0.77 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 2xak h THR 543 CO -0.49 0.63 -0.42 -0.26 0.37 0.00 0.00 175.52 175.35 2xak h PHE 544 N 0.09 0.00 0.63 3.16 0.04 -1.10 -1.02 116.94 118.74 2xak h PHE 544 Ca -0.09 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.65 2xak h PHE 544 Cb 1.42 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.58 2xak h PHE 544 CO 0.13 0.20 -0.30 1.49 -0.60 0.00 0.00 178.31 179.23 2xak h GLU 545 N 0.00 -0.82 -0.85 1.51 4.81 -1.25 -1.83 114.58 116.15 2xak h GLU 545 Ca -0.01 0.06 0.19 0.00 -0.13 0.00 0.00 59.36 59.46 2xak h GLU 545 Cb 1.16 0.19 -0.11 0.00 0.63 0.00 0.00 28.75 30.62 2xak h GLU 545 CO 0.02 -0.53 0.37 0.00 -0.73 0.00 0.00 179.01 178.14 2xak h ALA 546 N -0.52 1.30 0.44 2.92 0.00 -1.18 -0.24 119.26 121.99 2xak h ALA 546 Ca -0.09 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2xak h ALA 546 Cb 0.66 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2xak h ALA 546 CO 0.14 -0.26 -0.21 0.82 0.00 0.00 0.00 179.25 179.74 2xak h ILE 547 N 0.45 0.48 -0.65 0.00 2.04 -1.09 -2.53 117.51 116.21 2xak h ILE 547 Ca 0.50 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 2xak h ILE 547 Cb 0.87 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 2xak h ILE 547 CO -0.47 0.07 0.33 -0.61 0.00 0.00 0.00 178.15 177.47 2xak h GLN 548 N -0.89 0.90 0.62 2.37 5.75 -1.11 -1.43 115.11 121.33 2xak h GLN 548 Ca -0.06 -0.11 -0.03 0.00 -0.15 0.00 0.00 58.65 58.30 2xak h GLN 548 Cb 0.57 -0.18 0.01 0.00 1.07 0.00 0.00 27.48 28.95 2xak h GLN 548 CO 0.10 0.68 -0.30 -0.92 -2.65 0.00 0.00 178.83 175.74 2xak h TYR 549 N 0.91 -0.78 -0.77 3.99 3.20 -1.02 0.25 116.97 122.75 2xak h TYR 549 Ca 0.23 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.21 2xak h TYR 549 Cb 0.06 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 2xak h TYR 549 CO 0.01 -0.48 0.51 1.88 -1.64 0.00 0.00 178.16 178.44 2xak h TYR 550 N -0.90 0.61 -0.01 -3.82 0.05 -1.43 0.25 116.97 111.72 2xak h TYR 550 Ca -0.09 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 2xak h TYR 550 Cb 0.64 -0.20 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 2xak h TYR 550 CO 0.07 0.25 0.00 -0.07 -1.05 0.00 0.00 178.16 177.36 2xak h LEU 551 N 0.54 0.01 -0.49 3.88 3.38 -1.15 0.16 115.31 121.64 2xak h LEU 551 Ca 0.38 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2xak h LEU 551 Cb 0.70 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2xak h LEU 551 CO -0.14 0.19 0.31 -0.07 0.09 0.00 0.00 178.44 178.83 2xak h LEU 552 N -0.17 0.58 -0.43 1.67 3.38 0.13 -2.25 115.31 118.22 2xak h LEU 552 Ca 0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2xak h LEU 552 Cb 0.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2xak h LEU 552 CO -0.00 0.44 0.20 0.50 0.09 0.00 0.00 178.44 179.67 2xak h LYS 553 N 0.66 0.40 -0.51 1.13 3.64 -0.38 0.28 116.57 121.80 2xak h LYS 553 Ca 0.18 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 2xak h LYS 553 Cb -0.05 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2xak h LYS 553 CO -0.04 0.27 -0.03 0.00 -2.27 0.00 0.00 179.45 177.38 2xak h ALA 554 N 1.23 0.99 -0.07 5.00 0.00 -0.84 -0.94 119.26 124.63 2xak h ALA 554 Ca 0.19 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2xak h ALA 554 Cb 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2xak h ALA 554 CO -0.14 0.61 -0.66 1.03 0.00 0.00 0.00 179.25 180.10 2xak h SER 555 N 0.81 0.33 -0.21 0.00 0.87 -0.84 -1.45 113.55 113.06 2xak h SER 555 Ca 0.15 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 2xak h SER 555 Cb 0.52 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 2xak h SER 555 CO 0.03 0.89 0.10 -1.13 -0.53 0.00 0.00 176.83 176.19 2xak h ASN 556 N 0.20 0.27 -0.78 6.23 -0.00 -0.11 -1.13 115.58 120.26 2xak h ASN 556 Ca -0.01 -0.13 0.00 0.00 -0.00 0.00 0.00 56.30 56.16 2xak h ASN 556 Cb 1.19 -0.07 -0.04 0.00 -0.00 0.00 0.00 38.32 39.40 2xak h ASN 556 CO 0.10 0.32 0.49 -0.33 -0.00 0.00 0.00 177.43 178.02 2xak h GLU 557 N 0.20 1.05 -0.15 6.67 4.39 -1.09 -1.66 114.58 123.99 2xak h GLU 557 Ca 0.07 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 2xak h GLU 557 Cb 0.12 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 2xak h GLU 557 CO -0.01 0.72 -0.32 1.25 -1.16 0.00 0.00 179.01 179.49 2xak h LEU 558 N 1.08 0.31 -0.67 1.33 5.85 -0.94 -2.15 115.31 120.12 2xak h LEU 558 Ca 0.29 -0.11 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 2xak h LEU 558 Cb -0.08 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2xak h LEU 558 CO -0.06 0.62 -0.06 0.00 -0.34 0.00 0.00 178.44 178.61 2xak h ALA 559 N 1.40 0.87 0.75 1.25 0.00 -0.27 -0.88 119.26 122.39 2xak h ALA 559 Ca 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2xak h ALA 559 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2xak h ALA 559 CO 0.05 0.65 -0.49 0.87 0.00 0.00 0.00 179.25 180.33 2xak h LYS 560 N 0.88 -1.13 -0.62 0.00 1.57 -1.19 0.68 116.57 116.76 2xak h LYS 560 Ca 0.15 0.08 0.13 0.00 -1.87 0.00 0.00 60.65 59.13 2xak h LYS 560 Cb 0.60 0.26 -0.10 0.00 0.08 0.00 0.00 32.23 33.06 2xak h LYS 560 CO 0.04 -0.75 0.03 1.49 -0.57 0.00 0.00 179.45 179.69 2xak h GLU 561 N -1.17 0.14 0.00 3.15 4.81 -1.27 -3.36 114.58 116.88 2xak h GLU 561 Ca -0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2xak h GLU 561 Cb 0.95 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.30 2xak h GLU 561 CO 0.08 0.09 0.00 1.04 -0.73 0.00 0.00 179.01 179.49 2xak n GLN 562 N -5.25 -0.41 0.00 1.92 6.02 -0.35 -5.11 117.38 114.20 2xak n GLN 562 Ca 0.09 -0.24 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 2xak n GLN 562 Cb 0.35 -0.73 0.00 0.00 1.02 0.00 0.00 30.24 30.88 2xak n GLN 562 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xak n GLY 563 N 0.01 2.19 3.69 1.08 0.00 0.24 -5.00 105.19 107.39 2xak n GLY 563 Ca 0.00 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 2xak n GLY 563 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xak s ALA 564 N -1.05 1.53 0.41 4.61 0.00 -1.24 -4.54 121.76 121.48 2xak s ALA 564 Ca 0.00 0.42 -0.25 0.00 0.00 0.00 0.00 51.96 52.13 2xak s ALA 564 Cb 0.00 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.66 2xak s ALA 564 CO 0.00 -2.57 1.20 0.00 0.00 0.00 0.00 175.76 174.39 2xak h PRO 566 N 2.56 0.24 -0.82 0.00 0.11 -1.76 0.21 132.00 132.54 2xak h PRO 566 Ca -0.49 -0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 2xak h PRO 566 Cb 1.24 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 2xak h PRO 566 CO 0.62 0.16 0.32 0.91 -0.21 0.00 0.00 178.00 179.80 2xak n TRP 567 N -5.15 2.38 -0.35 0.65 8.01 0.69 -4.56 117.44 119.11 2xak n TRP 567 Ca 0.28 -1.23 0.15 0.00 -1.31 0.00 0.00 57.50 55.39 2xak n TRP 567 Cb 0.89 -0.70 0.35 0.00 -2.01 0.00 0.00 31.31 29.85 2xak n TRP 567 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.69 177.03 2xak h PHE 568 N 2.19 1.02 0.00 -5.99 3.57 -0.78 -1.35 116.94 115.61 2xak h PHE 568 Ca 0.31 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.84 2xak h PHE 568 Cb 2.31 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 40.74 2xak h PHE 568 CO 1.24 0.18 0.36 -2.95 -2.23 0.00 0.00 178.31 174.91 2xak h ASN 569 N 0.69 0.00 0.73 0.41 -1.07 -1.83 0.01 115.58 114.52 2xak h ASN 569 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.97 2xak h ASN 569 Cb 1.03 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.28 2xak h ASN 569 CO -0.40 0.00 -0.15 -0.62 0.07 0.00 0.00 177.43 176.33 2xak n GLU 570 N -2.85 0.15 -2.71 4.14 1.02 -0.51 -4.89 120.64 114.99 2xak n GLU 570 Ca -0.02 -0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.77 2xak n GLU 570 Cb 0.40 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.29 2xak n GLU 570 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2xak s THR 571 N -2.88 4.68 0.29 2.62 -4.23 -0.01 -2.00 115.64 114.11 2xak s THR 571 Ca 0.17 0.87 0.22 0.00 -1.18 0.00 0.00 61.69 61.77 2xak s THR 571 Cb 0.19 -3.72 0.21 0.00 1.34 0.00 0.00 72.50 70.52 2xak s THR 571 CO 0.56 -0.56 1.90 0.71 -0.54 0.00 0.00 174.62 176.69 2xak h THR 572 N 1.10 0.77 -0.41 3.99 1.35 -0.27 -2.99 112.91 116.45 2xak h THR 572 Ca -0.47 -1.02 0.04 0.00 -0.55 0.00 0.00 66.41 64.40 2xak h THR 572 Cb 1.19 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 69.20 2xak h THR 572 CO 0.63 0.24 0.19 1.88 -0.25 0.00 0.00 175.52 178.21 2xak h TYR 573 N 0.00 0.35 -0.65 4.73 0.05 -1.69 -1.64 116.97 118.12 2xak h TYR 573 Ca -0.00 0.02 0.19 0.00 0.05 0.00 0.00 58.73 58.98 2xak h TYR 573 Cb 0.61 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 2xak h TYR 573 CO 0.00 0.17 0.65 0.00 -1.05 0.00 0.00 178.16 177.93 2xak h ALA 574 N 1.23 2.43 -0.74 3.88 0.00 -1.72 -0.63 119.26 123.72 2xak h ALA 574 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2xak h ALA 574 Cb 0.11 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2xak h ALA 574 CO -0.14 -0.99 0.00 1.63 0.00 0.00 0.00 179.25 179.75 2xak n LYS 575 N -3.70 2.71 -1.00 0.00 5.02 -0.70 -4.78 118.16 115.72 2xak n LYS 575 Ca 0.13 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.76 2xak n LYS 575 Cb 0.89 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2xak n LYS 575 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2xak n GLY 576 N 1.68 0.44 3.69 0.72 0.00 -0.24 -5.02 105.19 106.45 2xak n GLY 576 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2xak n GLY 576 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xak s ILE 577 N -1.90 5.15 0.26 -0.61 1.01 -0.74 -5.00 121.20 119.37 2xak s ILE 577 Ca 0.00 0.94 0.11 0.00 0.00 0.00 0.00 60.65 61.70 2xak s ILE 577 Cb 0.00 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2xak s ILE 577 CO 0.00 0.25 -0.14 -0.76 0.00 0.00 0.00 174.94 174.29 2xak s LEU 578 N 1.15 2.76 0.31 2.97 1.43 -1.26 -3.18 118.68 122.86 2xak s LEU 578 Ca 0.25 -0.88 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2xak s LEU 578 Cb -0.15 -1.31 0.85 0.00 0.03 0.00 0.00 46.19 45.60 2xak s LEU 578 CO 0.10 0.04 1.66 1.55 0.23 0.00 0.00 176.35 179.93 2xak h PRO 579 N 2.31 0.29 0.00 1.29 0.13 -1.93 0.08 132.00 134.17 2xak h PRO 579 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2xak h PRO 579 Cb 1.25 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2xak h PRO 579 CO 0.58 0.19 0.00 0.44 -0.23 0.00 0.00 178.00 178.99 2xak n ILE 580 N -5.12 0.00 -0.03 -3.56 -5.35 -1.26 -1.93 119.36 102.10 2xak n ILE 580 Ca 0.25 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.74 2xak n ILE 580 Cb 0.78 -0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 37.96 2xak n ILE 580 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2xak n ASP 581 N -0.84 2.21 -0.49 7.28 8.00 0.01 -4.76 116.55 127.96 2xak n ASP 581 Ca 0.07 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.61 2xak n ASP 581 Cb 0.03 1.18 0.10 0.00 -0.02 0.00 0.00 41.12 42.41 2xak n ASP 581 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2xak n THR 582 N -2.16 0.67 -1.40 -3.53 -2.24 -0.81 -5.04 114.28 99.76 2xak n THR 582 Ca -0.10 -0.83 -0.31 0.00 -2.27 0.00 0.00 64.05 60.54 2xak n THR 582 Cb 0.58 0.73 0.08 0.00 -2.10 0.00 0.00 70.33 69.63 2xak n THR 582 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 2xak s TYR 583 N -0.93 2.76 -0.02 4.78 -0.85 -1.11 -4.26 117.35 117.72 2xak s TYR 583 Ca 0.17 1.39 -0.30 0.00 -0.52 0.00 0.00 57.07 57.81 2xak s TYR 583 Cb 0.09 -3.02 -0.06 0.00 0.38 0.00 0.00 41.96 39.35 2xak s TYR 583 CO 0.13 -1.70 1.55 0.21 -1.52 0.00 0.00 175.55 174.21 2xak s LYS 584 N -5.00 4.22 0.49 -3.49 2.47 -1.26 -4.90 119.74 112.27 2xak s LYS 584 Ca 0.60 2.11 0.15 0.00 -1.56 0.00 0.00 55.97 57.28 2xak s LYS 584 Cb -0.16 -3.76 1.15 0.00 -1.46 0.00 0.00 37.83 33.60 2xak s LYS 584 CO 0.56 -0.73 2.08 0.87 0.16 0.00 0.00 175.35 178.29 2xak h LYS 585 N 8.65 0.00 -0.18 4.03 6.56 -1.92 -1.97 116.57 131.74 2xak h LYS 585 Ca -0.39 -0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.26 2xak h LYS 585 Cb 1.18 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.83 2xak h LYS 585 CO 0.93 0.08 0.23 -0.44 -2.06 0.00 0.00 179.45 178.20 2xak h ASP 586 N 0.00 0.00 -0.15 0.86 5.19 -1.90 -0.11 116.42 120.31 2xak h ASP 586 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 2xak h ASP 586 Cb 0.14 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 2xak h ASP 586 CO 0.01 0.00 0.24 -0.07 -3.12 0.00 0.00 179.24 176.30 2xak h LEU 587 N 0.00 0.00 -1.67 1.55 3.38 -1.65 -0.20 115.31 116.72 2xak h LEU 587 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2xak h LEU 587 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2xak h LEU 587 CO -0.00 0.00 -0.14 0.44 0.09 0.00 0.00 178.44 178.83 2xak h ASP 588 N 0.00 0.03 1.59 -0.43 3.32 -1.23 -2.55 116.42 117.14 2xak h ASP 588 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2xak h ASP 588 Cb 0.55 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2xak h ASP 588 CO -0.00 0.17 -0.17 0.71 -1.72 0.00 0.00 179.24 178.23 2xak h THR 589 N 0.03 0.32 -0.01 0.35 1.35 -1.23 -3.32 112.91 110.40 2xak h THR 589 Ca 0.01 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.57 2xak h THR 589 Cb 0.27 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 2xak h THR 589 CO 0.02 0.17 -0.23 2.30 -0.25 0.00 0.00 175.52 177.53 2xak n ILE 590 N -3.18 0.00 -3.77 6.82 -5.35 -0.98 -4.99 119.36 107.91 2xak n ILE 590 Ca 0.02 -0.39 -0.13 0.00 -0.27 0.00 0.00 62.75 61.99 2xak n ILE 590 Cb 0.55 1.18 -0.09 0.00 -1.74 0.00 0.00 39.64 39.53 2xak n ILE 590 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2xak s ALA 591 N -1.55 -0.75 0.00 -1.28 0.00 -1.06 -4.83 121.76 112.29 2xak s ALA 591 Ca 0.12 0.41 0.11 0.00 0.00 0.00 0.00 51.96 52.60 2xak s ALA 591 Cb 0.11 -0.05 0.18 0.00 0.00 0.00 0.00 23.12 23.36 2xak s ALA 591 CO 0.30 -0.23 1.02 0.27 0.00 0.00 0.00 175.76 177.12 2xak n ASN 592 N 1.63 0.30 -4.72 0.00 0.23 -1.26 -4.61 115.26 106.84 2xak n ASN 592 Ca -0.20 -1.90 -0.42 0.00 -0.53 0.00 0.00 54.58 51.53 2xak n ASN 592 Cb 0.56 -0.17 -0.03 0.00 -2.08 0.00 0.00 39.78 38.07 2xak n ASN 592 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2xak s GLU 593 N 0.00 4.18 0.52 -3.83 2.56 -1.26 -4.99 118.70 115.88 2xak s GLU 593 Ca 0.14 2.46 -0.19 0.00 0.00 0.00 0.00 54.97 57.38 2xak s GLU 593 Cb 0.16 -3.12 -0.07 0.00 2.00 0.00 0.00 34.13 33.10 2xak s GLU 593 CO -0.07 -0.65 1.05 -1.25 -0.56 0.00 0.00 175.26 173.77 2xak s PRO 594 N 1.04 3.65 0.31 4.30 0.04 -1.26 -4.99 135.00 138.09 2xak s PRO 594 Ca 0.71 1.33 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2xak s PRO 594 Cb -0.46 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 31.90 2xak s PRO 594 CO 0.32 -0.55 1.44 -0.51 0.04 0.00 0.00 177.00 177.75 2xak s LEU 595 N -3.78 4.37 -0.00 -3.56 1.43 -1.26 -4.91 118.68 110.97 2xak s LEU 595 Ca 0.66 2.82 0.17 0.00 -1.03 0.00 0.00 54.13 56.75 2xak s LEU 595 Cb -0.16 -3.64 -0.19 0.00 0.03 0.00 0.00 46.19 42.23 2xak s LEU 595 CO 0.25 -0.74 0.72 1.41 0.23 0.00 0.00 176.35 178.23 2xak n HIS 596 N 1.43 0.00 -4.42 0.29 8.25 -1.26 -5.00 115.22 114.50 2xak n HIS 596 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 2xak n HIS 596 Cb 0.40 -0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.41 2xak n HIS 596 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2xak s TYR 597 N -2.61 2.42 -1.20 4.41 2.02 -1.26 -5.05 117.35 116.07 2xak s TYR 597 Ca 0.06 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.23 2xak s TYR 597 Cb 0.13 -1.12 0.03 0.00 -0.40 0.00 0.00 41.96 40.60 2xak s TYR 597 CO 0.70 0.66 1.72 0.34 -1.57 0.00 0.00 175.55 177.41 2xak s ASP 598 N -3.58 6.37 0.40 2.29 -1.08 -1.26 -4.80 116.67 115.02 2xak s ASP 598 Ca 0.31 -2.02 0.19 0.00 -0.52 0.00 0.00 52.55 50.51 2xak s ASP 598 Cb -0.04 -2.58 0.81 0.00 -1.46 0.00 0.00 42.92 39.65 2xak s ASP 598 CO 0.17 -1.65 1.81 -0.50 0.52 0.00 0.00 175.17 175.52 2xak h TRP 599 N 8.59 0.00 -0.07 -5.34 4.06 -1.98 -2.75 115.95 118.46 2xak h TRP 599 Ca 0.34 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 61.10 2xak h TRP 599 Cb 0.92 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.07 2xak h TRP 599 CO 1.35 0.34 -0.76 0.93 -3.56 0.00 0.00 178.44 176.74 2xak h GLU 600 N 0.00 0.40 0.10 0.49 4.39 -1.99 0.30 114.58 118.28 2xak h GLU 600 Ca -0.00 -0.34 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 2xak h GLU 600 Cb 0.75 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2xak h GLU 600 CO 0.04 0.99 -0.05 0.00 -1.16 0.00 0.00 179.01 178.84 2xak h ALA 601 N 0.91 -0.13 -1.01 3.43 0.00 -1.96 -2.65 119.26 117.86 2xak h ALA 601 Ca -0.04 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 54.87 2xak h ALA 601 Cb 1.34 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.11 2xak h ALA 601 CO 0.13 -0.52 0.65 1.25 0.00 0.00 0.00 179.25 180.76 2xak h LEU 602 N -0.23 1.02 -0.56 0.00 5.85 -1.43 -1.41 115.31 118.54 2xak h LEU 602 Ca -0.01 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2xak h LEU 602 Cb 0.19 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2xak h LEU 602 CO 0.02 0.64 0.27 -0.09 -0.34 0.00 0.00 178.44 178.93 2xak h ARG 603 N 1.15 0.49 -0.06 1.25 2.43 -0.19 -0.56 114.38 118.89 2xak h ARG 603 Ca 0.44 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.58 2xak h ARG 603 Cb 0.22 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2xak h ARG 603 CO -0.19 0.32 0.00 0.93 -1.51 0.00 0.00 179.97 179.52 2xak h GLU 604 N 0.50 0.11 -0.27 0.20 4.39 -1.10 -1.99 114.58 116.43 2xak h GLU 604 Ca 0.26 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2xak h GLU 604 Cb 0.21 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2xak h GLU 604 CO -0.20 0.38 0.10 1.03 -1.16 0.00 0.00 179.01 179.16 2xak h SER 605 N -0.18 0.33 -0.08 1.42 0.87 -0.94 0.14 113.55 115.12 2xak h SER 605 Ca 0.02 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 2xak h SER 605 Cb 0.33 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2xak h SER 605 CO 0.00 0.31 -0.24 0.40 -0.53 0.00 0.00 176.83 176.77 2xak h ILE 606 N 0.37 1.42 -0.73 2.23 2.04 -1.10 -1.12 117.51 120.63 2xak h ILE 606 Ca 0.09 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.38 2xak h ILE 606 Cb 0.08 2.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 2xak h ILE 606 CO -0.01 0.46 0.48 0.50 0.00 0.00 0.00 178.15 179.58 2xak h LYS 607 N -0.18 0.91 0.12 2.37 3.64 -0.55 0.18 116.57 123.07 2xak h LYS 607 Ca -0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2xak h LYS 607 Cb 0.86 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2xak h LYS 607 CO 0.05 0.60 -0.06 1.15 -2.27 0.00 0.00 179.45 178.92 2xak h THR 608 N 0.94 0.00 0.00 1.00 2.02 -0.74 -3.40 112.91 112.72 2xak h THR 608 Ca 0.28 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.63 2xak h THR 608 Cb -0.03 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2xak h THR 608 CO -0.07 0.00 -1.18 1.41 0.37 0.00 0.00 175.52 176.05 2xak n HIS 609 N -4.76 0.16 -1.45 3.16 8.25 -0.43 -5.08 115.22 115.08 2xak n HIS 609 Ca -0.02 0.05 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 2xak n HIS 609 Cb 0.07 -0.35 -0.00 0.00 1.12 0.00 0.00 29.99 30.82 2xak n HIS 609 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xak n GLY 610 N 1.38 -2.17 3.53 -1.41 0.00 0.05 -4.37 105.19 102.21 2xak n GLY 610 Ca 0.01 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 2xak n GLY 610 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xak s LEU 611 N 0.00 2.93 0.34 0.99 1.43 -1.26 -4.43 118.68 118.68 2xak s LEU 611 Ca 0.00 -0.23 0.11 0.00 -1.03 0.00 0.00 54.13 52.98 2xak s LEU 611 Cb 0.00 -1.68 0.62 0.00 0.03 0.00 0.00 46.19 45.16 2xak s LEU 611 CO 0.00 0.29 1.77 -0.09 0.23 0.00 0.00 176.35 178.55 2xak h ARG 612 N 4.71 0.04 -5.08 1.70 9.65 -1.71 -2.13 114.38 121.56 2xak h ARG 612 Ca -0.48 -0.02 -0.55 0.00 -1.10 0.00 0.00 59.98 57.84 2xak h ARG 612 Cb 1.16 -0.00 -0.32 0.00 -1.39 0.00 0.00 29.97 29.42 2xak h ARG 612 CO 0.51 0.45 -0.83 -0.80 2.80 0.00 0.00 179.97 182.10 2xak s ASN 613 N -6.91 2.04 0.43 -3.80 -0.87 -1.26 -3.69 114.94 100.88 2xak s ASN 613 Ca -0.03 -0.34 0.22 0.00 -1.57 0.00 0.00 52.86 51.14 2xak s ASN 613 Cb 0.14 -0.67 0.95 0.00 -0.02 0.00 0.00 41.25 41.65 2xak s ASN 613 CO 0.74 0.12 1.86 0.28 -2.57 0.00 0.00 177.10 177.52 2xak h SER 614 N 6.44 0.00 -4.96 -1.22 0.02 -0.93 -3.43 113.55 109.46 2xak h SER 614 Ca -0.31 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.45 2xak h SER 614 Cb 1.18 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.52 2xak h SER 614 CO 0.48 0.27 -0.70 0.42 -1.14 0.00 0.00 176.83 176.15 2xak s THR 615 N -3.83 0.21 0.00 -2.27 -4.23 -1.26 -4.85 115.64 99.41 2xak s THR 615 Ca -0.01 -1.07 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 2xak s THR 615 Cb 0.12 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.46 2xak s THR 615 CO 0.65 -0.55 0.00 0.18 -0.54 0.00 0.00 174.62 174.36 2xak n LEU 616 N 1.36 0.41 -4.30 4.79 4.77 -1.23 -1.28 117.00 121.52 2xak n LEU 616 Ca -0.22 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.45 2xak n LEU 616 Cb 0.56 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.49 2xak n LEU 616 CO 0.21 0.07 -0.56 -0.94 -1.33 0.00 0.00 177.39 174.84 2xak s SER 617 N -2.76 2.99 -0.28 -1.43 1.04 -1.26 -0.28 113.70 111.74 2xak s SER 617 Ca 0.00 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 55.79 2xak s SER 617 Cb 0.00 -0.32 0.09 0.00 0.10 0.00 0.00 66.02 65.89 2xak s SER 617 CO 0.00 0.30 0.74 0.00 0.98 0.00 0.00 173.24 175.26 2xak s ALA 618 N -0.63 -1.96 -0.69 5.32 0.00 -0.64 -1.19 121.76 121.97 2xak s ALA 618 Ca 0.10 2.39 -0.19 0.00 0.00 0.00 0.00 51.96 54.26 2xak s ALA 618 Cb -0.10 -1.49 0.12 0.00 0.00 0.00 0.00 23.12 21.66 2xak s ALA 618 CO -0.00 -0.38 0.81 -0.51 0.00 0.00 0.00 175.76 175.68 2xak s LEU 619 N 1.61 5.42 0.53 0.00 1.43 -0.72 -2.67 118.68 124.27 2xak s LEU 619 Ca -0.10 -1.67 -0.02 0.00 -1.03 0.00 0.00 54.13 51.30 2xak s LEU 619 Cb -0.05 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.86 2xak s LEU 619 CO -0.19 -1.07 0.80 0.00 0.23 0.00 0.00 176.35 176.12 2xak s MET 620 N 2.48 2.88 0.57 1.70 0.23 -1.26 -1.22 119.30 124.68 2xak s MET 620 Ca 0.17 -0.33 -0.12 0.00 -1.03 0.00 0.00 55.69 54.38 2xak s MET 620 Cb -0.18 -2.41 -0.05 0.00 -1.53 0.00 0.00 34.83 30.65 2xak s MET 620 CO 0.02 -0.56 0.99 -1.25 -2.03 0.00 0.00 175.02 172.18 2xak s PRO 621 N -4.80 3.71 0.15 3.16 0.05 -1.26 -4.68 135.00 131.33 2xak s PRO 621 Ca 0.52 0.76 0.04 0.00 0.05 0.00 0.00 61.00 62.37 2xak s PRO 621 Cb -0.10 -2.13 -0.04 0.00 0.05 0.00 0.00 34.50 32.27 2xak s PRO 621 CO 0.41 -0.42 -0.09 -1.54 0.05 0.00 0.00 177.00 175.41 2xak s SER 622 N -3.78 1.76 0.29 6.66 1.04 -1.26 -4.93 113.70 113.47 2xak s SER 622 Ca 0.55 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.95 2xak s SER 622 Cb -0.11 -0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2xak s SER 622 CO 0.45 -0.36 0.00 1.21 0.98 0.00 0.00 173.24 175.53 2xak n GLU 623 N -0.21 0.00 -0.04 4.02 4.07 -1.26 -4.55 120.64 122.66 2xak n GLU 623 Ca -0.10 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.87 2xak n GLU 623 Cb 0.61 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.91 2xak n GLU 623 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2xak h THR 624 N 0.00 1.37 -0.39 6.31 2.02 -1.99 -2.38 112.91 117.85 2xak h THR 624 Ca 0.00 -1.35 -0.03 0.00 0.77 0.00 0.00 66.41 65.79 2xak h THR 624 Cb 0.00 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 2xak h THR 624 CO 0.00 0.39 0.12 0.28 0.37 0.00 0.00 175.52 176.68 2xak h SER 625 N -0.14 0.56 0.76 4.18 0.02 -1.92 -2.69 113.55 114.32 2xak h SER 625 Ca 0.01 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.70 2xak h SER 625 Cb 0.69 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2xak h SER 625 CO 0.03 0.62 -0.26 0.77 -1.14 0.00 0.00 176.83 176.85 2xak h SER 626 N 0.48 0.00 0.13 3.07 4.64 -1.87 -3.00 113.55 116.99 2xak h SER 626 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 2xak h SER 626 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 2xak h SER 626 CO -0.00 0.26 -0.06 1.56 -0.87 0.00 0.00 176.83 177.71 2xak h GLN 627 N 0.00 -0.17 -0.93 4.77 4.20 -1.15 0.19 115.11 122.03 2xak h GLN 627 Ca -0.00 0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.99 2xak h GLN 627 Cb 0.71 0.04 -0.15 0.00 0.30 0.00 0.00 27.48 28.38 2xak h GLN 627 CO 0.03 0.19 0.30 0.82 -0.67 0.00 0.00 178.83 179.51 2xak h ILE 628 N -0.56 0.25 -0.01 2.54 1.08 -1.35 0.12 117.51 119.58 2xak h ILE 628 Ca -0.02 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2xak h ILE 628 Cb 0.44 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.23 2xak h ILE 628 CO 0.03 0.04 -0.08 -1.20 -0.69 0.00 0.00 178.15 176.24 2xak n SER 629 N -5.22 0.87 -3.66 1.72 7.64 -1.17 -4.64 113.62 109.16 2xak n SER 629 Ca 0.25 -1.03 -0.30 0.00 1.01 0.00 0.00 58.87 58.80 2xak n SER 629 Cb 0.80 0.01 0.04 0.00 -1.01 0.00 0.00 64.21 64.04 2xak n SER 629 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2xak n ASN 630 N -0.50 -5.44 -4.25 6.43 4.05 0.42 -5.00 115.26 110.97 2xak n ASN 630 Ca 0.17 -0.98 -0.19 0.00 0.45 0.00 0.00 54.58 54.03 2xak n ASN 630 Cb 0.29 -3.38 -0.11 0.00 1.23 0.00 0.00 39.78 37.81 2xak n ASN 630 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2xak s ALA 631 N -3.42 1.55 0.53 5.20 0.00 0.62 -4.40 121.76 121.83 2xak s ALA 631 Ca 0.44 -1.27 -0.20 0.00 0.00 0.00 0.00 51.96 50.93 2xak s ALA 631 Cb -0.16 -0.11 -0.06 0.00 0.00 0.00 0.00 23.12 22.79 2xak s ALA 631 CO 0.86 0.16 1.17 0.95 0.00 0.00 0.00 175.76 178.90 2xak s THR 632 N -1.88 2.97 0.04 0.00 -4.23 -1.26 -4.52 115.64 106.77 2xak s THR 632 Ca 0.08 0.65 -0.31 0.00 -1.18 0.00 0.00 61.69 60.93 2xak s THR 632 Cb -0.06 -3.28 -0.06 0.00 1.34 0.00 0.00 72.50 70.43 2xak s THR 632 CO 0.03 -0.09 1.40 0.20 -0.54 0.00 0.00 174.62 175.62 2xak s ASN 633 N -1.58 6.84 0.34 3.99 0.02 -1.26 -0.95 114.94 122.34 2xak s ASN 633 Ca 0.71 2.19 0.00 0.00 -1.02 0.00 0.00 52.86 54.75 2xak s ASN 633 Cb -0.27 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.43 2xak s ASN 633 CO 0.31 -0.70 0.00 0.61 0.02 0.00 0.00 177.10 177.35 2xak n GLY 634 N 3.60 2.29 0.64 0.66 0.00 -1.26 -0.41 105.19 110.71 2xak n GLY 634 Ca 0.13 0.38 0.06 0.00 0.00 0.00 0.00 46.02 46.58 2xak n GLY 634 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2xak n ILE 635 N 0.00 0.84 -2.88 -0.61 -5.35 -1.26 -2.45 119.36 107.65 2xak n ILE 635 Ca 0.00 -0.92 -0.37 0.00 -0.27 0.00 0.00 62.75 61.19 2xak n ILE 635 Cb 0.00 0.62 -0.06 0.00 -1.74 0.00 0.00 39.64 38.45 2xak n ILE 635 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2xak s GLU 636 N -1.00 4.53 0.23 6.28 0.41 0.45 -4.60 118.70 125.00 2xak s GLU 636 Ca 0.23 1.21 -0.30 0.00 -0.41 0.00 0.00 54.97 55.70 2xak s GLU 636 Cb 0.12 -2.92 -0.09 0.00 -1.78 0.00 0.00 34.13 29.46 2xak s GLU 636 CO 0.16 0.37 1.23 -2.14 -0.49 0.00 0.00 175.26 174.39 2xak s PRO 637 N -1.84 4.47 0.45 0.39 0.02 -1.26 -4.44 135.00 132.79 2xak s PRO 637 Ca 0.46 1.97 -0.24 0.00 0.02 0.00 0.00 61.00 63.21 2xak s PRO 637 Cb -0.19 -3.19 -0.07 0.00 0.02 0.00 0.00 34.50 31.06 2xak s PRO 637 CO 0.24 -0.09 1.21 -1.25 -0.33 0.00 0.00 177.00 176.78 2xak s PRO 638 N -0.70 3.75 0.06 5.54 0.04 -1.26 -4.29 135.00 138.14 2xak s PRO 638 Ca 0.52 1.91 -0.27 0.00 0.04 0.00 0.00 61.00 63.20 2xak s PRO 638 Cb -0.35 -2.49 -0.17 0.00 0.04 0.00 0.00 34.50 31.54 2xak s PRO 638 CO 0.41 -0.59 1.54 0.00 0.04 0.00 0.00 177.00 178.39 2xak h ARG 639 N 2.16 -0.40 0.00 4.56 3.08 -1.94 0.41 114.38 122.26 2xak h ARG 639 Ca -0.49 0.03 -0.25 0.00 0.07 0.00 0.00 59.98 59.34 2xak h ARG 639 Cb 1.25 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.33 2xak h ARG 639 CO 0.61 -0.19 -0.22 0.41 -1.07 0.00 0.00 179.97 179.51 2xak n GLY 640 N -0.94 3.62 0.18 0.04 0.00 -1.26 -4.21 105.19 102.61 2xak n GLY 640 Ca -0.10 -1.91 0.07 0.00 0.00 0.00 0.00 46.02 44.08 2xak n GLY 640 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2xak h TYR 641 N 1.40 0.00 -3.79 1.61 0.05 -1.95 -3.45 116.97 110.84 2xak h TYR 641 Ca -0.13 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.06 2xak h TYR 641 Cb 0.57 0.00 -0.32 0.00 1.01 0.00 0.00 36.73 37.99 2xak h TYR 641 CO 0.00 0.25 -0.85 0.08 -1.05 0.00 0.00 178.16 176.59 2xak s VAL 642 N -3.09 1.55 -0.00 -2.88 1.01 -1.26 -1.49 120.40 114.24 2xak s VAL 642 Ca 0.05 -0.77 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 2xak s VAL 642 Cb 0.06 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 2xak s VAL 642 CO 0.71 0.44 0.15 -0.44 0.00 0.00 0.00 175.10 175.97 2xak s SER 643 N 0.13 6.17 -0.12 3.32 0.01 0.29 -4.92 113.70 118.57 2xak s SER 643 Ca -0.07 0.28 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 2xak s SER 643 Cb -0.13 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 64.23 2xak s SER 643 CO 0.03 0.26 -0.08 -0.63 0.41 0.00 0.00 173.24 173.23 2xak s ILE 644 N -1.30 1.11 -0.07 1.44 1.01 -1.25 -1.68 121.20 120.47 2xak s ILE 644 Ca 0.26 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.58 2xak s ILE 644 Cb -0.12 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.20 2xak s ILE 644 CO 0.18 0.37 -0.14 -0.54 0.00 0.00 0.00 174.94 174.80 2xak s LYS 645 N 1.67 2.69 0.57 2.79 3.01 -0.13 -4.98 119.74 125.37 2xak s LYS 645 Ca 0.05 -0.70 -0.18 0.00 -1.01 0.00 0.00 55.97 54.13 2xak s LYS 645 Cb -0.13 -2.43 -0.04 0.00 -1.01 0.00 0.00 37.83 34.22 2xak s LYS 645 CO -0.09 0.53 1.11 0.00 0.51 0.00 0.00 175.35 177.42 2xak s ALA 646 N -0.49 2.65 -0.10 5.17 0.00 -1.26 -0.77 121.76 126.95 2xak s ALA 646 Ca 0.06 0.72 -0.30 0.00 0.00 0.00 0.00 51.96 52.44 2xak s ALA 646 Cb -0.12 -3.34 0.12 0.00 0.00 0.00 0.00 23.12 19.78 2xak s ALA 646 CO 0.02 -0.87 0.94 -1.54 0.00 0.00 0.00 175.76 174.31 2xak s SER 647 N -2.04 -0.39 0.04 0.00 1.04 -1.08 -4.85 113.70 106.43 2xak s SER 647 Ca 0.70 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 57.40 2xak s SER 647 Cb -0.22 0.34 0.05 0.00 0.10 0.00 0.00 66.02 66.29 2xak s SER 647 CO 0.31 -0.45 0.27 2.29 0.98 0.00 0.00 173.24 176.64 2xak n LYS 648 N 0.43 -0.04 -1.21 4.02 0.00 -1.26 -1.72 118.16 118.39 2xak n LYS 648 Ca -0.10 0.27 -0.23 0.00 -0.00 0.00 0.00 58.31 58.24 2xak n LYS 648 Cb 0.59 -0.40 0.17 0.00 -0.00 0.00 0.00 35.03 35.39 2xak n LYS 648 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2xak n ASP 649 N -4.26 4.18 0.00 -5.58 8.00 -1.26 -5.03 116.55 112.60 2xak n ASP 649 Ca 0.02 -3.66 0.00 0.00 0.71 0.00 0.00 54.79 51.86 2xak n ASP 649 Cb 0.07 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.34 2xak n ASP 649 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2xak n GLY 650 N -1.11 -1.76 3.71 0.44 0.00 -0.70 -4.96 105.19 100.81 2xak n GLY 650 Ca 0.57 -2.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.20 2xak n GLY 650 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xak s ILE 651 N 0.00 5.15 -0.40 -0.61 1.01 -1.26 -2.63 121.20 122.46 2xak s ILE 651 Ca 0.00 1.02 -0.17 0.00 0.00 0.00 0.00 60.65 61.50 2xak s ILE 651 Cb 0.00 -3.85 0.01 0.00 0.01 0.00 0.00 42.46 38.63 2xak s ILE 651 CO 0.00 0.28 0.45 -0.76 0.00 0.00 0.00 174.94 174.91 2xak s LEU 652 N 0.86 4.70 -0.16 2.97 1.43 0.05 -4.88 118.68 123.66 2xak s LEU 652 Ca 0.27 -0.50 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 2xak s LEU 652 Cb -0.15 -2.43 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 2xak s LEU 652 CO 0.11 -0.54 0.12 -0.13 0.23 0.00 0.00 176.35 176.14 2xak s ARG 653 N 2.20 3.78 -0.05 1.70 0.52 -1.25 -0.95 118.95 124.89 2xak s ARG 653 Ca 0.14 -0.20 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 2xak s ARG 653 Cb -0.17 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.05 2xak s ARG 653 CO 0.14 0.53 -0.11 -1.14 0.02 0.00 0.00 175.30 174.74 2xak s GLN 654 N -0.31 1.43 -0.19 3.54 0.74 -0.67 -4.58 119.66 119.63 2xak s GLN 654 Ca 0.11 -0.36 -0.08 0.00 0.05 0.00 0.00 55.36 55.08 2xak s GLN 654 Cb -0.12 -1.23 -0.04 0.00 1.10 0.00 0.00 33.01 32.72 2xak s GLN 654 CO 0.01 0.04 0.09 0.08 -0.55 0.00 0.00 175.29 174.96 2xak s VAL 655 N 0.57 5.01 0.35 1.34 1.01 -1.26 -0.55 120.40 126.87 2xak s VAL 655 Ca -0.11 0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.66 2xak s VAL 655 Cb -0.14 -3.27 -0.13 0.00 0.00 0.00 0.00 36.38 32.84 2xak s VAL 655 CO 0.02 0.46 0.73 1.33 0.00 0.00 0.00 175.10 177.65 2xak n VAL 656 N 3.50 1.94 -1.71 2.92 0.24 -0.55 -4.80 118.33 119.87 2xak n VAL 656 Ca -0.16 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.23 2xak n VAL 656 Cb 0.52 -0.67 0.01 0.00 -1.47 0.00 0.00 33.84 32.24 2xak n VAL 656 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2xak n PRO 657 N 0.65 2.03 -3.98 7.34 -0.04 -1.26 -2.94 135.00 136.80 2xak n PRO 657 Ca 0.12 0.72 -0.30 0.00 -0.04 0.00 0.00 63.50 63.99 2xak n PRO 657 Cb 0.35 -2.41 0.01 0.00 -0.04 0.00 0.00 33.50 31.41 2xak n PRO 657 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2xak n ASP 658 N 0.27 -3.61 -0.33 3.54 2.03 -1.26 -4.88 116.55 112.31 2xak n ASP 658 Ca 0.06 -0.86 0.01 0.00 0.52 0.00 0.00 54.79 54.52 2xak n ASP 658 Cb 0.39 -3.54 0.15 0.00 -0.72 0.00 0.00 41.12 37.41 2xak n ASP 658 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2xak h TYR 659 N -1.89 1.07 -0.48 -0.67 3.20 -1.88 -1.30 116.97 115.01 2xak h TYR 659 Ca -0.59 0.03 0.10 0.00 3.14 0.00 0.00 58.73 61.41 2xak h TYR 659 Cb 1.38 -0.35 -0.10 0.00 1.54 0.00 0.00 36.73 39.20 2xak h TYR 659 CO 0.57 0.56 -0.15 1.49 -1.64 0.00 0.00 178.16 178.98 2xak h GLU 660 N 1.06 -0.04 0.00 1.82 4.81 -1.89 -1.43 114.58 118.91 2xak h GLU 660 Ca 0.39 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.59 2xak h GLU 660 Cb 0.15 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2xak h GLU 660 CO -0.17 -0.03 -0.95 0.45 -0.73 0.00 0.00 179.01 177.58 2xak h HIS 661 N -0.04 0.00 -0.01 0.92 3.86 -1.89 -3.40 115.15 114.58 2xak h HIS 661 Ca 0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2xak h HIS 661 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.87 2xak h HIS 661 CO -0.44 0.11 0.00 1.28 0.86 0.00 0.00 177.93 179.74 2xak n LEU 662 N -2.77 1.91 -0.28 2.43 4.77 -0.51 -4.79 117.00 117.76 2xak n LEU 662 Ca -0.01 -1.88 0.09 0.00 -0.03 0.00 0.00 56.01 54.18 2xak n LEU 662 Cb 0.60 -0.01 0.24 0.00 -2.33 0.00 0.00 43.42 41.92 2xak n LEU 662 CO 0.40 0.48 1.01 1.12 -1.33 0.00 0.00 177.39 179.07 2xak h HIS 663 N 0.07 0.53 0.00 -1.77 2.07 -1.49 0.65 115.15 115.22 2xak h HIS 663 Ca 0.00 0.04 -0.07 0.00 -2.85 0.00 0.00 60.37 57.49 2xak h HIS 663 Cb 0.45 -0.11 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 2xak h HIS 663 CO 0.01 -0.01 -0.34 -0.44 -3.07 0.00 0.00 177.93 174.07 2xak h ASP 664 N 0.40 0.00 -0.07 3.10 3.32 -1.88 -3.29 116.42 118.00 2xak h ASP 664 Ca 0.48 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 57.33 2xak h ASP 664 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2xak h ASP 664 CO -0.48 0.34 -0.70 0.00 -1.72 0.00 0.00 179.24 176.68 2xak h ALA 665 N 1.66 0.44 -2.93 3.45 0.00 -1.23 -3.45 119.26 117.20 2xak h ALA 665 Ca -0.00 -0.58 -0.55 0.00 0.00 0.00 0.00 54.91 53.78 2xak h ALA 665 Cb 1.19 -0.04 0.12 0.00 0.00 0.00 0.00 17.79 19.05 2xak h ALA 665 CO 0.04 0.70 0.69 0.66 0.00 0.00 0.00 179.25 181.34 2xak n TYR 666 N -3.93 2.67 -3.71 0.00 4.01 -0.71 -4.73 117.16 110.76 2xak n TYR 666 Ca -0.06 0.45 -0.38 0.00 -0.16 0.00 0.00 57.90 57.75 2xak n TYR 666 Cb 0.70 -2.46 -0.12 0.00 -0.31 0.00 0.00 39.34 37.15 2xak n TYR 666 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 2xak s GLU 667 N -2.36 2.61 0.52 -0.72 2.12 -1.26 -5.02 118.70 114.58 2xak s GLU 667 Ca 0.60 -1.25 -0.20 0.00 0.36 0.00 0.00 54.97 54.48 2xak s GLU 667 Cb -0.46 -3.55 -0.06 0.00 0.26 0.00 0.00 34.13 30.31 2xak s GLU 667 CO 0.59 -0.74 1.14 -0.51 -0.54 0.00 0.00 175.26 175.19 2xak s LEU 668 N 1.41 3.82 0.14 2.70 1.43 -1.26 -4.53 118.68 122.38 2xak s LEU 668 Ca -0.00 2.20 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 2xak s LEU 668 Cb -0.20 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.50 2xak s LEU 668 CO 0.03 -1.13 1.29 -0.11 0.23 0.00 0.00 176.35 176.66 2xak n LEU 669 N -1.08 -0.85 -0.03 1.79 7.94 0.14 -0.46 117.00 124.45 2xak n LEU 669 Ca 0.10 1.49 0.00 0.00 -1.11 0.00 0.00 56.01 56.49 2xak n LEU 669 Cb 0.50 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.24 2xak n LEU 669 CO 0.43 -1.22 0.46 0.79 -1.11 0.00 0.00 177.39 176.74 2xak n TRP 670 N -5.07 0.00 0.89 1.96 7.02 -1.26 -3.06 117.44 117.92 2xak n TRP 670 Ca 0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.63 2xak n TRP 670 Cb 0.23 -0.01 0.17 0.00 -2.42 0.00 0.00 31.31 29.28 2xak n TRP 670 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 2xak n GLU 671 N -0.46 2.30 -2.74 -0.99 1.02 0.39 -4.88 120.64 115.27 2xak n GLU 671 Ca 0.00 -1.91 -0.42 0.00 -0.02 0.00 0.00 57.16 54.80 2xak n GLU 671 Cb 0.02 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 29.93 2xak n GLU 671 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2xak s MET 672 N -1.88 4.27 0.61 3.49 -1.94 -1.17 -4.91 119.30 117.77 2xak s MET 672 Ca 0.32 1.23 0.28 0.00 -1.71 0.00 0.00 55.69 55.81 2xak s MET 672 Cb 0.21 -3.62 1.48 0.00 2.01 0.00 0.00 34.83 34.91 2xak s MET 672 CO 0.31 -0.53 1.88 -1.35 -0.01 0.00 0.00 175.02 175.32 2xak h PRO 673 N 7.44 0.00 0.00 2.03 0.11 -1.90 -3.46 132.00 136.23 2xak h PRO 673 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2xak h PRO 673 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2xak h PRO 673 CO 0.92 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 2xak n GLY 674 N -1.45 1.40 0.08 -0.55 0.00 -1.26 -5.07 105.19 98.35 2xak n GLY 674 Ca 0.06 -0.71 0.11 0.00 0.00 0.00 0.00 46.02 45.48 2xak n GLY 674 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2xak n ASN 675 N -0.09 0.66 -0.23 1.61 3.02 -1.26 -4.61 115.26 114.35 2xak n ASN 675 Ca 0.00 0.21 0.02 0.00 -0.03 0.00 0.00 54.58 54.78 2xak n ASN 675 Cb 0.00 0.77 0.10 0.00 -0.61 0.00 0.00 39.78 40.04 2xak n ASN 675 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 2xak h ASP 676 N 0.00 -0.48 -0.23 6.41 3.32 -1.97 -1.33 116.42 122.14 2xak h ASP 676 Ca 0.00 0.19 -0.19 0.00 0.02 0.00 0.00 57.03 57.05 2xak h ASP 676 Cb 0.97 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.89 2xak h ASP 676 CO 0.00 -0.19 -0.60 1.23 -1.72 0.00 0.00 179.24 177.95 2xak h GLY 677 N 0.05 0.92 0.85 2.75 0.00 -1.76 -1.05 103.07 104.82 2xak h GLY 677 Ca 0.35 -1.12 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2xak h GLY 677 CO -0.66 1.01 -0.06 -1.82 0.00 0.00 0.00 176.54 175.01 2xak h TYR 678 N 0.63 -0.15 -0.71 5.60 3.20 -1.51 -2.38 116.97 121.65 2xak h TYR 678 Ca -0.00 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.94 2xak h TYR 678 Cb 1.21 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 2xak h TYR 678 CO 0.07 0.04 0.47 -0.07 -1.64 0.00 0.00 178.16 177.03 2xak h LEU 679 N -0.31 0.60 -0.60 2.82 3.38 -1.16 0.47 115.31 120.51 2xak h LEU 679 Ca -0.02 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2xak h LEU 679 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2xak h LEU 679 CO 0.03 0.38 0.16 1.56 0.09 0.00 0.00 178.44 180.65 2xak h GLN 680 N 0.68 0.96 -0.48 1.13 4.20 -1.02 -1.33 115.11 119.24 2xak h GLN 680 Ca 0.32 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 2xak h GLN 680 Cb 0.35 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2xak h GLN 680 CO -0.11 0.87 0.02 -0.07 -0.67 0.00 0.00 178.83 178.88 2xak h LEU 681 N 0.87 0.81 -0.73 1.46 3.38 -0.54 -0.33 115.31 120.23 2xak h LEU 681 Ca 0.19 -0.29 0.10 0.00 0.09 0.00 0.00 57.88 57.96 2xak h LEU 681 Cb 0.34 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2xak h LEU 681 CO 0.00 0.90 0.36 0.58 0.09 0.00 0.00 178.44 180.38 2xak h VAL 682 N 0.69 0.83 -0.56 1.22 2.07 -0.87 -0.81 116.25 118.82 2xak h VAL 682 Ca 0.14 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2xak h VAL 682 Cb 0.48 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2xak h VAL 682 CO 0.02 0.11 0.24 1.23 0.02 0.00 0.00 177.57 179.19 2xak h GLY 683 N 0.61 0.89 1.65 2.17 0.00 -0.53 -1.36 103.07 106.50 2xak h GLY 683 Ca 0.36 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 2xak h GLY 683 CO -0.28 0.45 -0.23 -2.22 0.00 0.00 0.00 176.54 174.26 2xak h ILE 684 N 0.77 1.25 -0.40 2.60 2.04 -0.66 -1.99 117.51 121.12 2xak h ILE 684 Ca 0.19 -1.18 -0.05 0.00 1.00 0.00 0.00 64.86 64.82 2xak h ILE 684 Cb 0.18 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2xak h ILE 684 CO -0.02 0.37 0.05 0.24 0.00 0.00 0.00 178.15 178.80 2xak h MET 685 N 0.37 0.67 0.00 2.37 2.86 -0.95 -3.13 114.93 117.13 2xak h MET 685 Ca 0.06 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2xak h MET 685 Cb 0.61 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2xak h MET 685 CO 0.04 0.73 0.00 0.94 1.06 0.00 0.00 176.91 179.68 2xak n GLN 686 N -4.50 0.16 -0.25 1.72 -0.06 -0.53 -1.21 117.38 112.71 2xak n GLN 686 Ca -0.01 0.48 -0.01 0.00 -2.00 0.00 0.00 57.00 55.47 2xak n GLN 686 Cb 0.24 -1.86 0.20 0.00 -4.06 0.00 0.00 30.24 24.77 2xak n GLN 686 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 2xak h LYS 687 N 0.00 1.06 0.00 3.69 3.64 -1.43 -3.26 116.57 120.27 2xak h LYS 687 Ca 0.00 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.14 2xak h LYS 687 Cb 0.22 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2xak h LYS 687 CO 0.00 0.73 -2.08 1.19 -2.27 0.00 0.00 179.45 177.02 2xak n PHE 688 N -4.39 0.00 -2.46 1.91 3.72 -0.35 -4.46 117.46 111.44 2xak n PHE 688 Ca 0.08 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.07 2xak n PHE 688 Cb 0.06 -0.67 -0.04 0.00 -0.94 0.00 0.00 39.48 37.89 2xak n PHE 688 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2xak s ILE 689 N -2.99 3.75 0.03 4.37 -1.09 -0.91 -4.83 121.20 119.54 2xak s ILE 689 Ca -0.08 1.50 -0.22 0.00 -2.23 0.00 0.00 60.65 59.62 2xak s ILE 689 Cb 0.10 -3.96 -0.15 0.00 -1.58 0.00 0.00 42.46 36.87 2xak s ILE 689 CO 0.81 0.25 1.38 0.44 -1.23 0.00 0.00 174.94 176.59 2xak h ASP 690 N 5.15 0.26 0.00 3.58 3.32 -1.88 -3.45 116.42 123.40 2xak h ASP 690 Ca -0.44 -0.42 0.00 0.00 0.02 0.00 0.00 57.03 56.19 2xak h ASP 690 Cb 1.21 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.69 2xak h ASP 690 CO 0.73 0.63 0.00 0.00 -1.72 0.00 0.00 179.24 178.88 2xak n GLN 691 N -4.69 0.00 -2.59 3.56 6.02 -0.34 -4.41 117.38 114.93 2xak n GLN 691 Ca -0.06 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.86 2xak n GLN 691 Cb 0.29 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.53 2xak n GLN 691 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2xak n SER 692 N 0.00 1.29 -4.03 1.08 2.88 -0.13 -4.91 113.62 109.80 2xak n SER 692 Ca 0.00 -1.53 -0.21 0.00 -1.33 0.00 0.00 58.87 55.80 2xak n SER 692 Cb 0.00 0.22 -0.16 0.00 -0.75 0.00 0.00 64.21 63.52 2xak n SER 692 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2xak s ILE 693 N -1.81 0.92 -1.24 2.46 1.01 -1.26 -1.76 121.20 119.52 2xak s ILE 693 Ca 0.04 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.06 2xak s ILE 693 Cb 0.00 -0.81 -0.00 0.00 0.01 0.00 0.00 42.46 41.66 2xak s ILE 693 CO 0.03 0.28 1.89 -1.20 0.00 0.00 0.00 174.94 175.93 2xak n SER 694 N 3.24 3.99 -4.72 3.58 7.64 -0.36 -4.53 113.62 122.47 2xak n SER 694 Ca -0.18 -2.82 -0.38 0.00 1.01 0.00 0.00 58.87 56.50 2xak n SER 694 Cb 0.54 -1.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.01 2xak n SER 694 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2xak s ALA 695 N 6.20 3.46 0.18 -0.43 0.00 -1.26 -4.88 121.76 125.03 2xak s ALA 695 Ca 0.58 -0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.36 2xak s ALA 695 Cb 0.05 -2.67 -0.05 0.00 0.00 0.00 0.00 23.12 20.46 2xak s ALA 695 CO 0.08 -0.00 0.37 -0.80 0.00 0.00 0.00 175.76 175.41 2xak s ASN 696 N 0.63 6.41 0.03 0.00 0.02 -1.26 -4.25 114.94 116.52 2xak s ASN 696 Ca 0.27 0.44 0.02 0.00 -1.02 0.00 0.00 52.86 52.57 2xak s ASN 696 Cb -0.15 -2.03 -0.04 0.00 0.02 0.00 0.00 41.25 39.05 2xak s ASN 696 CO 0.11 -0.00 0.02 0.42 0.02 0.00 0.00 177.10 177.67 2xak s THR 697 N -1.79 4.26 -0.00 1.60 -4.23 -0.59 -4.98 115.64 109.92 2xak s THR 697 Ca 0.39 -0.69 0.02 0.00 -1.18 0.00 0.00 61.69 60.23 2xak s THR 697 Cb -0.11 -2.96 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 2xak s THR 697 CO 0.28 0.27 -0.07 0.20 -0.54 0.00 0.00 174.62 174.76 2xak s ASN 698 N -1.90 0.84 -0.06 3.99 0.01 -1.26 -0.47 114.94 116.09 2xak s ASN 698 Ca 0.23 -0.17 -0.03 0.00 -0.71 0.00 0.00 52.86 52.19 2xak s ASN 698 Cb -0.12 -0.08 0.04 0.00 0.41 0.00 0.00 41.25 41.50 2xak s ASN 698 CO 0.15 0.06 0.13 -0.31 -1.51 0.00 0.00 177.10 175.62 2xak s TYR 699 N -0.27 -0.13 -0.36 2.20 2.02 0.40 -4.69 117.35 116.52 2xak s TYR 699 Ca 0.02 0.46 -0.12 0.00 -0.37 0.00 0.00 57.07 57.06 2xak s TYR 699 Cb -0.03 -0.17 0.01 0.00 -0.40 0.00 0.00 41.96 41.37 2xak s TYR 699 CO -0.00 -0.19 0.22 0.34 -1.57 0.00 0.00 175.55 174.35 2xak s ASP 700 N 1.50 5.83 0.28 2.29 -1.08 -1.26 -1.37 116.67 122.86 2xak s ASP 700 Ca -0.05 -0.78 0.02 0.00 -0.52 0.00 0.00 52.55 51.22 2xak s ASP 700 Cb -0.12 -2.07 0.64 0.00 -1.46 0.00 0.00 42.92 39.91 2xak s ASP 700 CO -0.05 -0.33 1.74 -0.65 0.52 0.00 0.00 175.17 176.40 2xak h PRO 701 N 8.47 0.56 0.00 4.34 0.11 -1.80 -1.89 132.00 141.80 2xak h PRO 701 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.79 2xak h PRO 701 Cb 1.13 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2xak h PRO 701 CO 0.67 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.70 2xak n SER 702 N -4.90 0.00 -0.28 -2.05 3.41 -1.26 -0.14 113.62 108.39 2xak n SER 702 Ca 0.20 -0.44 0.12 0.00 -0.26 0.00 0.00 58.87 58.50 2xak n SER 702 Cb 0.54 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.75 2xak n SER 702 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2xak n ARG 703 N -0.96 0.85 -5.30 4.33 1.74 -0.71 -4.94 116.66 111.66 2xak n ARG 703 Ca 0.09 -0.57 -0.31 0.00 -0.77 0.00 0.00 57.85 56.29 2xak n ARG 703 Cb 0.04 -1.49 -0.16 0.00 -1.02 0.00 0.00 32.46 29.83 2xak n ARG 703 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2xak s PHE 704 N -2.55 2.32 -0.42 -1.55 0.40 0.80 -5.06 117.98 111.93 2xak s PHE 704 Ca 0.21 -0.44 -0.42 0.00 -0.60 0.00 0.00 56.93 55.68 2xak s PHE 704 Cb 0.19 -1.49 -0.17 0.00 0.51 0.00 0.00 43.02 42.05 2xak s PHE 704 CO 0.56 -0.04 1.92 -2.30 0.70 0.00 0.00 175.22 176.05 2xak n PRO 705 N 2.45 0.48 -1.51 0.24 -0.02 -1.26 -0.11 135.00 135.27 2xak n PRO 705 Ca -0.16 0.16 -0.10 0.00 -2.02 0.00 0.00 63.50 61.38 2xak n PRO 705 Cb 0.51 -1.82 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 2xak n PRO 705 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2xak n SER 706 N 6.52 -4.03 0.00 2.55 7.64 -1.26 -3.84 113.62 121.20 2xak n SER 706 Ca 0.39 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.46 2xak n SER 706 Cb 0.04 -2.64 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 2xak n SER 706 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2xak n GLY 707 N -1.56 2.29 3.73 0.23 0.00 0.85 -4.97 105.19 105.76 2xak n GLY 707 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 2xak n GLY 707 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xak s LYS 708 N 0.00 4.50 -0.20 1.61 -2.85 -1.25 -4.41 119.74 117.14 2xak s LYS 708 Ca 0.00 1.76 -0.23 0.00 -1.00 0.00 0.00 55.97 56.50 2xak s LYS 708 Cb 0.00 -3.31 -0.02 0.00 -2.06 0.00 0.00 37.83 32.44 2xak s LYS 708 CO 0.00 -0.12 0.74 0.08 0.10 0.00 0.00 175.35 176.15 2xak s VAL 709 N 0.44 4.94 0.08 1.79 1.01 -1.26 -4.58 120.40 122.81 2xak s VAL 709 Ca 0.54 1.41 -0.31 0.00 0.00 0.00 0.00 61.98 63.63 2xak s VAL 709 Cb -0.30 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 31.97 2xak s VAL 709 CO 0.32 0.04 1.30 -2.16 0.00 0.00 0.00 175.10 174.61 2xak s PRO 710 N 2.18 4.37 0.38 2.72 0.04 -1.26 -4.91 135.00 138.51 2xak s PRO 710 Ca 0.33 1.93 0.18 0.00 0.04 0.00 0.00 61.00 63.48 2xak s PRO 710 Cb -0.16 -3.32 1.12 0.00 0.04 0.00 0.00 34.50 32.18 2xak s PRO 710 CO 0.11 -0.37 1.71 1.98 0.04 0.00 0.00 177.00 180.46 2xak h MET 711 N 6.90 0.34 -0.49 4.56 1.85 -1.99 0.11 114.93 126.21 2xak h MET 711 Ca -0.41 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 58.71 2xak h MET 711 Cb 1.21 -0.08 -0.05 0.00 0.43 0.00 0.00 31.60 33.11 2xak h MET 711 CO 0.85 0.23 0.20 0.37 -0.40 0.00 0.00 176.91 178.15 2xak h GLN 712 N 0.35 0.38 -0.13 0.39 5.75 -2.00 -1.40 115.11 118.46 2xak h GLN 712 Ca 0.68 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 59.04 2xak h GLN 712 Cb 1.70 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 30.15 2xak h GLN 712 CO -0.43 0.25 -0.45 0.37 -2.65 0.00 0.00 178.83 175.92 2xak h GLN 713 N 0.40 0.31 -0.28 1.69 5.75 -1.20 -0.88 115.11 120.91 2xak h GLN 713 Ca 0.23 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 2xak h GLN 713 Cb 0.21 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 2xak h GLN 713 CO -0.21 0.71 0.14 -0.07 -2.65 0.00 0.00 178.83 176.75 2xak h LEU 714 N 0.26 0.36 -0.33 -2.39 3.38 -0.93 -2.78 115.31 112.87 2xak h LEU 714 Ca 0.02 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2xak h LEU 714 Cb 0.90 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2xak h LEU 714 CO 0.07 0.37 -0.53 -0.07 0.09 0.00 0.00 178.44 178.37 2xak h LEU 715 N 0.32 0.95 0.11 1.67 3.38 -1.10 -2.39 115.31 118.25 2xak h LEU 715 Ca 0.10 -0.50 0.02 0.00 0.09 0.00 0.00 57.88 57.58 2xak h LEU 715 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 2xak h LEU 715 CO -0.01 1.30 -0.29 0.50 0.09 0.00 0.00 178.44 180.02 2xak h LYS 716 N 0.66 -0.49 -0.73 1.13 3.64 -1.15 -1.04 116.57 118.60 2xak h LYS 716 Ca 0.02 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 2xak h LYS 716 Cb 1.13 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.95 2xak h LYS 716 CO 0.12 -0.32 0.18 -0.44 -2.27 0.00 0.00 179.45 176.71 2xak h ASP 717 N -0.50 0.02 -0.70 4.20 3.32 -1.46 0.18 116.42 121.48 2xak h ASP 717 Ca 0.03 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2xak h ASP 717 Cb 0.54 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.25 2xak h ASP 717 CO -0.18 -0.03 0.45 0.25 -1.72 0.00 0.00 179.24 178.01 2xak h LEU 718 N 0.27 0.81 0.03 1.55 5.85 -0.87 -0.10 115.31 122.86 2xak h LEU 718 Ca 0.41 -0.03 -0.28 0.00 0.84 0.00 0.00 57.88 58.83 2xak h LEU 718 Cb 0.70 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.55 2xak h LEU 718 CO -0.51 0.60 -1.15 -0.07 -0.34 0.00 0.00 178.44 176.97 2xak h LEU 719 N 0.95 0.76 -0.32 2.25 3.38 0.06 -2.70 115.31 119.69 2xak h LEU 719 Ca 0.26 -0.68 0.07 0.00 0.09 0.00 0.00 57.88 57.62 2xak h LEU 719 Cb -0.09 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 2xak h LEU 719 CO -0.05 1.49 -0.13 0.74 0.09 0.00 0.00 178.44 180.57 2xak h THR 720 N 0.26 0.57 -0.22 0.22 2.02 -0.19 -0.07 112.91 115.51 2xak h THR 720 Ca -0.15 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.09 2xak h THR 720 Cb 1.81 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.72 2xak h THR 720 CO 0.21 0.00 -0.36 0.00 0.37 0.00 0.00 175.52 175.74 2xak h ALA 721 N 1.21 -0.40 -0.57 6.16 0.00 -1.02 -1.90 119.26 122.74 2xak h ALA 721 Ca 0.16 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2xak h ALA 721 Cb 0.32 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2xak h ALA 721 CO -0.37 -0.82 0.26 -0.92 0.00 0.00 0.00 179.25 177.39 2xak h TYR 722 N -0.38 0.46 -0.47 0.00 3.20 -1.08 -1.91 116.97 116.79 2xak h TYR 722 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2xak h TYR 722 Cb 0.57 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2xak h TYR 722 CO -0.48 0.18 0.29 -0.22 -1.64 0.00 0.00 178.16 176.29 2xak h LYS 723 N 0.48 0.63 -0.33 1.82 3.64 -0.63 -2.41 116.57 119.76 2xak h LYS 723 Ca 0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2xak h LYS 723 Cb 0.26 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2xak h LYS 723 CO -0.23 0.43 0.00 1.19 -2.27 0.00 0.00 179.45 178.57 2xak n PHE 724 N -4.45 0.43 -0.60 1.91 3.72 -0.75 -4.63 117.46 113.09 2xak n PHE 724 Ca 0.04 -0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 2xak n PHE 724 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 2xak n PHE 724 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2xak n GLY 725 N 1.27 0.74 3.69 1.37 0.00 -0.91 -4.55 105.19 106.80 2xak n GLY 725 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 2xak n GLY 725 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2xak n VAL 726 N -2.38 0.03 0.01 1.61 0.31 -0.90 -4.93 118.33 112.08 2xak n VAL 726 Ca 0.00 -0.01 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 2xak n VAL 726 Cb 0.00 -1.75 -0.14 0.00 -0.91 0.00 0.00 33.84 31.04 2xak n VAL 726 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2xak h LYS 727 N 6.27 0.18 -4.24 5.55 1.57 -1.89 -3.42 116.57 120.59 2xak h LYS 727 Ca -0.44 -0.31 -0.13 0.00 -1.87 0.00 0.00 60.65 57.90 2xak h LYS 727 Cb 1.23 0.12 -0.15 0.00 0.08 0.00 0.00 32.23 33.50 2xak h LYS 727 CO 0.92 0.97 -0.68 0.95 -0.57 0.00 0.00 179.45 181.03 2xak s THR 728 N -2.58 0.23 0.12 -0.16 -4.23 -1.26 -0.02 115.64 107.74 2xak s THR 728 Ca -0.14 -1.75 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 2xak s THR 728 Cb 0.07 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 2xak s THR 728 CO 0.81 -0.96 -0.10 -0.76 -0.54 0.00 0.00 174.62 173.07 2xak s LEU 729 N -2.82 2.47 0.30 4.79 1.43 -0.26 -4.56 118.68 120.03 2xak s LEU 729 Ca 0.06 -0.91 -0.21 0.00 -1.03 0.00 0.00 54.13 52.03 2xak s LEU 729 Cb 0.07 -0.30 -0.15 0.00 0.03 0.00 0.00 46.19 45.84 2xak s LEU 729 CO -0.09 -0.31 0.21 -1.22 0.23 0.00 0.00 176.35 175.17 2xak n TYR 731 N 0.20 -1.41 -3.78 0.29 4.01 -1.26 -2.39 117.16 112.81 2xak n TYR 731 Ca -0.13 0.67 -0.36 0.00 -0.16 0.00 0.00 57.90 57.92 2xak n TYR 731 Cb 0.59 -1.66 -0.10 0.00 -0.31 0.00 0.00 39.34 37.86 2xak n TYR 731 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2xak s GLN 732 N -0.90 3.98 -0.25 -0.72 0.74 -1.04 -1.54 119.66 119.92 2xak s GLN 732 Ca 0.55 -0.33 -0.10 0.00 0.05 0.00 0.00 55.36 55.54 2xak s GLN 732 Cb -0.66 -3.41 -0.04 0.00 1.10 0.00 0.00 33.01 29.99 2xak s GLN 732 CO 0.55 0.08 0.14 -0.80 -0.55 0.00 0.00 175.29 174.71 2xak s ASN 733 N 0.94 5.81 -0.22 6.67 0.01 0.39 -4.60 114.94 123.93 2xak s ASN 733 Ca 0.06 -0.00 -0.05 0.00 -0.71 0.00 0.00 52.86 52.16 2xak s ASN 733 Cb -0.13 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.46 2xak s ASN 733 CO 0.03 0.02 -0.01 -0.89 -1.51 0.00 0.00 177.10 174.74 2xak s THR 734 N 1.33 3.71 0.40 1.60 2.01 -1.26 -0.45 115.64 122.98 2xak s THR 734 Ca 0.06 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 61.43 2xak s THR 734 Cb -0.15 -2.70 -0.08 0.00 0.01 0.00 0.00 72.50 69.58 2xak s THR 734 CO 0.06 0.40 1.18 -0.60 -0.69 0.00 0.00 174.62 174.98 2xak s ARG 735 N 1.41 4.06 -0.96 4.92 3.52 -0.47 -4.99 118.95 126.44 2xak s ARG 735 Ca 0.05 1.87 -0.12 0.00 -0.13 0.00 0.00 55.73 57.40 2xak s ARG 735 Cb -0.15 -2.69 0.24 0.00 -1.56 0.00 0.00 34.95 30.80 2xak s ARG 735 CO -0.00 -0.33 0.92 0.16 -0.81 0.00 0.00 175.30 175.24 2xak s ASP 736 N -1.09 7.01 0.00 -2.12 1.47 -1.26 -4.54 116.67 116.15 2xak s ASP 736 Ca 0.57 -3.09 0.00 0.00 1.18 0.00 0.00 52.55 51.21 2xak s ASP 736 Cb -0.31 -2.21 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 2xak s ASP 736 CO 0.40 -0.45 0.00 0.61 0.68 0.00 0.00 175.17 176.41