#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oi8 s GLU 27 N 0.00 4.48 0.30 -3.48 2.12 -1.26 -4.99 118.70 115.86 1oi8 s GLU 27 Ca 0.00 1.12 -0.29 0.00 0.36 0.00 0.00 54.97 56.16 1oi8 s GLU 27 Cb 0.00 -3.46 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 1oi8 s GLU 27 CO 0.00 -0.02 1.38 -1.14 -0.54 0.00 0.00 175.26 174.94 1oi8 s GLN 28 N 1.00 4.29 0.00 4.30 2.00 -1.26 -2.73 119.66 127.27 1oi8 s GLN 28 Ca 0.44 2.28 0.00 0.00 -2.00 0.00 0.00 55.36 56.08 1oi8 s GLN 28 Cb -0.19 -3.08 0.00 0.00 0.80 0.00 0.00 33.01 30.54 1oi8 s GLN 28 CO 0.22 -0.32 0.00 -0.25 -0.50 0.00 0.00 175.29 174.43 1oi8 n ASP 29 N 1.49 0.00 -4.74 6.67 8.00 -1.26 -4.97 116.55 121.73 1oi8 n ASP 29 Ca 0.03 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.13 1oi8 n ASP 29 Cb 0.41 -1.93 -0.05 0.00 -0.02 0.00 0.00 41.12 39.52 1oi8 n ASP 29 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1oi8 s LYS 30 N -0.67 4.79 -0.27 -1.24 2.20 -1.10 -4.95 119.74 118.50 1oi8 s LYS 30 Ca 0.00 1.52 -0.12 0.00 -0.36 0.00 0.00 55.97 57.01 1oi8 s LYS 30 Cb 0.00 -3.30 -0.05 0.00 -1.51 0.00 0.00 37.83 32.98 1oi8 s LYS 30 CO 0.00 0.40 0.26 0.99 -0.36 0.00 0.00 175.35 176.63 1oi8 s THR 31 N -0.85 5.27 -0.13 3.43 2.01 -1.26 -4.43 115.64 119.67 1oi8 s THR 31 Ca 0.43 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.72 1oi8 s THR 31 Cb -0.26 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1oi8 s THR 31 CO 0.32 0.24 0.01 -0.31 -0.69 0.00 0.00 174.62 174.19 1oi8 s TYR 32 N 1.72 3.16 -0.26 4.92 1.51 0.16 -4.92 117.35 123.63 1oi8 s TYR 32 Ca 0.10 0.04 -0.20 0.00 -1.01 0.00 0.00 57.07 56.01 1oi8 s TYR 32 Cb -0.15 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1oi8 s TYR 32 CO 0.09 0.27 0.60 0.15 -1.11 0.00 0.00 175.55 175.55 1oi8 s LYS 33 N -0.25 4.09 -0.08 -0.62 1.02 -1.26 -0.23 119.74 122.41 1oi8 s LYS 33 Ca 0.06 0.48 0.01 0.00 0.02 0.00 0.00 55.97 56.53 1oi8 s LYS 33 Cb -0.12 -3.65 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1oi8 s LYS 33 CO 0.02 -0.40 -0.07 0.42 -0.92 0.00 0.00 175.35 174.40 1oi8 s ILE 34 N 2.45 0.86 -0.17 2.17 1.01 -0.65 -2.00 121.20 124.88 1oi8 s ILE 34 Ca 0.25 -0.25 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 1oi8 s ILE 34 Cb -0.16 -0.87 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 1oi8 s ILE 34 CO 0.09 0.32 -0.01 -0.89 0.00 0.00 0.00 174.94 174.44 1oi8 s THR 35 N 1.27 4.05 -0.23 2.92 2.01 0.38 -1.09 115.64 124.95 1oi8 s THR 35 Ca -0.04 -0.30 -0.07 0.00 0.31 0.00 0.00 61.69 61.59 1oi8 s THR 35 Cb -0.14 -2.79 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1oi8 s THR 35 CO -0.03 0.48 0.05 -0.69 -0.69 0.00 0.00 174.62 173.74 1oi8 s VAL 36 N 0.47 4.25 -0.01 3.82 1.01 -0.01 -1.49 120.40 128.43 1oi8 s VAL 36 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 1oi8 s VAL 36 Cb -0.14 -2.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1oi8 s VAL 36 CO 0.02 0.37 0.08 -0.76 0.00 0.00 0.00 175.10 174.81 1oi8 s LEU 37 N 1.41 3.92 -0.07 3.92 1.43 -0.54 -0.40 118.68 128.35 1oi8 s LEU 37 Ca 0.05 0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 53.09 1oi8 s LEU 37 Cb -0.15 -2.26 0.05 0.00 0.03 0.00 0.00 46.19 43.86 1oi8 s LEU 37 CO 0.03 0.28 0.53 -1.38 0.23 0.00 0.00 176.35 176.04 1oi8 s HIS 38 N -1.18 -0.49 0.27 0.29 -3.43 -0.63 -1.39 115.29 108.74 1oi8 s HIS 38 Ca 0.22 0.92 0.03 0.00 -0.80 0.00 0.00 55.06 55.43 1oi8 s HIS 38 Cb -0.12 0.26 -0.03 0.00 -1.43 0.00 0.00 32.58 31.26 1oi8 s HIS 38 CO 0.13 -0.47 0.22 0.95 -2.00 0.00 0.00 174.74 173.58 1oi8 s THR 39 N -0.91 0.00 0.08 -5.38 -4.23 -0.85 -0.68 115.64 103.67 1oi8 s THR 39 Ca -0.09 -1.98 -0.26 0.00 -1.18 0.00 0.00 61.69 58.17 1oi8 s THR 39 Cb -0.03 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.40 1oi8 s THR 39 CO 0.06 0.00 0.80 0.54 -0.54 0.00 0.00 174.62 175.48 1oi8 s ASN 40 N -3.27 -0.40 -1.43 3.99 4.22 -1.26 -0.76 114.94 116.03 1oi8 s ASN 40 Ca 0.39 -0.09 -0.05 0.00 -2.14 0.00 0.00 52.86 50.97 1oi8 s ASN 40 Cb 0.04 0.48 0.04 0.00 1.28 0.00 0.00 41.25 43.09 1oi8 s ASN 40 CO 0.20 -0.80 0.70 0.47 -2.04 0.00 0.00 177.10 175.63 1oi8 n ASP 41 N -0.33 -2.08 -0.16 3.54 8.00 0.17 -3.61 116.55 122.08 1oi8 n ASP 41 Ca -0.11 -0.88 -0.04 0.00 0.71 0.00 0.00 54.79 54.47 1oi8 n ASP 41 Cb 0.62 -3.60 0.05 0.00 -0.02 0.00 0.00 41.12 38.17 1oi8 n ASP 41 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1oi8 h HIS 42 N -1.88 0.43 -6.11 1.24 -0.00 -1.49 0.08 115.15 107.42 1oi8 h HIS 42 Ca -0.61 0.02 -0.42 0.00 -0.00 0.00 0.00 60.37 59.36 1oi8 h HIS 42 Cb 1.37 -0.12 0.05 0.00 -0.00 0.00 0.00 27.41 28.71 1oi8 h HIS 42 CO 0.52 0.19 -0.83 0.72 -0.00 0.00 0.00 177.93 178.53 1oi8 n HIS 43 N -4.92 -1.92 -1.00 5.26 8.25 -0.25 -2.46 115.22 118.18 1oi8 n HIS 43 Ca 0.04 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 1oi8 n HIS 43 Cb 0.15 -4.36 0.00 0.00 1.12 0.00 0.00 29.99 26.90 1oi8 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1oi8 n GLY 44 N -1.59 0.53 2.28 -1.41 0.00 -0.09 -3.69 105.19 101.21 1oi8 n GLY 44 Ca -0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1oi8 n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oi8 n HIS 45 N -2.89 1.19 0.15 1.61 8.25 -1.03 -4.55 115.22 117.96 1oi8 n HIS 45 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 57.72 55.47 1oi8 n HIS 45 Cb 0.01 -1.64 0.33 0.00 1.12 0.00 0.00 29.99 29.81 1oi8 n HIS 45 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1oi8 h PHE 46 N 3.41 0.13 -2.62 4.41 -5.15 -1.92 -3.37 116.94 111.83 1oi8 h PHE 46 Ca 0.41 -0.03 -0.56 0.00 -0.20 0.00 0.00 57.97 57.59 1oi8 h PHE 46 Cb 0.93 -0.03 -0.06 0.00 0.22 0.00 0.00 35.95 37.00 1oi8 h PHE 46 CO 1.65 0.44 -0.55 -0.46 -2.00 0.00 0.00 178.31 177.39 1oi8 s TRP 47 N -4.29 3.18 0.77 6.09 -0.11 -1.26 -1.40 118.94 121.92 1oi8 s TRP 47 Ca -0.04 -0.02 -0.14 0.00 1.22 0.00 0.00 56.10 57.13 1oi8 s TRP 47 Cb 0.14 -1.51 0.06 0.00 -1.50 0.00 0.00 33.47 30.66 1oi8 s TRP 47 CO 0.74 0.52 1.20 -0.98 -4.62 0.00 0.00 176.95 173.81 1oi8 s ARG 48 N -3.22 1.92 0.71 5.86 1.70 -1.26 -4.08 118.95 120.58 1oi8 s ARG 48 Ca 0.32 1.74 -0.10 0.00 -0.47 0.00 0.00 55.73 57.21 1oi8 s ARG 48 Cb -0.10 -1.81 0.16 0.00 -0.57 0.00 0.00 34.95 32.63 1oi8 s ARG 48 CO 0.24 -2.00 0.97 0.27 -1.08 0.00 0.00 175.30 173.70 1oi8 n ASN 49 N -3.01 0.24 0.06 -2.89 6.94 -0.44 -4.85 115.26 111.31 1oi8 n ASN 49 Ca 0.13 -1.45 0.07 0.00 -0.02 0.00 0.00 54.58 53.31 1oi8 n ASN 49 Cb 0.50 -0.72 0.31 0.00 -2.36 0.00 0.00 39.78 37.51 1oi8 n ASN 49 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1oi8 n GLU 50 N -3.01 0.07 -0.28 -3.83 0.28 -1.26 -1.77 120.64 110.84 1oi8 n GLU 50 Ca 0.13 0.44 0.07 0.00 -0.16 0.00 0.00 57.16 57.63 1oi8 n GLU 50 Cb 0.44 -1.66 0.21 0.00 1.43 0.00 0.00 31.44 31.86 1oi8 n GLU 50 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1oi8 n TYR 51 N -1.80 0.69 -1.02 -1.84 4.01 -1.26 -4.96 117.16 110.98 1oi8 n TYR 51 Ca 0.01 -0.56 -0.01 0.00 -0.16 0.00 0.00 57.90 57.19 1oi8 n TYR 51 Cb 0.10 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1oi8 n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oi8 n GLY 52 N 0.59 0.46 3.83 2.72 0.00 -0.73 -5.03 105.19 107.03 1oi8 n GLY 52 Ca 0.16 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1oi8 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 53 N -0.65 4.16 3.47 1.61 2.02 -1.26 -4.78 118.70 123.26 1oi8 s GLU 53 Ca 0.00 0.86 0.00 0.00 0.02 0.00 0.00 54.97 55.85 1oi8 s GLU 53 Cb 0.00 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.71 1oi8 s GLU 53 CO 0.00 0.19 0.00 2.48 0.02 0.00 0.00 175.26 177.95 1oi8 n TYR 54 N -0.08 0.00 0.00 1.61 0.18 -0.23 -1.33 117.16 117.31 1oi8 n TYR 54 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 1oi8 n TYR 54 Cb 0.53 0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.52 1oi8 n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1oi8 n GLY 55 N 0.00 -1.50 0.17 -7.48 0.00 -1.26 -4.25 105.19 90.87 1oi8 n GLY 55 Ca 0.00 -1.55 0.05 0.00 0.00 0.00 0.00 46.02 44.52 1oi8 n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oi8 h LEU 56 N 0.00 0.00 -0.33 0.99 3.38 -1.39 -2.47 115.31 115.49 1oi8 h LEU 56 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1oi8 h LEU 56 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1oi8 h LEU 56 CO 0.00 0.40 -0.03 0.00 0.09 0.00 0.00 178.44 178.91 1oi8 h ALA 57 N 1.60 0.44 -0.45 1.53 0.00 -1.87 0.13 119.26 120.64 1oi8 h ALA 57 Ca -0.00 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1oi8 h ALA 57 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1oi8 h ALA 57 CO 0.05 0.23 -0.18 0.00 0.00 0.00 0.00 179.25 179.35 1oi8 h ALA 58 N 0.83 0.83 -0.76 0.00 0.00 -1.76 -1.62 119.26 116.78 1oi8 h ALA 58 Ca 0.09 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1oi8 h ALA 58 Cb 0.49 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1oi8 h ALA 58 CO 0.02 0.65 0.42 0.37 0.00 0.00 0.00 179.25 180.71 1oi8 h GLN 59 N 0.78 0.71 -0.26 0.00 4.15 -1.17 -1.64 115.11 117.67 1oi8 h GLN 59 Ca 0.11 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1oi8 h GLN 59 Cb 0.71 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 1oi8 h GLN 59 CO 0.05 0.47 0.08 -0.22 -1.93 0.00 0.00 178.83 177.28 1oi8 h LYS 60 N 0.73 0.41 -0.56 1.69 1.63 -0.76 0.75 116.57 120.45 1oi8 h LYS 60 Ca 0.36 -0.09 0.06 0.00 -0.85 0.00 0.00 60.65 60.13 1oi8 h LYS 60 Cb 0.31 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.83 1oi8 h LYS 60 CO -0.23 0.47 0.28 1.15 -3.45 0.00 0.00 179.45 177.67 1oi8 h THR 61 N 0.26 0.93 0.15 1.00 2.02 -1.16 0.43 112.91 116.53 1oi8 h THR 61 Ca 0.08 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1oi8 h THR 61 Cb 0.24 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1oi8 h THR 61 CO -0.00 0.10 -0.07 0.25 0.37 0.00 0.00 175.52 176.16 1oi8 h LEU 62 N 0.53 -0.17 -0.49 2.58 5.85 -0.92 -2.29 115.31 120.41 1oi8 h LEU 62 Ca 0.26 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.87 1oi8 h LEU 62 Cb 0.19 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1oi8 h LEU 62 CO -0.19 0.02 0.30 0.58 -0.34 0.00 0.00 178.44 178.82 1oi8 h VAL 63 N -0.35 1.08 -0.82 1.05 2.07 -0.67 -0.96 116.25 117.66 1oi8 h VAL 63 Ca -0.02 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.36 1oi8 h VAL 63 Cb 0.28 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 30.40 1oi8 h VAL 63 CO 0.03 0.11 0.50 0.44 0.02 0.00 0.00 177.57 178.67 1oi8 h ASP 64 N 0.61 0.77 -0.39 0.57 3.32 -0.86 -0.17 116.42 120.27 1oi8 h ASP 64 Ca 0.19 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1oi8 h ASP 64 Cb -0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1oi8 h ASP 64 CO -0.07 0.49 0.24 1.23 -1.72 0.00 0.00 179.24 179.41 1oi8 h GLY 65 N 0.90 0.55 1.15 2.75 0.00 -1.03 -0.71 103.07 106.68 1oi8 h GLY 65 Ca 0.36 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1oi8 h GLY 65 CO -0.18 0.17 0.44 -2.22 0.00 0.00 0.00 176.54 174.75 1oi8 h ILE 66 N 0.50 1.23 -0.65 2.60 2.04 -0.62 -1.54 117.51 121.08 1oi8 h ILE 66 Ca 0.15 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.34 1oi8 h ILE 66 Cb -0.02 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 1oi8 h ILE 66 CO -0.05 0.26 0.06 0.03 0.00 0.00 0.00 178.15 178.45 1oi8 h ARG 67 N 1.12 1.09 0.00 2.37 3.08 -0.51 0.50 114.38 122.04 1oi8 h ARG 67 Ca 0.28 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1oi8 h ARG 67 Cb 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1oi8 h ARG 67 CO -0.05 1.03 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.66 1oi8 h LYS 68 N 1.01 -0.01 -0.42 0.04 3.64 -0.92 -0.72 116.57 119.20 1oi8 h LYS 68 Ca 0.19 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 1oi8 h LYS 68 Cb 0.49 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1oi8 h LYS 68 CO 0.02 0.22 0.12 1.49 -2.27 0.00 0.00 179.45 179.03 1oi8 h GLU 69 N -0.24 0.26 -0.28 1.90 4.81 -1.04 -2.00 114.58 117.99 1oi8 h GLU 69 Ca -0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.14 1oi8 h GLU 69 Cb 0.23 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1oi8 h GLU 69 CO 0.00 0.17 -0.13 0.28 -0.73 0.00 0.00 179.01 178.60 1oi8 h VAL 70 N 0.26 1.29 -0.83 0.32 2.07 -0.82 -2.91 116.25 115.64 1oi8 h VAL 70 Ca 0.20 -1.22 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1oi8 h VAL 70 Cb 0.22 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1oi8 h VAL 70 CO -0.23 0.39 0.55 0.00 0.02 0.00 0.00 177.57 178.29 1oi8 h ALA 71 N 0.75 1.43 -0.15 1.67 0.00 -1.01 -0.48 119.26 121.47 1oi8 h ALA 71 Ca 0.06 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1oi8 h ALA 71 Cb 0.64 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1oi8 h ALA 71 CO 0.04 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.70 1oi8 h ALA 72 N 1.49 1.54 -0.10 0.00 0.00 -1.22 -1.12 119.26 119.86 1oi8 h ALA 72 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1oi8 h ALA 72 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1oi8 h ALA 72 CO -0.07 0.33 0.00 -1.91 0.00 0.00 0.00 179.25 177.60 1oi8 n GLU 73 N -4.30 1.47 -0.73 0.00 4.07 -0.94 -4.94 120.64 115.28 1oi8 n GLU 73 Ca -0.01 -0.70 0.00 0.00 -0.06 0.00 0.00 57.16 56.39 1oi8 n GLU 73 Cb 0.25 -1.37 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 1oi8 n GLU 73 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1oi8 n GLY 74 N 1.02 0.65 2.73 8.31 0.00 -0.42 -5.00 105.19 112.48 1oi8 n GLY 74 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 1oi8 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 75 N -2.69 0.56 3.29 -0.02 0.00 -0.23 -4.74 105.19 101.36 1oi8 n GLY 75 Ca 0.00 -1.99 -0.19 0.00 0.00 0.00 0.00 46.02 43.84 1oi8 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oi8 s SER 76 N -3.90 2.32 -0.02 1.61 0.01 -0.85 -4.31 113.70 108.56 1oi8 s SER 76 Ca 0.47 -0.89 0.05 0.00 1.31 0.00 0.00 55.95 56.89 1oi8 s SER 76 Cb -0.03 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.09 1oi8 s SER 76 CO 0.31 -0.13 -0.17 -0.69 0.41 0.00 0.00 173.24 172.97 1oi8 s VAL 77 N -2.39 1.40 -0.07 3.43 1.01 -1.26 -0.47 120.40 122.05 1oi8 s VAL 77 Ca 0.15 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1oi8 s VAL 77 Cb -0.04 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1oi8 s VAL 77 CO 0.05 0.40 -0.15 -0.22 0.00 0.00 0.00 175.10 175.17 1oi8 s LEU 78 N -0.28 1.78 -0.12 3.92 0.20 -0.56 -4.98 118.68 118.65 1oi8 s LEU 78 Ca 0.04 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.53 1oi8 s LEU 78 Cb -0.08 -0.96 0.01 0.00 -0.43 0.00 0.00 46.19 44.73 1oi8 s LEU 78 CO 0.00 0.08 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.71 1oi8 s LEU 79 N 0.48 2.03 0.08 -0.68 2.96 -1.26 -1.47 118.68 120.82 1oi8 s LEU 79 Ca -0.13 -0.55 0.05 0.00 -0.22 0.00 0.00 54.13 53.28 1oi8 s LEU 79 Cb -0.15 -1.36 -0.03 0.00 0.50 0.00 0.00 46.19 45.15 1oi8 s LEU 79 CO 0.04 0.09 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.26 1oi8 s LEU 80 N 0.70 2.30 0.01 -0.68 1.43 -0.48 -0.54 118.68 121.42 1oi8 s LEU 80 Ca -0.11 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1oi8 s LEU 80 Cb -0.16 -0.54 -0.02 0.00 0.03 0.00 0.00 46.19 45.49 1oi8 s LEU 80 CO 0.01 -0.08 -0.25 -0.55 0.23 0.00 0.00 176.35 175.71 1oi8 s SER 81 N -1.88 3.20 -0.04 2.29 0.15 -0.77 -2.00 113.70 114.66 1oi8 s SER 81 Ca 0.00 -0.50 0.10 0.00 0.70 0.00 0.00 55.95 56.25 1oi8 s SER 81 Cb -0.09 -0.37 0.35 0.00 -1.71 0.00 0.00 66.02 64.20 1oi8 s SER 81 CO 0.02 0.29 1.22 0.61 1.20 0.00 0.00 173.24 176.59 1oi8 n GLY 82 N 2.11 1.19 3.68 9.45 0.00 0.06 -1.80 105.19 119.87 1oi8 n GLY 82 Ca -0.16 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1oi8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 83 N 0.84 -1.94 3.07 -0.02 0.00 -1.19 -4.19 105.19 101.77 1oi8 n GLY 83 Ca 0.13 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 1oi8 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oi8 n ASP 84 N 0.51 -6.20 0.05 1.61 9.92 -1.26 0.44 116.55 121.62 1oi8 n ASP 84 Ca 0.00 -0.64 -0.21 0.00 -0.53 0.00 0.00 54.79 53.42 1oi8 n ASP 84 Cb 0.00 -4.75 -0.15 0.00 -0.64 0.00 0.00 41.12 35.59 1oi8 n ASP 84 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1oi8 h ILE 85 N -0.96 1.42 -3.98 0.53 1.08 -1.92 -0.45 117.51 113.22 1oi8 h ILE 85 Ca -0.55 -2.52 -0.52 0.00 -0.39 0.00 0.00 64.86 60.88 1oi8 h ILE 85 Cb 1.28 3.11 0.08 0.00 -3.07 0.00 0.00 36.82 38.22 1oi8 h ILE 85 CO 0.40 0.72 0.54 0.20 -0.69 0.00 0.00 178.15 179.32 1oi8 s ASN 86 N -7.02 6.14 0.00 1.72 0.01 -1.26 -0.92 114.94 113.62 1oi8 s ASN 86 Ca -0.14 2.48 0.00 0.00 -0.71 0.00 0.00 52.86 54.49 1oi8 s ASN 86 Cb 0.02 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1oi8 s ASN 86 CO 0.83 -0.95 0.00 0.41 -1.51 0.00 0.00 177.10 175.88 1oi8 n THR 87 N -0.28 -1.28 0.00 1.60 -1.04 -1.26 -4.57 114.28 107.45 1oi8 n THR 87 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1oi8 n THR 87 Cb 0.46 -1.28 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1oi8 n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1oi8 n GLY 88 N 0.73 0.68 2.76 3.41 0.00 -1.21 -4.32 105.19 107.23 1oi8 n GLY 88 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1oi8 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oi8 s VAL 89 N 0.00 -0.21 0.39 1.61 1.01 -1.24 -4.89 120.40 117.06 1oi8 s VAL 89 Ca 0.00 0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.31 1oi8 s VAL 89 Cb 0.00 -0.35 0.31 0.00 0.00 0.00 0.00 36.38 36.33 1oi8 s VAL 89 CO 0.00 0.05 1.97 0.00 0.00 0.00 0.00 175.10 177.12 1oi8 h GLU 91 N 0.61 0.86 0.08 0.00 3.07 -1.93 -0.43 114.58 116.85 1oi8 h GLU 91 Ca 0.30 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1oi8 h GLU 91 Cb 0.37 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1oi8 h GLU 91 CO -0.10 0.57 -0.04 1.03 -1.40 0.00 0.00 179.01 179.08 1oi8 h SER 92 N 0.89 -0.09 -0.81 1.42 0.87 -1.01 -3.30 113.55 111.53 1oi8 h SER 92 Ca 0.31 -0.51 0.09 0.00 -1.23 0.00 0.00 61.79 60.44 1oi8 h SER 92 Cb 0.11 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 62.03 1oi8 h SER 92 CO -0.10 0.53 0.47 0.44 -0.53 0.00 0.00 176.83 177.64 1oi8 h ASP 93 N -0.78 0.68 -0.81 6.23 3.32 -0.86 -0.46 116.42 123.72 1oi8 h ASP 93 Ca -0.01 0.04 0.09 0.00 0.02 0.00 0.00 57.03 57.17 1oi8 h ASP 93 Cb 0.60 -0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 1oi8 h ASP 93 CO 0.02 0.40 0.53 0.25 -1.72 0.00 0.00 179.24 178.72 1oi8 h LEU 94 N 0.80 0.71 -3.49 1.55 6.46 -1.22 -2.63 115.31 117.49 1oi8 h LEU 94 Ca 0.38 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.16 1oi8 h LEU 94 Cb 0.32 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.11 1oi8 h LEU 94 CO -0.23 0.43 0.00 0.00 -0.62 0.00 0.00 178.44 178.02 1oi8 n GLN 95 N -4.50 4.73 -4.09 1.25 6.02 -0.25 -4.95 117.38 115.58 1oi8 n GLN 95 Ca 0.13 -3.12 -0.33 0.00 -0.01 0.00 0.00 57.00 53.67 1oi8 n GLN 95 Cb 0.29 -2.21 -0.01 0.00 1.02 0.00 0.00 30.24 29.33 1oi8 n GLN 95 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1oi8 n ASP 96 N 0.73 -3.18 -1.65 1.08 8.00 -0.97 -1.97 116.55 118.59 1oi8 n ASP 96 Ca 0.28 -0.95 -0.18 0.00 0.71 0.00 0.00 54.79 54.65 1oi8 n ASP 96 Cb 1.15 -3.13 -0.07 0.00 -0.02 0.00 0.00 41.12 39.05 1oi8 n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oi8 n ALA 97 N -4.47 -0.33 -0.02 2.24 0.00 -0.79 -4.91 120.51 112.23 1oi8 n ALA 97 Ca -0.00 0.28 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1oi8 n ALA 97 Cb 0.54 -1.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.09 1oi8 n ALA 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1oi8 h GLU 98 N 0.00 -0.29 -0.86 0.00 4.81 -1.65 -1.52 114.58 115.07 1oi8 h GLU 98 Ca -0.39 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1oi8 h GLU 98 Cb 1.22 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1oi8 h GLU 98 CO 0.55 -0.19 0.56 -1.00 -0.73 0.00 0.00 179.01 178.20 1oi8 h PRO 99 N -0.30 0.58 -0.03 0.92 0.13 -1.91 -1.47 132.00 129.93 1oi8 h PRO 99 Ca 0.12 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1oi8 h PRO 99 Cb 0.48 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 1oi8 h PRO 99 CO -0.35 0.39 -0.04 -0.44 -0.23 0.00 0.00 178.00 177.32 1oi8 h ASP 100 N 0.60 0.09 -0.63 1.44 5.19 -1.78 0.11 116.42 121.45 1oi8 h ASP 100 Ca 0.43 -0.52 -0.08 0.00 -0.62 0.00 0.00 57.03 56.24 1oi8 h ASP 100 Cb 0.78 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.24 1oi8 h ASP 100 CO -0.18 0.59 0.08 -0.26 -3.12 0.00 0.00 179.24 176.35 1oi8 h PHE 101 N -0.40 1.13 -0.51 4.55 0.04 -1.04 -0.14 116.94 120.57 1oi8 h PHE 101 Ca 0.00 -0.17 -0.12 0.00 2.80 0.00 0.00 57.97 60.48 1oi8 h PHE 101 Cb 0.57 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 1oi8 h PHE 101 CO 0.10 0.97 -0.16 0.00 -0.60 0.00 0.00 178.31 178.63 1oi8 h ARG 102 N 0.97 1.01 -0.71 1.51 3.08 -1.24 -1.97 114.38 117.03 1oi8 h ARG 102 Ca 0.19 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1oi8 h ARG 102 Cb 0.47 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 1oi8 h ARG 102 CO 0.02 1.08 0.47 0.78 -1.07 0.00 0.00 179.97 181.24 1oi8 h GLY 103 N 0.91 1.00 1.93 0.04 0.00 -0.53 -2.35 103.07 104.07 1oi8 h GLY 103 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1oi8 h GLY 103 CO 0.06 0.35 -0.06 -0.33 0.00 0.00 0.00 176.54 176.56 1oi8 h MET 104 N 0.94 0.09 -0.53 4.80 2.86 -0.57 0.15 114.93 122.68 1oi8 h MET 104 Ca 0.26 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1oi8 h MET 104 Cb -0.09 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 1oi8 h MET 104 CO -0.07 0.16 0.27 -0.91 1.06 0.00 0.00 176.91 177.43 1oi8 h ASN 105 N 0.09 0.68 0.11 1.22 2.35 -0.83 -0.56 115.58 118.64 1oi8 h ASN 105 Ca 0.02 -0.11 -0.18 0.00 -0.55 0.00 0.00 56.30 55.48 1oi8 h ASN 105 Cb 0.17 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1oi8 h ASN 105 CO 0.01 0.60 -0.65 0.25 -1.65 0.00 0.00 177.43 175.99 1oi8 h LEU 106 N 0.71 0.59 -1.40 1.61 5.85 -0.93 -2.44 115.31 119.31 1oi8 h LEU 106 Ca 0.19 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1oi8 h LEU 106 Cb 0.09 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1oi8 h LEU 106 CO -0.03 1.09 -0.13 0.58 -0.34 0.00 0.00 178.44 179.61 1oi8 h VAL 107 N 0.37 1.18 -0.16 1.05 2.07 -0.84 -3.47 116.25 116.45 1oi8 h VAL 107 Ca -0.02 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1oi8 h VAL 107 Cb 1.22 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1oi8 h VAL 107 CO 0.12 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1oi8 n GLY 108 N -0.88 0.97 3.72 2.17 0.00 -0.27 -4.88 105.19 106.04 1oi8 n GLY 108 Ca -0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1oi8 n GLY 108 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oi8 n TYR 109 N -0.39 2.53 -0.03 1.61 4.02 -0.90 -4.74 117.16 119.26 1oi8 n TYR 109 Ca 0.00 0.50 -0.05 0.00 -0.01 0.00 0.00 57.90 58.34 1oi8 n TYR 109 Cb 0.08 -2.46 -0.13 0.00 -0.02 0.00 0.00 39.34 36.80 1oi8 n TYR 109 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1oi8 n ASP 110 N 0.81 0.51 -3.65 7.72 8.00 0.30 -4.64 116.55 125.60 1oi8 n ASP 110 Ca 0.04 0.24 -0.03 0.00 0.71 0.00 0.00 54.79 55.75 1oi8 n ASP 110 Cb 0.37 0.50 -0.01 0.00 -0.02 0.00 0.00 41.12 41.95 1oi8 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oi8 s ALA 111 N -2.72 -1.88 -0.06 2.24 0.00 -1.22 -4.18 121.76 113.93 1oi8 s ALA 111 Ca -0.06 0.62 -0.10 0.00 0.00 0.00 0.00 51.96 52.42 1oi8 s ALA 111 Cb 0.08 0.44 0.02 0.00 0.00 0.00 0.00 23.12 23.66 1oi8 s ALA 111 CO 0.83 -0.92 0.25 1.41 0.00 0.00 0.00 175.76 177.33 1oi8 s MET 112 N -2.93 0.41 0.20 0.00 0.00 -0.68 -1.84 119.30 114.46 1oi8 s MET 112 Ca 0.11 0.12 -0.30 0.00 0.00 0.00 0.00 55.69 55.62 1oi8 s MET 112 Cb 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 34.83 34.94 1oi8 s MET 112 CO -0.02 -0.08 1.00 0.00 0.00 0.00 0.00 175.02 175.92 1oi8 s ALA 113 N -0.41 3.33 -0.01 4.11 0.00 -0.75 0.49 121.76 128.53 1oi8 s ALA 113 Ca -0.05 0.69 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 1oi8 s ALA 113 Cb -0.03 -3.27 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 1oi8 s ALA 113 CO 0.01 0.01 1.39 0.42 0.00 0.00 0.00 175.76 177.60 1oi8 s ILE 114 N -0.71 3.75 0.62 0.00 1.01 -0.75 -3.18 121.20 121.94 1oi8 s ILE 114 Ca 0.45 1.12 0.01 0.00 0.00 0.00 0.00 60.65 62.23 1oi8 s ILE 114 Cb -0.27 -3.72 0.08 0.00 0.01 0.00 0.00 42.46 38.56 1oi8 s ILE 114 CO 0.33 -0.01 0.87 -0.83 0.00 0.00 0.00 174.94 175.30 1oi8 s GLY 115 N 1.90 1.79 0.32 6.18 0.00 -1.26 -4.50 107.32 111.75 1oi8 s GLY 115 Ca 0.63 -1.60 0.05 0.00 0.00 0.00 0.00 44.72 43.81 1oi8 s GLY 115 CO 0.26 -1.18 1.79 3.45 0.00 0.00 0.00 173.10 177.42 1oi8 h ASN 116 N -0.16 0.38 0.61 1.64 -1.07 -1.93 -2.40 115.58 112.66 1oi8 h ASN 116 Ca -0.38 -0.11 0.00 0.00 0.07 0.00 0.00 56.30 55.88 1oi8 h ASN 116 Cb 1.28 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.43 1oi8 h ASN 116 CO 0.45 0.60 0.00 1.41 0.07 0.00 0.00 177.43 179.97 1oi8 n HIS 117 N -4.17 0.00 0.49 4.14 8.25 -1.26 -1.03 115.22 121.64 1oi8 n HIS 117 Ca -0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.54 1oi8 n HIS 117 Cb 0.36 -0.44 0.37 0.00 1.12 0.00 0.00 29.99 31.40 1oi8 n HIS 117 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1oi8 n GLU 118 N -1.44 0.06 -0.64 -0.41 4.71 -0.90 -2.11 120.64 119.91 1oi8 n GLU 118 Ca 0.06 0.29 0.09 0.00 -0.01 0.00 0.00 57.16 57.59 1oi8 n GLU 118 Cb 0.22 -1.61 0.37 0.00 -1.01 0.00 0.00 31.44 29.40 1oi8 n GLU 118 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1oi8 n PHE 119 N -1.72 1.55 0.24 -0.32 3.72 -0.20 -4.24 117.46 116.49 1oi8 n PHE 119 Ca 0.03 -0.62 0.13 0.00 -0.05 0.00 0.00 57.45 56.94 1oi8 n PHE 119 Cb 0.20 -0.27 0.46 0.00 -0.94 0.00 0.00 39.48 38.94 1oi8 n PHE 119 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1oi8 h ASP 120 N 4.12 0.00 -2.20 4.37 3.32 -1.55 -3.44 116.42 121.04 1oi8 h ASP 120 Ca 0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1oi8 h ASP 120 Cb 1.50 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.95 1oi8 h ASP 120 CO 0.25 0.09 -0.67 0.20 -1.72 0.00 0.00 179.24 177.40 1oi8 s ASN 121 N -6.00 4.36 0.84 6.45 0.01 -1.26 -5.05 114.94 114.29 1oi8 s ASN 121 Ca 0.02 -0.72 -0.14 0.00 -0.71 0.00 0.00 52.86 51.31 1oi8 s ASN 121 Cb 0.08 -0.74 0.05 0.00 0.41 0.00 0.00 41.25 41.06 1oi8 s ASN 121 CO 0.61 0.00 0.84 -2.65 -1.51 0.00 0.00 177.10 174.39 1oi8 n PRO 122 N -0.85 0.03 -0.08 -0.60 -0.02 -1.26 -4.78 135.00 127.44 1oi8 n PRO 122 Ca -0.06 0.07 0.04 0.00 -2.02 0.00 0.00 63.50 61.53 1oi8 n PRO 122 Cb 0.59 -2.14 0.37 0.00 -0.02 0.00 0.00 33.50 32.30 1oi8 n PRO 122 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1oi8 h LEU 123 N -1.04 0.59 -1.19 2.45 5.85 -1.94 -0.40 115.31 119.62 1oi8 h LEU 123 Ca -0.45 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.26 1oi8 h LEU 123 Cb 1.30 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1oi8 h LEU 123 CO 0.42 0.42 0.48 0.74 -0.34 0.00 0.00 178.44 180.16 1oi8 h THR 124 N 0.70 1.21 -0.56 1.05 2.02 -1.99 0.80 112.91 116.13 1oi8 h THR 124 Ca 0.21 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1oi8 h THR 124 Cb -0.02 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1oi8 h THR 124 CO -0.05 0.21 0.18 0.58 0.37 0.00 0.00 175.52 176.81 1oi8 h VAL 125 N 1.05 1.24 -0.72 3.16 2.07 -1.41 -2.28 116.25 119.35 1oi8 h VAL 125 Ca 0.28 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1oi8 h VAL 125 Cb -0.07 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1oi8 h VAL 125 CO -0.05 0.30 0.45 0.25 0.02 0.00 0.00 177.57 178.54 1oi8 h LEU 126 N 0.79 0.84 -0.87 2.57 5.85 -1.04 -1.02 115.31 122.43 1oi8 h LEU 126 Ca 0.18 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1oi8 h LEU 126 Cb 0.27 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1oi8 h LEU 126 CO -0.01 0.63 0.15 0.03 -0.34 0.00 0.00 178.44 178.90 1oi8 h ARG 127 N 0.98 0.99 0.00 1.25 2.47 -0.56 -0.73 114.38 118.78 1oi8 h ARG 127 Ca 0.26 -0.22 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 1oi8 h ARG 127 Cb -0.08 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.09 1oi8 h ARG 127 CO -0.05 0.88 -0.52 0.37 0.56 0.00 0.00 179.97 181.21 1oi8 h GLN 128 N 0.95 0.00 -0.29 0.04 5.75 -0.98 -1.68 115.11 118.90 1oi8 h GLN 128 Ca 0.20 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1oi8 h GLN 128 Cb 0.34 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 1oi8 h GLN 128 CO 0.00 0.52 -0.12 1.96 -2.65 0.00 0.00 178.83 178.54 1oi8 h GLN 129 N 0.00 0.49 -0.35 1.69 4.20 -0.60 0.19 115.11 120.73 1oi8 h GLN 129 Ca -0.01 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.51 1oi8 h GLN 129 Cb 1.07 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 1oi8 h GLN 129 CO 0.07 0.61 -0.02 0.93 -0.67 0.00 0.00 178.83 179.74 1oi8 h GLU 130 N 0.46 0.56 0.46 1.46 5.08 -0.66 -0.66 114.58 121.28 1oi8 h GLU 130 Ca 0.09 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1oi8 h GLU 130 Cb 0.48 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1oi8 h GLU 130 CO 0.03 0.61 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.20 1oi8 h LYS 131 N 0.53 -0.59 -0.81 2.33 3.11 -0.64 -3.20 116.57 117.31 1oi8 h LYS 131 Ca 0.11 0.04 0.03 0.00 -2.81 0.00 0.00 60.65 58.02 1oi8 h LYS 131 Cb 0.38 0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 31.70 1oi8 h LYS 131 CO 0.02 -0.32 0.52 -1.49 -2.81 0.00 0.00 179.45 175.36 1oi8 h TRP 132 N -0.77 0.97 -3.39 1.91 6.55 -0.80 -3.42 115.95 117.01 1oi8 h TRP 132 Ca -0.06 0.03 -0.52 0.00 0.95 0.00 0.00 58.89 59.28 1oi8 h TRP 132 Cb 0.54 -0.32 0.03 0.00 -0.86 0.00 0.00 29.16 28.55 1oi8 h TRP 132 CO -0.01 0.57 0.65 0.00 -1.05 0.00 0.00 178.44 178.59 1oi8 s ALA 133 N -6.11 3.52 -1.82 1.49 0.00 -0.27 -4.74 121.76 113.83 1oi8 s ALA 133 Ca -0.13 1.10 0.17 0.00 0.00 0.00 0.00 51.96 53.10 1oi8 s ALA 133 Cb 0.16 -3.48 0.53 0.00 0.00 0.00 0.00 23.12 20.33 1oi8 s ALA 133 CO 0.79 -0.53 1.43 1.63 0.00 0.00 0.00 175.76 179.08 1oi8 n LYS 134 N 2.64 2.54 -4.29 0.00 5.02 -1.26 -4.86 118.16 117.95 1oi8 n LYS 134 Ca 0.06 -2.13 -0.17 0.00 -2.02 0.00 0.00 58.31 54.05 1oi8 n LYS 134 Cb 0.43 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1oi8 n LYS 134 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1oi8 s PHE 135 N -1.35 1.47 0.23 2.13 -0.71 -1.26 -5.05 117.98 113.44 1oi8 s PHE 135 Ca 0.39 -0.64 -0.30 0.00 -1.04 0.00 0.00 56.93 55.35 1oi8 s PHE 135 Cb 0.22 -0.73 -0.09 0.00 -1.21 0.00 0.00 43.02 41.21 1oi8 s PHE 135 CO 0.25 0.21 0.99 -1.25 -1.34 0.00 0.00 175.22 174.08 1oi8 s PRO 136 N -3.44 4.77 -0.42 1.99 0.04 -1.26 -4.92 135.00 131.76 1oi8 s PRO 136 Ca 0.17 1.58 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 1oi8 s PRO 136 Cb -0.01 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.29 1oi8 s PRO 136 CO 0.04 0.39 0.52 -0.51 0.04 0.00 0.00 177.00 177.47 1oi8 s LEU 137 N -1.08 4.68 -0.12 -3.56 1.43 -1.26 -1.68 118.68 117.09 1oi8 s LEU 137 Ca 0.43 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1oi8 s LEU 137 Cb -0.27 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1oi8 s LEU 137 CO 0.34 -0.65 0.01 -0.76 0.23 0.00 0.00 176.35 175.52 1oi8 s LEU 138 N 2.41 3.57 -0.27 1.79 1.43 0.18 -4.36 118.68 123.43 1oi8 s LEU 138 Ca 0.17 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1oi8 s LEU 138 Cb -0.16 -1.84 0.12 0.00 0.03 0.00 0.00 46.19 44.34 1oi8 s LEU 138 CO 0.16 0.30 0.58 -0.55 0.23 0.00 0.00 176.35 177.06 1oi8 s SER 139 N -0.39 -0.90 0.19 2.29 0.15 -0.47 -1.82 113.70 112.75 1oi8 s SER 139 Ca 0.08 1.36 0.12 0.00 0.70 0.00 0.00 55.95 58.20 1oi8 s SER 139 Cb -0.12 2.03 -0.07 0.00 -1.71 0.00 0.00 66.02 66.14 1oi8 s SER 139 CO 0.02 -0.23 1.31 0.00 1.20 0.00 0.00 173.24 175.55 1oi8 h ALA 140 N 8.05 0.54 -0.69 5.45 0.00 -0.62 -3.38 119.26 128.60 1oi8 h ALA 140 Ca -0.18 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1oi8 h ALA 140 Cb 1.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1oi8 h ALA 140 CO 0.12 0.94 0.00 0.27 0.00 0.00 0.00 179.25 180.58 1oi8 n ASN 141 N -3.25 4.13 -4.35 0.00 6.94 -1.26 -4.88 115.26 112.59 1oi8 n ASN 141 Ca -0.00 -2.13 -0.35 0.00 -0.02 0.00 0.00 54.58 52.08 1oi8 n ASN 141 Cb 0.84 -0.50 -0.14 0.00 -2.36 0.00 0.00 39.78 37.62 1oi8 n ASN 141 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1oi8 s ILE 142 N -1.24 3.45 0.03 1.53 1.01 -1.26 -1.18 121.20 123.54 1oi8 s ILE 142 Ca 0.48 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.71 1oi8 s ILE 142 Cb 0.27 -2.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 1oi8 s ILE 142 CO 0.30 0.44 -0.16 -0.31 0.00 0.00 0.00 174.94 175.21 1oi8 s TYR 143 N 1.21 1.43 -0.29 3.97 1.51 -0.12 -1.58 117.35 123.48 1oi8 s TYR 143 Ca 0.03 -0.34 -0.29 0.00 -1.01 0.00 0.00 57.07 55.45 1oi8 s TYR 143 Cb -0.14 -0.86 0.01 0.00 -0.11 0.00 0.00 41.96 40.85 1oi8 s TYR 143 CO -0.01 0.05 1.20 -1.14 -1.11 0.00 0.00 175.55 174.54 1oi8 s GLN 144 N -1.04 4.02 0.27 -0.62 2.00 0.54 -0.41 119.66 124.42 1oi8 s GLN 144 Ca 0.04 1.23 -0.02 0.00 -2.00 0.00 0.00 55.36 54.61 1oi8 s GLN 144 Cb -0.08 -3.81 0.44 0.00 0.80 0.00 0.00 33.01 30.37 1oi8 s GLN 144 CO 0.01 -0.98 1.86 0.87 -0.50 0.00 0.00 175.29 176.55 1oi8 h LYS 145 N 8.67 1.04 -0.20 1.67 1.57 -1.59 0.83 116.57 128.56 1oi8 h LYS 145 Ca -0.24 -0.06 -0.13 0.00 -1.87 0.00 0.00 60.65 58.35 1oi8 h LYS 145 Cb 1.08 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1oi8 h LYS 145 CO 1.03 0.69 -0.43 0.66 -0.57 0.00 0.00 179.45 180.83 1oi8 h SER 146 N 1.07 0.51 -0.00 0.86 4.64 -1.93 -3.17 113.55 115.53 1oi8 h SER 146 Ca 0.45 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1oi8 h SER 146 Cb 0.28 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1oi8 h SER 146 CO -0.21 0.87 -0.54 0.35 -0.87 0.00 0.00 176.83 176.44 1oi8 n THR 147 N -4.01 0.00 -2.52 2.95 -2.24 -1.10 -5.00 114.28 102.35 1oi8 n THR 147 Ca -0.02 -0.23 -0.20 0.00 -2.27 0.00 0.00 64.05 61.33 1oi8 n THR 147 Cb 0.52 1.01 -0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1oi8 n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oi8 n GLY 148 N 1.26 -0.50 3.58 3.38 0.00 0.27 -5.00 105.19 108.17 1oi8 n GLY 148 Ca 0.02 0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 1oi8 n GLY 148 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oi8 s GLU 149 N -5.17 2.35 0.35 1.61 2.12 -1.22 -4.92 118.70 113.83 1oi8 s GLU 149 Ca 0.05 -0.86 -0.28 0.00 0.36 0.00 0.00 54.97 54.24 1oi8 s GLU 149 Cb -0.02 -2.40 -0.11 0.00 0.26 0.00 0.00 34.13 31.86 1oi8 s GLU 149 CO 0.07 0.56 1.39 1.03 -0.54 0.00 0.00 175.26 177.76 1oi8 s ARG 150 N -1.75 4.25 0.37 4.30 0.52 -1.26 -0.34 118.95 125.04 1oi8 s ARG 150 Ca 0.19 2.37 0.22 0.00 -0.52 0.00 0.00 55.73 57.99 1oi8 s ARG 150 Cb -0.11 -3.03 0.24 0.00 0.52 0.00 0.00 34.95 32.57 1oi8 s ARG 150 CO 0.10 -0.34 1.46 -0.07 0.02 0.00 0.00 175.30 176.47 1oi8 h LEU 151 N 3.29 0.00 -8.83 2.53 3.38 -1.62 -3.45 115.31 110.60 1oi8 h LEU 151 Ca -0.50 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.14 1oi8 h LEU 151 Cb 1.23 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.84 1oi8 h LEU 151 CO 0.65 0.04 -0.62 -0.36 0.09 0.00 0.00 178.44 178.24 1oi8 s PHE 152 N -3.22 1.46 0.15 1.13 0.08 -1.26 -5.10 117.98 111.21 1oi8 s PHE 152 Ca 0.05 -1.18 -0.31 0.00 0.12 0.00 0.00 56.93 55.61 1oi8 s PHE 152 Cb 0.06 -0.84 -0.09 0.00 -0.57 0.00 0.00 43.02 41.58 1oi8 s PHE 152 CO 0.70 -0.34 1.41 0.15 -0.10 0.00 0.00 175.22 177.04 1oi8 s LYS 153 N -4.03 4.31 0.12 0.44 1.02 -1.26 -4.76 119.74 115.57 1oi8 s LYS 153 Ca 0.36 2.15 0.05 0.00 0.02 0.00 0.00 55.97 58.55 1oi8 s LYS 153 Cb 0.08 -3.20 -0.19 0.00 -0.52 0.00 0.00 37.83 33.99 1oi8 s LYS 153 CO 0.12 -0.43 1.27 -1.00 -0.92 0.00 0.00 175.35 174.39 1oi8 h PRO 154 N 6.34 0.06 -3.35 -1.68 0.13 -1.92 -1.26 132.00 130.33 1oi8 h PRO 154 Ca -0.43 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 1oi8 h PRO 154 Cb 1.21 0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1oi8 h PRO 154 CO 0.85 1.02 0.00 1.67 -0.23 0.00 0.00 178.00 181.31 1oi8 s TRP 155 N -2.76 -0.09 0.08 1.56 1.48 -1.26 -1.69 118.94 116.26 1oi8 s TRP 155 Ca -0.00 -0.25 0.03 0.00 -1.06 0.00 0.00 56.10 54.82 1oi8 s TRP 155 Cb 0.10 0.35 -0.03 0.00 -1.16 0.00 0.00 33.47 32.73 1oi8 s TRP 155 CO 0.83 -0.89 -0.09 0.00 -4.06 0.00 0.00 176.95 172.74 1oi8 s ALA 156 N -3.87 0.93 -0.02 2.67 0.00 -0.19 -4.99 121.76 116.29 1oi8 s ALA 156 Ca 0.09 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.04 1oi8 s ALA 156 Cb -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 1oi8 s ALA 156 CO -0.03 -0.04 -0.16 -0.51 0.00 0.00 0.00 175.76 175.01 1oi8 s LEU 157 N -2.21 2.63 0.01 0.00 1.43 -1.26 -1.03 118.68 118.26 1oi8 s LEU 157 Ca 0.01 -0.29 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1oi8 s LEU 157 Cb -0.04 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.63 1oi8 s LEU 157 CO -0.00 0.32 -0.10 -0.36 0.23 0.00 0.00 176.35 176.43 1oi8 s PHE 158 N -0.78 0.86 -0.26 0.29 0.08 0.08 -4.99 117.98 113.26 1oi8 s PHE 158 Ca 0.12 -0.26 -0.09 0.00 0.12 0.00 0.00 56.93 56.83 1oi8 s PHE 158 Cb -0.11 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 41.77 1oi8 s PHE 158 CO 0.02 -0.01 0.11 0.21 -0.10 0.00 0.00 175.22 175.45 1oi8 s LYS 159 N -0.69 3.77 -0.15 0.44 2.47 -1.26 -0.16 119.74 124.17 1oi8 s LYS 159 Ca 0.01 -0.42 -0.01 0.00 -1.56 0.00 0.00 55.97 53.99 1oi8 s LYS 159 Cb -0.06 -3.44 0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1oi8 s LYS 159 CO 0.00 -0.17 -0.05 1.03 0.16 0.00 0.00 175.35 176.32 1oi8 s ARG 160 N 1.62 1.37 3.31 4.03 1.81 -0.67 -4.98 118.95 125.44 1oi8 s ARG 160 Ca 0.06 -0.39 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1oi8 s ARG 160 Cb -0.15 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 1oi8 s ARG 160 CO 0.06 -0.38 0.00 1.04 -0.68 0.00 0.00 175.30 175.34 1oi8 n GLN 161 N 4.92 0.00 -0.00 3.54 6.02 -1.26 -0.46 117.38 130.13 1oi8 n GLN 161 Ca -0.12 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 57.01 1oi8 n GLN 161 Cb 0.49 0.00 0.36 0.00 1.02 0.00 0.00 30.24 32.10 1oi8 n GLN 161 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1oi8 n ASP 162 N 4.49 2.09 -4.82 1.08 8.00 -1.26 -4.96 116.55 121.18 1oi8 n ASP 162 Ca 0.00 -1.70 -0.38 0.00 0.71 0.00 0.00 54.79 53.42 1oi8 n ASP 162 Cb 0.00 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 1oi8 n ASP 162 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oi8 s LEU 163 N -1.99 4.48 -0.28 0.64 1.43 0.39 -4.17 118.68 119.19 1oi8 s LEU 163 Ca 0.34 1.22 -0.10 0.00 -1.03 0.00 0.00 54.13 54.56 1oi8 s LEU 163 Cb 0.21 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1oi8 s LEU 163 CO 0.32 0.23 0.14 -0.75 0.23 0.00 0.00 176.35 176.53 1oi8 s LYS 164 N -1.31 3.68 -0.15 1.70 2.20 -1.26 -1.66 119.74 122.93 1oi8 s LYS 164 Ca 0.31 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.43 1oi8 s LYS 164 Cb -0.18 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.60 1oi8 s LYS 164 CO 0.19 -0.25 -0.14 0.42 -0.36 0.00 0.00 175.35 175.20 1oi8 s ILE 165 N 1.67 2.79 -0.11 5.43 1.01 0.78 -0.62 121.20 132.16 1oi8 s ILE 165 Ca 0.06 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1oi8 s ILE 165 Cb -0.16 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1oi8 s ILE 165 CO 0.07 0.51 0.09 0.00 0.00 0.00 0.00 174.94 175.62 1oi8 s ALA 166 N 0.71 3.68 -0.15 9.38 0.00 0.14 -0.74 121.76 134.77 1oi8 s ALA 166 Ca -0.07 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1oi8 s ALA 166 Cb -0.15 -1.81 0.01 0.00 0.00 0.00 0.00 23.12 21.17 1oi8 s ALA 166 CO 0.02 0.60 -0.20 0.08 0.00 0.00 0.00 175.76 176.26 1oi8 s VAL 167 N -0.96 2.19 -0.04 0.00 1.01 -0.20 -0.97 120.40 121.42 1oi8 s VAL 167 Ca 0.14 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1oi8 s VAL 167 Cb -0.12 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1oi8 s VAL 167 CO 0.03 0.54 0.21 -0.63 0.00 0.00 0.00 175.10 175.26 1oi8 s ILE 168 N 0.94 5.39 -0.08 2.22 1.01 -0.08 -1.02 121.20 129.57 1oi8 s ILE 168 Ca -0.04 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1oi8 s ILE 168 Cb -0.15 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1oi8 s ILE 168 CO -0.04 0.45 -0.01 -0.83 0.00 0.00 0.00 174.94 174.50 1oi8 s GLY 169 N -1.52 1.82 0.05 6.18 0.00 -0.68 -0.45 107.32 112.72 1oi8 s GLY 169 Ca 0.23 -0.82 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1oi8 s GLY 169 CO 0.13 -0.59 -0.09 1.08 0.00 0.00 0.00 173.10 173.63 1oi8 s LEU 170 N -0.86 2.24 -0.03 0.66 1.43 -0.64 -0.06 118.68 121.43 1oi8 s LEU 170 Ca 0.13 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.74 1oi8 s LEU 170 Cb -0.11 -0.26 -0.01 0.00 0.03 0.00 0.00 46.19 45.84 1oi8 s LEU 170 CO 0.02 -0.15 -0.15 -0.89 0.23 0.00 0.00 176.35 175.41 1oi8 s THR 171 N -1.26 1.23 0.31 5.49 2.01 -1.26 -0.97 115.64 121.19 1oi8 s THR 171 Ca -0.07 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1oi8 s THR 171 Cb -0.09 -1.05 -0.12 0.00 0.01 0.00 0.00 72.50 71.25 1oi8 s THR 171 CO 0.01 0.36 1.54 1.07 -0.69 0.00 0.00 174.62 176.91 1oi8 n THR 172 N 2.97 1.33 1.37 -0.82 5.66 0.32 -4.65 114.28 120.45 1oi8 n THR 172 Ca -0.16 -0.33 0.12 0.00 -3.05 0.00 0.00 64.05 60.62 1oi8 n THR 172 Cb 0.54 -1.92 0.67 0.00 -1.55 0.00 0.00 70.33 68.07 1oi8 n THR 172 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1oi8 n ASP 173 N 1.64 0.00 0.28 1.09 5.75 -1.26 -2.52 116.55 121.53 1oi8 n ASP 173 Ca 0.07 -0.50 0.19 0.00 -0.01 0.00 0.00 54.79 54.54 1oi8 n ASP 173 Cb 0.37 -0.11 0.88 0.00 -1.03 0.00 0.00 41.12 41.24 1oi8 n ASP 173 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1oi8 h ASP 174 N 0.00 0.00 -0.85 -1.12 3.32 -1.96 -3.22 116.42 112.59 1oi8 h ASP 174 Ca 0.00 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.26 1oi8 h ASP 174 Cb 0.08 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 39.51 1oi8 h ASP 174 CO 0.00 0.00 0.29 0.74 -1.72 0.00 0.00 179.24 178.55 1oi8 h THR 175 N 0.00 0.45 0.00 0.35 2.02 -1.87 -0.32 112.91 113.54 1oi8 h THR 175 Ca 0.00 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.00 1oi8 h THR 175 Cb 0.26 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1oi8 h THR 175 CO 0.00 0.06 -0.32 0.00 0.37 0.00 0.00 175.52 175.63 1oi8 h ALA 176 N 1.70 0.94 0.03 6.16 0.00 -1.83 -1.20 119.26 125.06 1oi8 h ALA 176 Ca 0.52 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.92 1oi8 h ALA 176 Cb 0.97 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1oi8 h ALA 176 CO -0.56 0.40 -1.01 -0.22 0.00 0.00 0.00 179.25 177.87 1oi8 h LYS 177 N 0.00 0.08 0.00 0.00 3.64 -1.37 -3.40 116.57 115.52 1oi8 h LYS 177 Ca -0.00 -0.12 -0.37 0.00 -1.27 0.00 0.00 60.65 58.89 1oi8 h LYS 177 Cb 0.93 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.72 1oi8 h LYS 177 CO 0.04 1.02 -2.38 0.44 -2.27 0.00 0.00 179.45 176.30 1oi8 n ILE 178 N -3.45 1.40 -1.43 2.00 -5.35 -0.27 -5.01 119.36 107.25 1oi8 n ILE 178 Ca -0.02 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.61 1oi8 n ILE 178 Cb 0.92 -0.51 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 1oi8 n ILE 178 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oi8 n GLY 179 N 1.77 -0.05 3.62 3.28 0.00 -0.48 -4.75 105.19 108.59 1oi8 n GLY 179 Ca -0.33 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.45 1oi8 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1oi8 s ASN 180 N -1.00 6.48 0.59 1.61 3.84 -1.26 -4.86 114.94 120.33 1oi8 s ASN 180 Ca 0.00 1.29 0.31 0.00 0.21 0.00 0.00 52.86 54.67 1oi8 s ASN 180 Cb 0.00 -2.54 1.86 0.00 -0.55 0.00 0.00 41.25 40.02 1oi8 s ASN 180 CO 0.00 -1.23 2.25 1.55 -2.79 0.00 0.00 177.10 176.88 1oi8 h PRO 181 N 10.20 0.00 0.00 0.43 0.13 -1.87 0.10 132.00 140.99 1oi8 h PRO 181 Ca -0.29 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1oi8 h PRO 181 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1oi8 h PRO 181 CO 1.03 0.01 -0.01 0.93 -0.23 0.00 0.00 178.00 179.73 1oi8 h GLU 182 N 0.00 0.00 0.00 0.86 5.08 -1.92 -1.17 114.58 117.44 1oi8 h GLU 182 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oi8 h GLU 182 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1oi8 h GLU 182 CO 0.00 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 178.68 1oi8 n TYR 183 N -3.12 0.60 -0.82 4.33 4.01 0.02 -4.13 117.16 118.07 1oi8 n TYR 183 Ca -0.01 0.18 0.07 0.00 -0.16 0.00 0.00 57.90 57.98 1oi8 n TYR 183 Cb 0.23 -0.79 0.10 0.00 -0.31 0.00 0.00 39.34 38.56 1oi8 n TYR 183 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1oi8 n PHE 184 N -2.00 0.00 0.11 -0.72 3.72 -0.45 -4.69 117.46 113.43 1oi8 n PHE 184 Ca 0.06 -0.82 -0.01 0.00 -0.05 0.00 0.00 57.45 56.62 1oi8 n PHE 184 Cb 0.39 -0.12 0.25 0.00 -0.94 0.00 0.00 39.48 39.07 1oi8 n PHE 184 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1oi8 h THR 185 N 0.25 1.30 -0.51 4.37 1.35 -1.69 -2.36 112.91 115.62 1oi8 h THR 185 Ca 0.00 -1.44 -0.25 0.00 -0.55 0.00 0.00 66.41 64.17 1oi8 h THR 185 Cb 0.88 1.66 -0.15 0.00 -1.73 0.00 0.00 68.15 68.81 1oi8 h THR 185 CO 0.00 0.43 0.10 -0.67 -0.25 0.00 0.00 175.52 175.13 1oi8 n ASP 186 N -4.05 2.91 -4.04 5.36 2.03 -1.26 -4.95 116.55 112.55 1oi8 n ASP 186 Ca -0.01 -3.69 -0.21 0.00 0.52 0.00 0.00 54.79 51.40 1oi8 n ASP 186 Cb 0.45 -0.68 -0.15 0.00 -0.72 0.00 0.00 41.12 40.02 1oi8 n ASP 186 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1oi8 s ILE 187 N -3.23 0.91 0.09 5.18 1.01 -0.89 -1.52 121.20 122.76 1oi8 s ILE 187 Ca 0.48 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 60.76 1oi8 s ILE 187 Cb 0.42 -0.80 -0.03 0.00 0.01 0.00 0.00 42.46 42.06 1oi8 s ILE 187 CO 0.03 0.27 -0.20 -1.83 0.00 0.00 0.00 174.94 173.22 1oi8 s GLU 188 N 0.06 1.07 -0.33 2.79 -1.05 0.45 -4.81 118.70 116.88 1oi8 s GLU 188 Ca -0.01 -1.12 -0.08 0.00 -0.15 0.00 0.00 54.97 53.61 1oi8 s GLU 188 Cb -0.08 -1.28 0.02 0.00 -0.44 0.00 0.00 34.13 32.34 1oi8 s GLU 188 CO 0.00 0.30 0.13 -0.06 0.95 0.00 0.00 175.26 176.58 1oi8 s PHE 189 N -1.18 3.20 0.62 4.83 0.40 -1.26 -0.94 117.98 123.65 1oi8 s PHE 189 Ca 0.05 -0.98 -0.16 0.00 -0.60 0.00 0.00 56.93 55.24 1oi8 s PHE 189 Cb -0.10 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.08 1oi8 s PHE 189 CO 0.04 -0.60 1.11 0.50 0.70 0.00 0.00 175.22 176.97 1oi8 s ARG 190 N 1.52 3.01 0.01 0.44 3.52 -0.33 -4.94 118.95 122.18 1oi8 s ARG 190 Ca 0.02 1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 56.76 1oi8 s ARG 190 Cb -0.18 -1.97 -0.09 0.00 -1.56 0.00 0.00 34.95 31.15 1oi8 s ARG 190 CO 0.04 -1.10 1.98 1.17 -0.81 0.00 0.00 175.30 176.59 1oi8 n LYS 191 N -2.05 2.77 0.06 5.12 4.81 -1.26 -4.69 118.16 122.92 1oi8 n LYS 191 Ca 0.11 1.01 0.04 0.00 -0.87 0.00 0.00 58.31 58.60 1oi8 n LYS 191 Cb 0.52 -2.99 0.46 0.00 0.02 0.00 0.00 35.03 33.03 1oi8 n LYS 191 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1oi8 h PRO 192 N 10.74 0.41 -0.58 1.64 0.13 -1.93 -1.48 132.00 140.92 1oi8 h PRO 192 Ca -0.49 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1oi8 h PRO 192 Cb 1.24 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1oi8 h PRO 192 CO 0.94 0.30 0.34 0.00 -0.23 0.00 0.00 178.00 179.35 1oi8 h ALA 193 N 1.78 1.52 0.03 -0.56 0.00 -1.92 0.17 119.26 120.27 1oi8 h ALA 193 Ca 0.11 -0.07 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1oi8 h ALA 193 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.58 1oi8 h ALA 193 CO -0.02 0.42 -1.05 -0.44 0.00 0.00 0.00 179.25 178.16 1oi8 h ASP 194 N 0.80 0.87 -0.87 0.00 3.32 -1.68 -2.93 116.42 115.92 1oi8 h ASP 194 Ca 0.21 -0.77 0.06 0.00 0.02 0.00 0.00 57.03 56.55 1oi8 h ASP 194 Cb -0.02 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.20 1oi8 h ASP 194 CO -0.04 1.53 0.54 -0.08 -1.72 0.00 0.00 179.24 179.47 1oi8 h GLU 195 N 0.31 0.96 -0.82 3.56 4.57 -1.09 -2.92 114.58 119.15 1oi8 h GLU 195 Ca -0.14 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.95 1oi8 h GLU 195 Cb 1.72 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 30.05 1oi8 h GLU 195 CO 0.21 0.64 0.38 0.00 -1.18 0.00 0.00 179.01 179.05 1oi8 h ALA 196 N 1.40 1.06 -0.61 2.92 0.00 -0.53 -0.85 119.26 122.66 1oi8 h ALA 196 Ca 0.38 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1oi8 h ALA 196 Cb 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1oi8 h ALA 196 CO -0.17 0.65 0.40 0.87 0.00 0.00 0.00 179.25 181.00 1oi8 h LYS 197 N 1.18 0.80 -0.28 0.00 1.57 -1.34 -0.32 116.57 118.17 1oi8 h LYS 197 Ca 0.28 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 1oi8 h LYS 197 Cb 0.15 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1oi8 h LYS 197 CO -0.03 0.53 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.26 1oi8 h LEU 198 N 0.83 0.53 -0.53 2.94 3.38 -1.27 -2.63 115.31 118.57 1oi8 h LEU 198 Ca 0.22 -0.35 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 1oi8 h LEU 198 Cb -0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1oi8 h LEU 198 CO -0.05 0.76 -0.27 0.58 0.09 0.00 0.00 178.44 179.56 1oi8 h VAL 199 N 0.30 1.27 -0.52 1.22 2.07 -0.93 0.30 116.25 119.95 1oi8 h VAL 199 Ca 0.07 -1.43 0.02 0.00 0.82 0.00 0.00 66.70 66.18 1oi8 h VAL 199 Cb 0.52 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1oi8 h VAL 199 CO 0.02 0.48 0.33 0.40 0.02 0.00 0.00 177.57 178.83 1oi8 h ILE 200 N 0.78 1.09 -0.44 4.57 2.04 -1.08 -0.83 117.51 123.63 1oi8 h ILE 200 Ca 0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1oi8 h ILE 200 Cb 0.83 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1oi8 h ILE 200 CO 0.07 0.12 0.11 -0.61 0.00 0.00 0.00 178.15 177.85 1oi8 h GLN 201 N 0.67 0.71 -0.35 2.37 4.15 -1.30 -1.24 115.11 120.10 1oi8 h GLN 201 Ca 0.20 -0.17 0.08 0.00 0.77 0.00 0.00 58.65 59.53 1oi8 h GLN 201 Cb -0.03 -0.09 -0.09 0.00 0.21 0.00 0.00 27.48 27.48 1oi8 h GLN 201 CO -0.07 0.70 -0.27 1.49 -1.93 0.00 0.00 178.83 178.75 1oi8 h GLU 202 N 0.58 -0.22 -0.39 1.69 4.81 -0.71 -1.24 114.58 119.11 1oi8 h GLU 202 Ca 0.14 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1oi8 h GLU 202 Cb 0.31 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1oi8 h GLU 202 CO 0.00 -0.15 0.18 -0.07 -0.73 0.00 0.00 179.01 178.24 1oi8 h LEU 203 N -0.23 0.52 -1.55 1.64 3.38 -0.84 -1.81 115.31 116.42 1oi8 h LEU 203 Ca 0.17 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1oi8 h LEU 203 Cb 0.50 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1oi8 h LEU 203 CO -0.48 0.51 0.37 1.56 0.09 0.00 0.00 178.44 180.49 1oi8 h GLN 204 N 0.49 0.55 0.00 1.13 4.20 -0.97 0.83 115.11 121.35 1oi8 h GLN 204 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1oi8 h GLN 204 Cb 0.14 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.79 1oi8 h GLN 204 CO -0.02 0.36 -0.77 1.96 -0.67 0.00 0.00 178.83 179.70 1oi8 h GLN 205 N 0.56 0.00 0.00 1.46 1.08 -0.82 -3.40 115.11 113.99 1oi8 h GLN 205 Ca 0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1oi8 h GLN 205 Cb 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1oi8 h GLN 205 CO -0.06 0.00 0.00 0.25 -0.95 0.00 0.00 178.83 178.07 1oi8 n THR 206 N -2.63 0.00 0.15 -0.54 -2.24 -0.72 -4.88 114.28 103.41 1oi8 n THR 206 Ca 0.01 0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.85 1oi8 n THR 206 Cb 0.52 -0.85 0.11 0.00 -2.10 0.00 0.00 70.33 68.01 1oi8 n THR 206 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1oi8 h GLU 207 N 0.00 0.00 -5.51 -0.78 4.39 -1.68 -3.48 114.58 107.52 1oi8 h GLU 207 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 1oi8 h GLU 207 Cb 0.00 0.00 0.18 0.00 -0.10 0.00 0.00 28.75 28.83 1oi8 h GLU 207 CO 0.00 0.53 -0.80 1.63 -1.16 0.00 0.00 179.01 179.21 1oi8 n LYS 208 N -3.35 -4.59 -1.90 2.33 5.02 0.25 -4.95 118.16 110.98 1oi8 n LYS 208 Ca 0.01 0.84 -0.34 0.00 -2.02 0.00 0.00 58.31 56.81 1oi8 n LYS 208 Cb 0.69 -5.79 0.03 0.00 -0.02 0.00 0.00 35.03 29.94 1oi8 n LYS 208 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1oi8 s PRO 209 N -4.90 2.95 0.16 1.97 0.04 -1.26 -4.95 135.00 129.01 1oi8 s PRO 209 Ca 0.20 1.47 0.02 0.00 0.04 0.00 0.00 61.00 62.73 1oi8 s PRO 209 Cb -0.03 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1oi8 s PRO 209 CO 0.72 -1.15 1.38 -0.44 0.04 0.00 0.00 177.00 177.55 1oi8 h ASP 210 N 0.38 0.30 -3.92 6.66 3.32 -1.23 -3.46 116.42 118.47 1oi8 h ASP 210 Ca -0.48 -0.24 -0.34 0.00 0.02 0.00 0.00 57.03 55.99 1oi8 h ASP 210 Cb 1.25 -0.09 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 1oi8 h ASP 210 CO 0.55 1.03 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.71 1oi8 s ILE 211 N -3.25 0.48 -0.09 0.35 1.01 -1.05 -4.92 121.20 113.74 1oi8 s ILE 211 Ca -0.03 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.40 1oi8 s ILE 211 Cb 0.10 -0.41 0.01 0.00 0.01 0.00 0.00 42.46 42.16 1oi8 s ILE 211 CO 0.83 0.14 -0.20 -0.63 0.00 0.00 0.00 174.94 175.08 1oi8 s ILE 212 N -0.10 1.75 -0.00 2.92 1.01 -1.26 -0.68 121.20 124.83 1oi8 s ILE 212 Ca 0.02 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.90 1oi8 s ILE 212 Cb -0.03 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.89 1oi8 s ILE 212 CO -0.00 0.49 -0.20 -0.63 0.00 0.00 0.00 174.94 174.59 1oi8 s ILE 213 N 0.49 1.62 -0.19 2.92 1.01 -0.14 -0.99 121.20 125.91 1oi8 s ILE 213 Ca -0.17 -0.94 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 1oi8 s ILE 213 Cb -0.17 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1oi8 s ILE 213 CO 0.06 0.40 0.03 0.00 0.00 0.00 0.00 174.94 175.43 1oi8 s ALA 214 N -0.54 3.17 -0.27 9.38 0.00 -0.73 -0.90 121.76 131.87 1oi8 s ALA 214 Ca 0.08 -0.89 -0.15 0.00 0.00 0.00 0.00 51.96 51.00 1oi8 s ALA 214 Cb -0.08 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1oi8 s ALA 214 CO -0.00 -0.02 0.37 0.00 0.00 0.00 0.00 175.76 176.11 1oi8 s ALA 215 N 0.75 3.56 0.09 0.00 0.00 0.41 -0.71 121.76 125.86 1oi8 s ALA 215 Ca 0.01 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.20 1oi8 s ALA 215 Cb -0.14 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1oi8 s ALA 215 CO 0.02 -0.67 -0.18 0.95 0.00 0.00 0.00 175.76 175.88 1oi8 s THR 216 N 2.06 1.45 -0.70 0.00 -4.23 -0.05 -1.61 115.64 112.56 1oi8 s THR 216 Ca 0.15 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.25 1oi8 s THR 216 Cb -0.16 -1.36 0.18 0.00 1.34 0.00 0.00 72.50 72.50 1oi8 s THR 216 CO 0.10 -0.15 0.53 1.57 -0.54 0.00 0.00 174.62 176.12 1oi8 n HIS 217 N 1.12 3.25 0.00 3.99 -0.00 -0.15 -2.59 115.22 120.83 1oi8 n HIS 217 Ca -0.20 -4.28 0.00 0.00 0.46 0.00 0.00 57.72 53.70 1oi8 n HIS 217 Cb 0.54 -0.61 0.00 0.00 -0.12 0.00 0.00 29.99 29.80 1oi8 n HIS 217 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1oi8 n MET 218 N 1.83 2.04 0.00 1.57 2.81 -1.25 -0.52 117.12 123.59 1oi8 n MET 218 Ca 0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1oi8 n MET 218 Cb 0.36 -0.73 0.00 0.00 -0.71 0.00 0.00 33.22 32.14 1oi8 n MET 218 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1oi8 n GLY 219 N 1.56 2.13 3.50 3.03 0.00 -0.70 -4.32 105.19 110.39 1oi8 n GLY 219 Ca 0.00 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 44.09 1oi8 n GLY 219 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oi8 s HIS 220 N -0.89 3.18 -0.14 1.61 2.46 -1.26 -1.04 115.29 119.22 1oi8 s HIS 220 Ca 0.00 -0.30 0.02 0.00 0.47 0.00 0.00 55.06 55.24 1oi8 s HIS 220 Cb 0.00 -2.36 0.02 0.00 -0.13 0.00 0.00 32.58 30.10 1oi8 s HIS 220 CO 0.00 -0.35 -0.18 0.71 -2.47 0.00 0.00 174.74 172.46 1oi8 s TYR 221 N 1.67 2.34 -0.15 3.88 2.02 -1.26 -4.93 117.35 120.91 1oi8 s TYR 221 Ca 0.06 -1.22 -0.41 0.00 -0.37 0.00 0.00 57.07 55.13 1oi8 s TYR 221 Cb -0.16 -1.65 -0.18 0.00 -0.40 0.00 0.00 41.96 39.56 1oi8 s TYR 221 CO 0.08 -0.61 1.38 -0.25 -1.57 0.00 0.00 175.55 174.58 1oi8 n ASP 222 N 4.36 1.10 -2.11 2.29 8.00 -1.26 -0.34 116.55 128.58 1oi8 n ASP 222 Ca -0.19 1.14 -0.14 0.00 0.71 0.00 0.00 54.79 56.31 1oi8 n ASP 222 Cb 0.51 -1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 40.57 1oi8 n ASP 222 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1oi8 n ASN 223 N 3.04 -4.10 -0.80 -2.24 5.15 -1.23 -1.10 115.26 113.98 1oi8 n ASN 223 Ca 0.23 0.21 -0.10 0.00 -0.60 0.00 0.00 54.58 54.33 1oi8 n ASN 223 Cb 0.08 -3.56 -0.04 0.00 -0.53 0.00 0.00 39.78 35.72 1oi8 n ASN 223 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1oi8 n GLY 224 N -0.66 1.18 3.45 8.20 0.00 0.53 -4.94 105.19 112.95 1oi8 n GLY 224 Ca -0.16 -0.51 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 1oi8 n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 225 N -2.84 3.99 0.29 1.61 2.02 -0.26 -4.79 118.70 118.72 1oi8 s GLU 225 Ca 0.00 -2.44 0.24 0.00 0.02 0.00 0.00 54.97 52.78 1oi8 s GLU 225 Cb 0.00 -5.01 0.35 0.00 0.10 0.00 0.00 34.13 29.58 1oi8 s GLU 225 CO 0.00 -1.74 1.46 1.12 0.02 0.00 0.00 175.26 176.12 1oi8 h HIS 226 N 7.48 0.00 0.00 1.61 2.07 -1.87 -3.43 115.15 121.01 1oi8 h HIS 226 Ca 0.28 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.80 1oi8 h HIS 226 Cb 0.91 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.89 1oi8 h HIS 226 CO 1.10 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 176.37 1oi8 n GLY 227 N 1.20 4.13 0.13 6.13 0.00 -1.26 -1.56 105.19 113.96 1oi8 n GLY 227 Ca 0.03 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.36 1oi8 n GLY 227 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1oi8 h SER 228 N 0.00 0.00 -4.17 1.61 0.02 -1.94 -3.45 113.55 105.62 1oi8 h SER 228 Ca 0.00 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.48 1oi8 h SER 228 Cb 0.00 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.56 1oi8 h SER 228 CO 0.00 0.00 0.37 0.20 -1.14 0.00 0.00 176.83 176.26 1oi8 s ASN 229 N -4.57 6.51 0.57 3.07 0.01 -0.60 -5.04 114.94 114.88 1oi8 s ASN 229 Ca 0.08 1.65 -0.20 0.00 -0.71 0.00 0.00 52.86 53.68 1oi8 s ASN 229 Cb 0.11 -2.52 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 1oi8 s ASN 229 CO 0.53 -0.66 1.28 0.00 -1.51 0.00 0.00 177.10 176.74 1oi8 s ALA 230 N -2.49 2.68 0.22 0.60 0.00 -1.26 -4.79 121.76 116.71 1oi8 s ALA 230 Ca 0.61 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 1oi8 s ALA 230 Cb -0.11 -3.51 -0.16 0.00 0.00 0.00 0.00 23.12 19.34 1oi8 s ALA 230 CO 0.29 -1.27 0.92 -2.30 0.00 0.00 0.00 175.76 173.40 1oi8 n PRO 231 N -1.28 0.85 0.00 0.00 -0.02 -1.26 -4.94 135.00 128.35 1oi8 n PRO 231 Ca 0.12 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1oi8 n PRO 231 Cb 0.47 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1oi8 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oi8 n GLY 232 N 1.68 4.57 0.23 -1.23 0.00 -1.26 -4.95 105.19 104.22 1oi8 n GLY 232 Ca 0.14 -1.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 1oi8 n GLY 232 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oi8 h ASP 233 N 0.00 0.80 -0.20 1.61 3.32 -1.33 -1.69 116.42 118.93 1oi8 h ASP 233 Ca 0.00 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 1oi8 h ASP 233 Cb 0.00 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1oi8 h ASP 233 CO 0.00 1.06 0.01 0.58 -1.72 0.00 0.00 179.24 179.17 1oi8 h VAL 234 N 0.55 1.24 -0.74 -1.35 2.07 -1.86 0.61 116.25 116.77 1oi8 h VAL 234 Ca 0.07 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 1oi8 h VAL 234 Cb 0.78 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1oi8 h VAL 234 CO 0.06 0.25 0.29 -0.08 0.02 0.00 0.00 177.57 178.12 1oi8 h GLU 235 N 0.11 1.10 -0.42 1.57 4.81 -1.88 -2.29 114.58 117.58 1oi8 h GLU 235 Ca 0.06 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 1oi8 h GLU 235 Cb 0.36 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1oi8 h GLU 235 CO 0.01 0.90 0.13 1.98 -0.73 0.00 0.00 179.01 181.30 1oi8 h MET 236 N 1.08 0.66 -0.88 1.92 4.05 -1.02 -2.47 114.93 118.26 1oi8 h MET 236 Ca 0.25 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1oi8 h MET 236 Cb 0.21 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 1oi8 h MET 236 CO -0.02 0.64 0.50 0.00 0.23 0.00 0.00 176.91 178.27 1oi8 h ALA 237 N 0.98 1.24 0.00 0.39 0.00 -0.59 -1.92 119.26 119.36 1oi8 h ALA 237 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1oi8 h ALA 237 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1oi8 h ALA 237 CO -0.00 0.64 -0.24 0.00 0.00 0.00 0.00 179.25 179.64 1oi8 h ARG 238 N 1.22 0.00 0.00 0.00 3.08 -1.28 -3.04 114.38 114.35 1oi8 h ARG 238 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1oi8 h ARG 238 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1oi8 h ARG 238 CO -0.05 0.24 -1.03 0.00 -1.07 0.00 0.00 179.97 178.06 1oi8 n ALA 239 N -2.34 2.92 -1.84 0.04 0.00 -0.78 -4.94 120.51 113.59 1oi8 n ALA 239 Ca -0.01 -0.32 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 1oi8 n ALA 239 Cb 0.35 -1.04 0.05 0.00 0.00 0.00 0.00 19.45 18.80 1oi8 n ALA 239 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1oi8 s LEU 240 N -4.57 2.90 0.56 0.00 1.43 -0.85 -5.03 118.68 113.11 1oi8 s LEU 240 Ca 0.02 1.19 -0.21 0.00 -1.03 0.00 0.00 54.13 54.09 1oi8 s LEU 240 Cb 0.12 -3.99 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1oi8 s LEU 240 CO 0.79 -1.38 1.34 -2.84 0.23 0.00 0.00 176.35 174.49 1oi8 s PRO 241 N -5.31 3.07 0.22 1.29 0.02 -1.26 -4.89 135.00 128.15 1oi8 s PRO 241 Ca 0.58 2.18 -0.31 0.00 0.02 0.00 0.00 61.00 63.47 1oi8 s PRO 241 Cb -0.11 -2.19 -0.11 0.00 0.02 0.00 0.00 34.50 32.10 1oi8 s PRO 241 CO 0.52 -1.23 1.64 0.00 -0.33 0.00 0.00 177.00 177.60 1oi8 s ALA 242 N -1.34 3.83 -0.12 -1.55 0.00 -1.26 -2.15 121.76 119.17 1oi8 s ALA 242 Ca 0.73 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.21 1oi8 s ALA 242 Cb -0.39 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1oi8 s ALA 242 CO 0.45 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1oi8 n GLY 243 N 3.32 0.17 0.25 0.00 0.00 -0.86 -4.85 105.19 103.22 1oi8 n GLY 243 Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.24 1oi8 n GLY 243 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1oi8 h SER 244 N 0.00 0.00 -3.79 1.61 4.64 -1.74 -3.39 113.55 110.88 1oi8 h SER 244 Ca -0.02 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.61 1oi8 h SER 244 Cb 0.90 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.77 1oi8 h SER 244 CO 0.03 0.15 -0.73 -0.76 -0.87 0.00 0.00 176.83 174.65 1oi8 s LEU 245 N -7.79 2.94 0.14 5.97 1.43 -1.26 -4.60 118.68 115.52 1oi8 s LEU 245 Ca -0.03 -0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 52.81 1oi8 s LEU 245 Cb 0.14 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.75 1oi8 s LEU 245 CO 0.63 0.33 1.62 0.00 0.23 0.00 0.00 176.35 179.16 1oi8 h ALA 246 N 5.46 0.63 -2.54 4.21 0.00 -1.27 -3.42 119.26 122.33 1oi8 h ALA 246 Ca -0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1oi8 h ALA 246 Cb 1.17 -0.18 -0.15 0.00 0.00 0.00 0.00 17.79 18.63 1oi8 h ALA 246 CO 0.52 0.37 0.25 0.00 0.00 0.00 0.00 179.25 180.39 1oi8 s MET 247 N -5.16 1.13 -0.33 0.00 0.00 -1.26 -3.13 119.30 110.56 1oi8 s MET 247 Ca -0.13 -0.19 -0.07 0.00 0.00 0.00 0.00 55.69 55.30 1oi8 s MET 247 Cb 0.11 0.53 0.02 0.00 0.00 0.00 0.00 34.83 35.49 1oi8 s MET 247 CO 0.80 -0.45 0.11 0.42 0.00 0.00 0.00 175.02 175.90 1oi8 s ILE 248 N -2.75 4.02 -0.39 3.16 1.01 0.88 -1.77 121.20 125.36 1oi8 s ILE 248 Ca -0.03 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.50 1oi8 s ILE 248 Cb -0.01 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.30 1oi8 s ILE 248 CO -0.05 -0.08 0.81 -0.69 0.00 0.00 0.00 174.94 174.94 1oi8 s VAL 249 N 1.47 4.68 0.09 2.92 1.01 0.11 -1.86 120.40 128.82 1oi8 s VAL 249 Ca 0.01 0.80 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1oi8 s VAL 249 Cb -0.18 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1oi8 s VAL 249 CO 0.03 -0.54 0.05 0.61 0.00 0.00 0.00 175.10 175.25 1oi8 n GLY 250 N 4.65 3.34 0.00 4.51 0.00 -0.12 -0.87 105.19 116.70 1oi8 n GLY 250 Ca 0.03 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1oi8 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 251 N 3.91 1.04 4.56 -0.02 0.00 -1.07 -4.30 105.19 109.30 1oi8 n GLY 251 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1oi8 n GLY 251 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1oi8 n HIS 252 N 0.00 0.00 0.26 1.61 -0.00 -1.26 -1.71 115.22 114.11 1oi8 n HIS 252 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.84 1oi8 n HIS 252 Cb 0.00 0.00 0.70 0.00 -0.00 0.00 0.00 29.99 30.69 1oi8 n HIS 252 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1oi8 h SER 253 N 0.00 0.00 -5.21 0.26 4.64 -1.91 -3.47 113.55 107.85 1oi8 h SER 253 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1oi8 h SER 253 Cb 0.00 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.25 1oi8 h SER 253 CO 0.00 0.13 -0.68 0.00 -0.87 0.00 0.00 176.83 175.41 1oi8 n GLN 254 N -3.64 -1.93 -4.44 4.77 6.02 -1.26 -5.01 117.38 111.88 1oi8 n GLN 254 Ca -0.02 0.86 -0.25 0.00 -0.01 0.00 0.00 57.00 57.59 1oi8 n GLN 254 Cb 0.25 -5.42 -0.13 0.00 1.02 0.00 0.00 30.24 25.96 1oi8 n GLN 254 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1oi8 s ASP 255 N -3.30 2.49 -0.31 1.08 1.01 -1.26 -4.82 116.67 111.57 1oi8 s ASP 255 Ca 0.37 -0.61 -0.29 0.00 0.71 0.00 0.00 52.55 52.73 1oi8 s ASP 255 Cb -0.05 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.73 1oi8 s ASP 255 CO 0.67 0.10 1.16 -2.16 0.21 0.00 0.00 175.17 175.16 1oi8 s PRO 256 N -1.58 4.01 -0.95 8.23 0.04 -1.26 -1.54 135.00 141.95 1oi8 s PRO 256 Ca 0.07 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.04 1oi8 s PRO 256 Cb -0.09 -3.79 0.09 0.00 0.04 0.00 0.00 34.50 30.74 1oi8 s PRO 256 CO 0.03 -0.98 1.28 0.08 0.04 0.00 0.00 177.00 177.45 1oi8 s VAL 257 N 3.91 4.28 -0.12 -0.36 1.01 -0.73 -4.86 120.40 123.54 1oi8 s VAL 257 Ca 0.50 -1.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.43 1oi8 s VAL 257 Cb -0.14 -4.91 0.03 0.00 0.00 0.00 0.00 36.38 31.36 1oi8 s VAL 257 CO 0.18 -1.72 -0.03 0.00 0.00 0.00 0.00 175.10 173.53 1oi8 s MET 259 N 1.79 4.17 0.03 0.00 -1.94 0.27 0.25 119.30 123.87 1oi8 s MET 259 Ca 0.03 0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 54.35 1oi8 s MET 259 Cb -0.14 -3.59 -0.33 0.00 2.01 0.00 0.00 34.83 32.79 1oi8 s MET 259 CO -0.07 -0.22 1.00 0.00 -0.01 0.00 0.00 175.02 175.72 1oi8 h ALA 260 N 7.60 -0.03 -2.86 3.03 0.00 -0.97 -3.42 119.26 122.60 1oi8 h ALA 260 Ca -0.32 -0.91 -0.20 0.00 0.00 0.00 0.00 54.91 53.48 1oi8 h ALA 260 Cb 1.15 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.01 1oi8 h ALA 260 CO 0.75 0.84 -0.22 0.00 0.00 0.00 0.00 179.25 180.62 1oi8 s ALA 261 N -2.62 0.50 0.06 0.00 0.00 -1.11 -5.00 121.76 113.59 1oi8 s ALA 261 Ca -0.08 -1.34 -0.34 0.00 0.00 0.00 0.00 51.96 50.20 1oi8 s ALA 261 Cb 0.05 1.15 -0.13 0.00 0.00 0.00 0.00 23.12 24.19 1oi8 s ALA 261 CO 0.92 -0.79 1.67 -1.91 0.00 0.00 0.00 175.76 175.65 1oi8 n GLU 262 N -0.47 2.09 -1.92 0.00 2.13 -1.26 -1.67 120.64 119.53 1oi8 n GLU 262 Ca 0.00 0.76 -0.20 0.00 0.66 0.00 0.00 57.16 58.38 1oi8 n GLU 262 Cb 0.62 -2.54 -0.05 0.00 0.27 0.00 0.00 31.44 29.73 1oi8 n GLU 262 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1oi8 n ASN 263 N 4.52 -5.45 -3.64 4.31 3.02 -1.26 -4.98 115.26 111.79 1oi8 n ASN 263 Ca 0.19 0.29 -0.23 0.00 -0.03 0.00 0.00 54.58 54.80 1oi8 n ASN 263 Cb 0.28 -4.71 -0.17 0.00 -0.61 0.00 0.00 39.78 34.57 1oi8 n ASN 263 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oi8 s LYS 264 N -4.26 -0.00 0.55 3.52 -0.14 -0.67 -3.52 119.74 115.21 1oi8 s LYS 264 Ca 0.00 0.13 -0.20 0.00 -1.36 0.00 0.00 55.97 54.54 1oi8 s LYS 264 Cb 0.00 -1.22 -0.05 0.00 -1.68 0.00 0.00 37.83 34.88 1oi8 s LYS 264 CO 0.00 -0.51 1.18 0.15 -0.76 0.00 0.00 175.35 175.41 1oi8 s LYS 265 N 2.15 3.28 0.24 1.68 1.02 -1.26 -0.43 119.74 126.43 1oi8 s LYS 265 Ca 0.03 1.75 -0.31 0.00 0.02 0.00 0.00 55.97 57.47 1oi8 s LYS 265 Cb -0.14 -2.07 -0.14 0.00 -0.52 0.00 0.00 37.83 34.96 1oi8 s LYS 265 CO -0.06 -0.94 1.20 1.04 -0.92 0.00 0.00 175.35 175.67 1oi8 n GLN 266 N -1.24 1.54 -3.35 1.68 6.02 0.14 -4.50 117.38 117.68 1oi8 n GLN 266 Ca 0.11 0.55 -0.37 0.00 -0.01 0.00 0.00 57.00 57.28 1oi8 n GLN 266 Cb 0.50 -2.06 -0.06 0.00 1.02 0.00 0.00 30.24 29.64 1oi8 n GLN 266 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1oi8 s VAL 267 N -0.47 4.84 -1.49 5.09 1.01 -1.26 -4.43 120.40 123.68 1oi8 s VAL 267 Ca 0.66 0.99 -0.05 0.00 0.00 0.00 0.00 61.98 63.58 1oi8 s VAL 267 Cb -0.73 -3.80 0.04 0.00 0.00 0.00 0.00 36.38 31.90 1oi8 s VAL 267 CO 0.54 0.44 0.53 0.47 0.00 0.00 0.00 175.10 177.09 1oi8 n ASP 268 N 1.40 -1.27 -4.48 3.32 10.43 -1.26 -4.88 116.55 119.81 1oi8 n ASP 268 Ca -0.09 -1.00 -0.51 0.00 2.57 0.00 0.00 54.79 55.75 1oi8 n ASP 268 Cb 0.51 -3.00 -0.05 0.00 1.84 0.00 0.00 41.12 40.43 1oi8 n ASP 268 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1oi8 n TYR 269 N -4.42 0.39 -4.14 1.24 9.36 -1.26 -4.97 117.16 113.35 1oi8 n TYR 269 Ca -0.20 0.91 -0.34 0.00 3.32 0.00 0.00 57.90 61.59 1oi8 n TYR 269 Cb 0.63 -2.09 -0.11 0.00 -0.63 0.00 0.00 39.34 37.14 1oi8 n TYR 269 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1oi8 s VAL 270 N -0.50 4.41 0.54 2.97 1.01 -1.26 -5.09 120.40 122.48 1oi8 s VAL 270 Ca 0.74 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 1oi8 s VAL 270 Cb -1.00 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1oi8 s VAL 270 CO 0.56 0.47 0.96 -2.65 0.00 0.00 0.00 175.10 174.43 1oi8 n PRO 271 N 3.61 1.04 -1.25 2.72 -0.02 -1.26 -2.57 135.00 137.27 1oi8 n PRO 271 Ca -0.17 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.62 1oi8 n PRO 271 Cb 0.52 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1oi8 n PRO 271 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oi8 n GLY 272 N 1.27 1.04 3.50 -1.23 0.00 -1.26 -5.01 105.19 103.50 1oi8 n GLY 272 Ca 0.12 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 1oi8 n GLY 272 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oi8 s THR 273 N -2.31 2.59 0.44 2.61 -4.23 -1.06 -5.09 115.64 108.60 1oi8 s THR 273 Ca 0.00 -2.32 -0.24 0.00 -1.18 0.00 0.00 61.69 57.94 1oi8 s THR 273 Cb 0.00 -2.40 -0.09 0.00 1.34 0.00 0.00 72.50 71.35 1oi8 s THR 273 CO 0.00 -0.38 1.18 -2.65 -0.54 0.00 0.00 174.62 172.23 1oi8 n PRO 274 N -0.67 1.65 -3.87 3.99 -0.02 -1.26 -4.84 135.00 129.98 1oi8 n PRO 274 Ca -0.05 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.74 1oi8 n PRO 274 Cb 0.60 -2.28 -0.16 0.00 -0.02 0.00 0.00 33.50 31.64 1oi8 n PRO 274 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oi8 s LYS 276 N 1.61 3.95 0.80 0.00 2.20 -1.26 -4.62 119.74 122.43 1oi8 s LYS 276 Ca -0.02 0.08 -0.11 0.00 -0.36 0.00 0.00 55.97 55.56 1oi8 s LYS 276 Cb -0.17 -3.69 0.07 0.00 -1.51 0.00 0.00 37.83 32.54 1oi8 s LYS 276 CO -0.07 -0.37 1.09 -1.25 -0.36 0.00 0.00 175.35 174.39 1oi8 s PRO 277 N 2.19 2.04 0.56 4.03 0.04 -1.26 -0.56 135.00 142.04 1oi8 s PRO 277 Ca 0.17 0.95 -0.14 0.00 0.04 0.00 0.00 61.00 62.02 1oi8 s PRO 277 Cb -0.16 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1oi8 s PRO 277 CO 0.10 -1.73 1.00 0.34 0.04 0.00 0.00 177.00 176.76 1oi8 s ASP 278 N -3.54 6.44 -0.07 6.66 2.15 -0.71 -4.75 116.67 122.86 1oi8 s ASP 278 Ca 0.61 1.52 -0.03 0.00 0.43 0.00 0.00 52.55 55.08 1oi8 s ASP 278 Cb -0.16 -2.49 0.04 0.00 -0.30 0.00 0.00 42.92 40.00 1oi8 s ASP 278 CO 0.56 -0.72 0.12 -1.58 -0.17 0.00 0.00 175.17 173.39 1oi8 s GLN 279 N -4.50 -0.00 -0.08 4.34 0.74 -1.26 -1.34 119.66 117.56 1oi8 s GLN 279 Ca 0.57 0.48 -0.00 0.00 0.05 0.00 0.00 55.36 56.47 1oi8 s GLN 279 Cb -0.10 -0.35 0.02 0.00 1.10 0.00 0.00 33.01 33.68 1oi8 s GLN 279 CO 0.40 -0.30 -0.04 -0.65 -0.55 0.00 0.00 175.29 174.15 1oi8 s GLN 280 N 2.17 1.01 -1.48 1.67 -1.52 -0.11 -4.83 119.66 116.58 1oi8 s GLN 280 Ca 0.03 -0.09 -0.10 0.00 -1.95 0.00 0.00 55.36 53.25 1oi8 s GLN 280 Cb -0.12 -1.16 0.06 0.00 -0.22 0.00 0.00 33.01 31.58 1oi8 s GLN 280 CO -0.05 -0.22 0.88 -1.71 -0.25 0.00 0.00 175.29 173.94 1oi8 n ASN 281 N 4.73 -3.59 0.00 5.90 5.15 -1.26 -1.30 115.26 124.89 1oi8 n ASN 281 Ca -0.14 -0.81 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 1oi8 n ASN 281 Cb 0.50 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 35.91 1oi8 n ASN 281 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1oi8 n GLY 282 N -1.67 0.55 3.10 8.20 0.00 -1.26 -2.03 105.19 112.07 1oi8 n GLY 282 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 1oi8 n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oi8 s ILE 283 N -2.09 1.93 0.34 -0.61 1.01 -0.42 -4.23 121.20 117.12 1oi8 s ILE 283 Ca 0.00 -0.86 -0.28 0.00 0.00 0.00 0.00 60.65 59.51 1oi8 s ILE 283 Cb 0.00 -1.75 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 1oi8 s ILE 283 CO 0.00 0.52 1.23 0.26 0.00 0.00 0.00 174.94 176.95 1oi8 s TRP 284 N 1.29 3.16 -0.12 3.97 0.52 -1.18 -0.93 118.94 125.66 1oi8 s TRP 284 Ca 0.04 1.51 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1oi8 s TRP 284 Cb -0.13 -3.53 0.02 0.00 -1.15 0.00 0.00 33.47 28.68 1oi8 s TRP 284 CO -0.11 -1.45 -0.11 0.42 0.02 0.00 0.00 176.95 175.71 1oi8 s ILE 285 N -1.21 1.26 0.16 2.03 1.01 -0.45 -0.09 121.20 123.93 1oi8 s ILE 285 Ca 0.50 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 60.78 1oi8 s ILE 285 Cb -0.36 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1oi8 s ILE 285 CO 0.47 0.40 -0.20 0.68 0.00 0.00 0.00 174.94 176.30 1oi8 s VAL 286 N 1.40 1.92 -0.15 2.92 -7.23 -0.78 -1.74 120.40 116.74 1oi8 s VAL 286 Ca 0.01 -1.90 -0.28 0.00 -1.81 0.00 0.00 61.98 58.00 1oi8 s VAL 286 Cb -0.13 -1.87 0.07 0.00 0.56 0.00 0.00 36.38 35.01 1oi8 s VAL 286 CO -0.06 -0.24 0.70 -1.58 -0.31 0.00 0.00 175.10 173.61 1oi8 s GLN 287 N -2.66 0.96 -0.29 4.82 0.74 -1.26 -0.95 119.66 121.02 1oi8 s GLN 287 Ca 0.16 0.58 0.08 0.00 0.05 0.00 0.00 55.36 56.22 1oi8 s GLN 287 Cb -0.07 0.46 0.46 0.00 1.10 0.00 0.00 33.01 34.96 1oi8 s GLN 287 CO 0.07 -0.23 1.30 0.00 -0.55 0.00 0.00 175.29 175.88 1oi8 n ALA 288 N 1.68 4.56 -0.57 1.58 0.00 -1.24 -1.77 120.51 124.75 1oi8 n ALA 288 Ca -0.17 -3.51 0.00 0.00 0.00 0.00 0.00 53.44 49.76 1oi8 n ALA 288 Cb 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.52 1oi8 n ALA 288 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1oi8 n HIS 289 N -0.93 0.00 -3.61 0.00 -0.00 -0.59 -4.28 115.22 105.82 1oi8 n HIS 289 Ca 0.35 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.50 1oi8 n HIS 289 Cb 0.87 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.72 1oi8 n HIS 289 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1oi8 s GLU 290 N 0.00 0.24 -1.63 1.57 -1.05 -1.26 -4.02 118.70 112.55 1oi8 s GLU 290 Ca 0.00 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.73 1oi8 s GLU 290 Cb 0.00 0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 1oi8 s GLU 290 CO 0.00 -0.11 0.00 0.91 0.95 0.00 0.00 175.26 177.01 1oi8 n TRP 291 N -0.09 -0.00 -1.17 4.83 8.01 0.01 -1.31 117.44 127.71 1oi8 n TRP 291 Ca 0.01 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.14 1oi8 n TRP 291 Cb 0.58 -2.70 -0.03 0.00 -2.01 0.00 0.00 31.31 27.15 1oi8 n TRP 291 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1oi8 n GLY 292 N -1.09 0.83 0.22 6.99 0.00 -1.26 -4.65 105.19 106.23 1oi8 n GLY 292 Ca -0.15 -0.57 0.02 0.00 0.00 0.00 0.00 46.02 45.31 1oi8 n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oi8 h LYS 293 N 0.13 0.15 -4.56 1.61 1.57 -1.48 -3.42 116.57 110.56 1oi8 h LYS 293 Ca -0.12 -0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.31 1oi8 h LYS 293 Cb 0.46 -0.01 -0.23 0.00 0.08 0.00 0.00 32.23 32.52 1oi8 h LYS 293 CO 0.18 0.40 -0.74 0.71 -0.57 0.00 0.00 179.45 179.42 1oi8 s TYR 294 N -4.47 0.66 -0.29 -1.35 2.02 -1.26 -1.05 117.35 111.61 1oi8 s TYR 294 Ca -0.04 -0.37 -0.10 0.00 -0.37 0.00 0.00 57.07 56.18 1oi8 s TYR 294 Cb 0.15 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.27 1oi8 s TYR 294 CO 0.73 -0.05 0.17 0.08 -1.57 0.00 0.00 175.55 174.91 1oi8 s VAL 295 N -0.99 4.99 0.50 0.71 1.01 -0.16 -4.72 120.40 121.74 1oi8 s VAL 295 Ca -0.06 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.67 1oi8 s VAL 295 Cb -0.08 -3.43 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 1oi8 s VAL 295 CO 0.00 0.19 1.04 -0.83 0.00 0.00 0.00 175.10 175.51 1oi8 s GLY 296 N 1.70 2.47 -0.17 4.51 0.00 0.14 -0.97 107.32 115.00 1oi8 s GLY 296 Ca 0.06 0.59 -0.04 0.00 0.00 0.00 0.00 44.72 45.33 1oi8 s GLY 296 CO 0.09 0.91 0.20 -1.60 0.00 0.00 0.00 173.10 172.69 1oi8 s ARG 297 N -3.34 0.14 -0.26 2.90 3.52 -0.14 -1.60 118.95 120.17 1oi8 s ARG 297 Ca 0.67 0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 56.53 1oi8 s ARG 297 Cb -0.17 -0.99 0.02 0.00 -1.56 0.00 0.00 34.95 32.25 1oi8 s ARG 297 CO 0.22 -0.56 -0.03 0.00 -0.81 0.00 0.00 175.30 174.12 1oi8 s ALA 298 N 2.31 2.78 -0.31 6.12 0.00 0.46 -1.55 121.76 131.57 1oi8 s ALA 298 Ca 0.05 -1.46 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1oi8 s ALA 298 Cb -0.15 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.17 1oi8 s ALA 298 CO -0.10 -0.84 0.18 -0.51 0.00 0.00 0.00 175.76 174.49 1oi8 s ASP 299 N 1.36 5.77 0.22 0.00 1.01 0.08 -0.83 116.67 124.27 1oi8 s ASP 299 Ca 0.01 -0.34 0.09 0.00 0.71 0.00 0.00 52.55 53.02 1oi8 s ASP 299 Cb -0.17 -2.06 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 1oi8 s ASP 299 CO -0.03 -0.16 -0.08 -0.36 0.21 0.00 0.00 175.17 174.76 1oi8 s PHE 300 N 1.68 2.61 -0.07 4.23 0.08 -0.25 -0.03 117.98 126.24 1oi8 s PHE 300 Ca 0.06 -0.23 0.05 0.00 0.12 0.00 0.00 56.93 56.93 1oi8 s PHE 300 Cb -0.17 -1.22 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1oi8 s PHE 300 CO 0.08 0.57 -0.23 -1.21 -0.10 0.00 0.00 175.22 174.33 1oi8 s GLU 301 N -3.16 2.53 -0.11 0.44 0.41 -0.12 -1.63 118.70 117.06 1oi8 s GLU 301 Ca 0.27 -0.84 0.02 0.00 -0.41 0.00 0.00 54.97 54.01 1oi8 s GLU 301 Cb -0.08 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.18 1oi8 s GLU 301 CO 0.17 0.30 -0.16 0.12 -0.49 0.00 0.00 175.26 175.19 1oi8 s PHE 302 N 0.03 2.72 -0.16 1.61 2.19 0.67 -1.10 117.98 123.95 1oi8 s PHE 302 Ca -0.08 -0.66 -0.06 0.00 0.33 0.00 0.00 56.93 56.46 1oi8 s PHE 302 Cb -0.15 -1.77 0.07 0.00 -1.31 0.00 0.00 43.02 39.86 1oi8 s PHE 302 CO 0.05 -0.20 0.34 0.50 1.83 0.00 0.00 175.22 177.74 1oi8 s ARG 303 N 0.17 0.26 -1.54 10.12 3.52 -0.47 -0.67 118.95 130.34 1oi8 s ARG 303 Ca -0.09 0.82 -0.12 0.00 -0.13 0.00 0.00 55.73 56.20 1oi8 s ARG 303 Cb -0.15 0.07 0.09 0.00 -1.56 0.00 0.00 34.95 33.39 1oi8 s ARG 303 CO 0.06 -0.23 0.87 0.09 -0.81 0.00 0.00 175.30 175.27 1oi8 n ASN 304 N 5.00 -3.72 0.00 -2.12 3.02 -1.26 -1.54 115.26 114.63 1oi8 n ASN 304 Ca -0.13 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1oi8 n ASN 304 Cb 0.51 -3.60 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 1oi8 n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oi8 n GLY 305 N -1.64 2.75 3.75 7.41 0.00 -1.26 -5.03 105.19 111.16 1oi8 n GLY 305 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1oi8 n GLY 305 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 306 N -0.40 4.63 -0.16 1.61 2.02 -0.59 -5.03 118.70 120.77 1oi8 s GLU 306 Ca 0.00 1.27 -0.00 0.00 0.02 0.00 0.00 54.97 56.25 1oi8 s GLU 306 Cb 0.00 -3.34 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 1oi8 s GLU 306 CO 0.00 0.35 -0.13 -1.64 0.02 0.00 0.00 175.26 173.86 1oi8 s MET 307 N -0.41 3.27 -0.12 1.61 -1.94 -1.26 -1.37 119.30 119.08 1oi8 s MET 307 Ca 0.41 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.71 1oi8 s MET 307 Cb -0.23 -2.69 0.01 0.00 2.01 0.00 0.00 34.83 33.93 1oi8 s MET 307 CO 0.27 0.02 -0.23 0.15 -0.01 0.00 0.00 175.02 175.22 1oi8 s LYS 308 N 0.83 3.03 -0.22 2.03 1.02 -0.26 -4.97 119.74 121.21 1oi8 s LYS 308 Ca -0.04 -0.87 -0.29 0.00 0.02 0.00 0.00 55.97 54.79 1oi8 s LYS 308 Cb -0.15 -2.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 1oi8 s LYS 308 CO 0.00 0.08 1.11 1.41 -0.92 0.00 0.00 175.35 177.02 1oi8 s MET 309 N 0.59 4.22 -0.10 1.68 -2.45 -1.26 -0.94 119.30 121.04 1oi8 s MET 309 Ca -0.13 1.40 -0.13 0.00 -1.25 0.00 0.00 55.69 55.58 1oi8 s MET 309 Cb -0.17 -3.69 -0.27 0.00 1.25 0.00 0.00 34.83 31.96 1oi8 s MET 309 CO 0.03 -0.69 0.51 -0.39 1.05 0.00 0.00 175.02 175.53 1oi8 h VAL 310 N 5.50 0.91 -3.84 10.11 -1.51 -0.80 -3.48 116.25 123.14 1oi8 h VAL 310 Ca -0.21 -2.39 -0.20 0.00 -1.23 0.00 0.00 66.70 62.67 1oi8 h VAL 310 Cb 1.07 2.64 -0.25 0.00 -2.13 0.00 0.00 31.29 32.63 1oi8 h VAL 310 CO 0.98 0.75 -0.70 0.20 -1.23 0.00 0.00 177.57 177.57 1oi8 s ASN 311 N -7.07 0.11 -0.04 4.19 0.02 -1.17 -5.01 114.94 105.97 1oi8 s ASN 311 Ca -0.20 -0.23 0.03 0.00 -1.02 0.00 0.00 52.86 51.44 1oi8 s ASN 311 Cb 0.05 0.06 0.00 0.00 0.02 0.00 0.00 41.25 41.38 1oi8 s ASN 311 CO 0.77 -0.15 -0.13 -0.47 0.02 0.00 0.00 177.10 177.14 1oi8 s TYR 312 N -0.72 1.34 0.06 2.20 5.04 -1.26 -0.75 117.35 123.27 1oi8 s TYR 312 Ca -0.08 -0.37 -0.12 0.00 -2.44 0.00 0.00 57.07 54.07 1oi8 s TYR 312 Cb -0.05 -0.93 0.01 0.00 0.35 0.00 0.00 41.96 41.35 1oi8 s TYR 312 CO -0.00 -0.14 0.25 1.14 -1.34 0.00 0.00 175.55 175.46 1oi8 s GLN 313 N 0.13 0.80 -0.35 4.97 -2.07 -0.60 -4.65 119.66 117.89 1oi8 s GLN 313 Ca -0.04 -0.64 -0.11 0.00 -1.82 0.00 0.00 55.36 52.75 1oi8 s GLN 313 Cb -0.10 0.34 0.02 0.00 -1.09 0.00 0.00 33.01 32.17 1oi8 s GLN 313 CO 0.01 -0.25 0.19 -0.51 -1.32 0.00 0.00 175.29 173.41 1oi8 s LEU 314 N -2.27 4.51 -0.32 2.60 1.43 -1.26 -0.97 118.68 122.40 1oi8 s LEU 314 Ca -0.03 -0.82 -0.20 0.00 -1.03 0.00 0.00 54.13 52.06 1oi8 s LEU 314 Cb 0.00 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 1oi8 s LEU 314 CO -0.06 -0.32 0.59 -0.63 0.23 0.00 0.00 176.35 176.17 1oi8 s ILE 315 N 1.58 4.96 0.32 -0.59 1.01 -0.14 -4.71 121.20 123.62 1oi8 s ILE 315 Ca 0.03 0.70 -0.29 0.00 0.00 0.00 0.00 60.65 61.09 1oi8 s ILE 315 Cb -0.18 -3.98 -0.10 0.00 0.01 0.00 0.00 42.46 38.20 1oi8 s ILE 315 CO 0.07 -0.16 1.36 -2.84 0.00 0.00 0.00 174.94 173.36 1oi8 s PRO 316 N 2.55 4.30 -1.04 2.79 0.02 -1.26 -0.99 135.00 141.37 1oi8 s PRO 316 Ca 0.23 2.29 -0.10 0.00 0.02 0.00 0.00 61.00 63.44 1oi8 s PRO 316 Cb -0.15 -3.06 0.26 0.00 0.02 0.00 0.00 34.50 31.57 1oi8 s PRO 316 CO 0.12 -0.29 1.02 0.08 -0.33 0.00 0.00 177.00 177.60 1oi8 s VAL 317 N -0.89 5.86 -1.46 3.83 1.01 -0.22 -4.63 120.40 123.89 1oi8 s VAL 317 Ca 0.52 -3.21 -0.08 0.00 0.00 0.00 0.00 61.98 59.21 1oi8 s VAL 317 Cb -0.41 -4.54 0.03 0.00 0.00 0.00 0.00 36.38 31.46 1oi8 s VAL 317 CO 0.52 -1.14 0.74 0.59 0.00 0.00 0.00 175.10 175.81 1oi8 n ASN 318 N 3.00 -5.47 -4.78 3.32 3.02 -1.26 -1.07 115.26 112.03 1oi8 n ASN 318 Ca 0.21 -0.43 -0.34 0.00 -0.03 0.00 0.00 54.58 53.99 1oi8 n ASN 318 Cb 0.41 -4.40 0.01 0.00 -0.61 0.00 0.00 39.78 35.18 1oi8 n ASN 318 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1oi8 s LEU 319 N -6.85 3.69 0.02 3.41 1.43 -1.26 -3.95 118.68 115.16 1oi8 s LEU 319 Ca 0.43 2.10 -0.02 0.00 -1.03 0.00 0.00 54.13 55.61 1oi8 s LEU 319 Cb -0.20 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.43 1oi8 s LEU 319 CO 0.53 -1.24 0.02 -0.54 0.23 0.00 0.00 176.35 175.36 1oi8 s LYS 320 N -3.45 0.41 -0.03 1.70 1.02 -1.26 -1.85 119.74 116.28 1oi8 s LYS 320 Ca 0.71 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 56.13 1oi8 s LYS 320 Cb -0.22 0.15 -0.02 0.00 -0.52 0.00 0.00 37.83 37.22 1oi8 s LYS 320 CO 0.29 -0.08 -0.20 -1.59 -0.92 0.00 0.00 175.35 172.85 1oi8 s LYS 321 N -1.76 2.28 0.14 1.68 -2.85 0.21 -4.87 119.74 114.56 1oi8 s LYS 321 Ca -0.13 -0.83 -0.31 0.00 -1.00 0.00 0.00 55.97 53.70 1oi8 s LYS 321 Cb -0.07 -2.20 -0.09 0.00 -2.06 0.00 0.00 37.83 33.41 1oi8 s LYS 321 CO -0.01 0.59 1.54 0.21 0.10 0.00 0.00 175.35 177.77 1oi8 s LYS 322 N -0.72 4.24 0.16 1.78 2.20 -1.26 -1.46 119.74 124.68 1oi8 s LYS 322 Ca 0.11 2.29 0.05 0.00 -0.36 0.00 0.00 55.97 58.06 1oi8 s LYS 322 Cb -0.10 -3.24 -0.04 0.00 -1.51 0.00 0.00 37.83 32.94 1oi8 s LYS 322 CO 0.00 -0.59 -0.11 0.08 -0.36 0.00 0.00 175.35 174.38 1oi8 s VAL 323 N 1.34 1.27 -0.05 4.02 1.01 0.64 -4.94 120.40 123.69 1oi8 s VAL 323 Ca 0.69 -2.09 0.01 0.00 0.00 0.00 0.00 61.98 60.60 1oi8 s VAL 323 Cb -0.42 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1oi8 s VAL 323 CO 0.31 -0.72 -0.06 0.42 0.00 0.00 0.00 175.10 175.06 1oi8 s THR 324 N -3.27 0.65 0.87 3.92 -4.23 -1.26 -1.57 115.64 110.75 1oi8 s THR 324 Ca 0.18 -0.18 -0.12 0.00 -1.18 0.00 0.00 61.69 60.38 1oi8 s THR 324 Cb 0.02 -0.65 0.14 0.00 1.34 0.00 0.00 72.50 73.35 1oi8 s THR 324 CO 0.02 0.25 1.22 0.26 -0.54 0.00 0.00 174.62 175.83 1oi8 s TRP 325 N 0.90 2.12 0.14 3.99 0.52 -0.15 -4.96 118.94 121.50 1oi8 s TRP 325 Ca -0.11 0.39 -0.19 0.00 0.02 0.00 0.00 56.10 56.21 1oi8 s TRP 325 Cb -0.15 -3.74 0.02 0.00 -1.15 0.00 0.00 33.47 28.45 1oi8 s TRP 325 CO 0.01 -2.18 1.68 0.93 0.02 0.00 0.00 176.95 177.41 1oi8 h GLU 326 N -1.26 -0.03 -0.05 4.98 5.08 -2.01 -1.62 114.58 119.66 1oi8 h GLU 326 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1oi8 h GLU 326 Cb 1.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1oi8 h GLU 326 CO 0.48 -0.02 0.00 -0.40 -1.00 0.00 0.00 179.01 178.07 1oi8 n ASP 327 N -5.26 0.05 0.00 1.42 5.75 -1.26 -4.83 116.55 112.42 1oi8 n ASP 327 Ca -0.01 -1.24 0.00 0.00 -0.01 0.00 0.00 54.79 53.54 1oi8 n ASP 327 Cb 0.18 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 1oi8 n ASP 327 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oi8 n GLY 328 N 0.12 1.44 3.69 6.12 0.00 -0.61 -5.03 105.19 110.93 1oi8 n GLY 328 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1oi8 n GLY 328 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oi8 s LYS 329 N -0.39 4.13 -0.11 1.61 2.20 -1.26 -4.76 119.74 121.17 1oi8 s LYS 329 Ca 0.00 2.61 -0.04 0.00 -0.36 0.00 0.00 55.97 58.17 1oi8 s LYS 329 Cb 0.00 -3.61 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 1oi8 s LYS 329 CO 0.00 -0.85 0.06 0.45 -0.36 0.00 0.00 175.35 174.65 1oi8 s SER 330 N 2.79 5.71 0.21 1.43 0.15 -1.26 -0.98 113.70 121.75 1oi8 s SER 330 Ca 0.81 0.27 -0.10 0.00 0.70 0.00 0.00 55.95 57.64 1oi8 s SER 330 Cb -0.46 -1.74 -0.01 0.00 -1.71 0.00 0.00 66.02 62.09 1oi8 s SER 330 CO 0.37 0.38 0.36 -1.83 1.20 0.00 0.00 173.24 173.71 1oi8 s GLU 331 N -0.85 1.37 -0.25 5.44 -1.05 -0.61 -5.00 118.70 117.76 1oi8 s GLU 331 Ca 0.13 -1.30 -0.07 0.00 -0.15 0.00 0.00 54.97 53.59 1oi8 s GLU 331 Cb -0.12 0.41 -0.02 0.00 -0.44 0.00 0.00 34.13 33.96 1oi8 s GLU 331 CO 0.03 -0.53 0.05 1.03 0.95 0.00 0.00 175.26 176.78 1oi8 s ARG 332 N -4.03 3.51 -0.06 -4.83 0.52 -1.26 -0.26 118.95 112.54 1oi8 s ARG 332 Ca 0.24 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 1oi8 s ARG 332 Cb 0.02 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 1oi8 s ARG 332 CO 0.07 -0.23 -0.13 0.08 0.02 0.00 0.00 175.30 175.11 1oi8 s VAL 333 N 1.57 3.17 0.26 3.52 1.01 -0.53 -4.86 120.40 124.54 1oi8 s VAL 333 Ca 0.06 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.06 1oi8 s VAL 333 Cb -0.15 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 1oi8 s VAL 333 CO 0.02 0.59 1.45 -0.76 0.00 0.00 0.00 175.10 176.39 1oi8 s LEU 334 N -0.68 4.38 0.38 3.92 1.43 -1.26 -0.62 118.68 126.23 1oi8 s LEU 334 Ca 0.10 2.71 0.14 0.00 -1.03 0.00 0.00 54.13 56.05 1oi8 s LEU 334 Cb -0.11 -3.63 0.76 0.00 0.03 0.00 0.00 46.19 43.25 1oi8 s LEU 334 CO 0.01 -0.72 1.84 1.88 0.23 0.00 0.00 176.35 179.60 1oi8 h TYR 335 N 4.83 0.00 -4.54 0.29 0.05 -1.72 -3.46 116.97 112.42 1oi8 h TYR 335 Ca -0.46 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.04 1oi8 h TYR 335 Cb 1.22 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.82 1oi8 h TYR 335 CO 0.59 0.35 -0.52 0.95 -1.05 0.00 0.00 178.16 178.49 1oi8 s THR 336 N -4.19 0.00 0.59 -2.88 -4.23 -1.26 -4.89 115.64 98.77 1oi8 s THR 336 Ca -0.03 -1.92 -0.19 0.00 -1.18 0.00 0.00 61.69 58.37 1oi8 s THR 336 Cb 0.14 -2.48 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 1oi8 s THR 336 CO 0.72 0.00 1.09 -2.65 -0.54 0.00 0.00 174.62 173.23 1oi8 n PRO 337 N -0.38 1.10 -1.82 3.99 -0.02 -1.26 -4.90 135.00 131.71 1oi8 n PRO 337 Ca 0.03 0.42 -0.40 0.00 -2.02 0.00 0.00 63.50 61.53 1oi8 n PRO 337 Cb 0.65 -2.29 0.01 0.00 -0.02 0.00 0.00 33.50 31.85 1oi8 n PRO 337 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1oi8 s GLU 338 N -2.82 3.77 -0.18 -0.52 2.12 -1.26 -4.82 118.70 114.99 1oi8 s GLU 338 Ca 0.75 2.41 -0.04 0.00 0.36 0.00 0.00 54.97 58.45 1oi8 s GLU 338 Cb -0.42 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1oi8 s GLU 338 CO 0.47 -0.75 -0.03 0.42 -0.54 0.00 0.00 175.26 174.84 1oi8 s ILE 339 N -1.20 3.86 0.42 -3.70 1.01 -1.26 -5.07 121.20 115.26 1oi8 s ILE 339 Ca 0.59 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.64 1oi8 s ILE 339 Cb -0.44 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.24 1oi8 s ILE 339 CO 0.56 0.46 1.16 0.00 0.00 0.00 0.00 174.94 177.13 1oi8 s ALA 340 N 0.68 3.09 -0.02 9.38 0.00 -1.26 -4.87 121.76 128.76 1oi8 s ALA 340 Ca -0.01 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 1oi8 s ALA 340 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 1oi8 s ALA 340 CO 0.02 -0.54 1.19 -1.21 0.00 0.00 0.00 175.76 175.22 1oi8 s GLU 341 N -2.45 4.38 0.14 0.00 2.02 -1.26 -4.38 118.70 117.16 1oi8 s GLU 341 Ca 0.59 1.68 -0.31 0.00 0.02 0.00 0.00 54.97 56.96 1oi8 s GLU 341 Cb -0.29 -3.50 -0.08 0.00 0.10 0.00 0.00 34.13 30.36 1oi8 s GLU 341 CO 0.36 -0.38 1.34 1.21 0.02 0.00 0.00 175.26 177.81 1oi8 s ASN 342 N 1.35 6.88 0.12 -0.19 3.84 -0.64 -4.90 114.94 121.41 1oi8 s ASN 342 Ca 0.56 2.31 0.07 0.00 0.21 0.00 0.00 52.86 56.02 1oi8 s ASN 342 Cb -0.26 -2.59 -0.20 0.00 -0.55 0.00 0.00 41.25 37.65 1oi8 s ASN 342 CO 0.24 -0.58 1.27 1.56 -2.79 0.00 0.00 177.10 176.80 1oi8 h GLN 343 N 6.30 0.00 -0.86 0.43 1.08 -1.94 -2.18 115.11 117.95 1oi8 h GLN 343 Ca -0.43 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.77 1oi8 h GLN 343 Cb 1.21 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 1oi8 h GLN 343 CO 0.83 0.98 0.55 0.37 -0.95 0.00 0.00 178.83 180.60 1oi8 h GLN 344 N 0.00 1.15 -0.29 1.46 4.15 -1.99 -0.60 115.11 118.98 1oi8 h GLN 344 Ca -0.01 -0.08 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 1oi8 h GLN 344 Cb 1.76 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 29.19 1oi8 h GLN 344 CO 0.13 0.78 0.05 1.98 -1.93 0.00 0.00 178.83 179.83 1oi8 h MET 345 N 1.17 0.48 -0.97 1.69 4.05 -1.86 -2.28 114.93 117.21 1oi8 h MET 345 Ca 0.31 -0.13 0.05 0.00 -0.28 0.00 0.00 59.70 59.65 1oi8 h MET 345 Cb -0.10 -0.06 -0.06 0.00 -0.80 0.00 0.00 31.60 30.59 1oi8 h MET 345 CO -0.06 0.59 0.63 0.82 0.23 0.00 0.00 176.91 179.12 1oi8 h ILE 346 N 0.30 1.13 -0.32 1.77 1.08 -1.03 0.03 117.51 120.48 1oi8 h ILE 346 Ca 0.09 -0.41 -0.13 0.00 -0.39 0.00 0.00 64.86 64.02 1oi8 h ILE 346 Cb 0.34 -0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 1oi8 h ILE 346 CO 0.01 0.22 -0.35 0.28 -0.69 0.00 0.00 178.15 177.62 1oi8 h SER 347 N 1.19 0.74 -0.57 1.72 0.02 -1.01 0.45 113.55 116.08 1oi8 h SER 347 Ca 0.40 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 1oi8 h SER 347 Cb 0.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1oi8 h SER 347 CO -0.14 1.02 -0.02 0.25 -1.14 0.00 0.00 176.83 176.80 1oi8 h LEU 348 N 0.59 1.01 0.00 5.07 5.85 -0.95 -3.35 115.31 123.53 1oi8 h LEU 348 Ca 0.06 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 1oi8 h LEU 348 Cb 0.87 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1oi8 h LEU 348 CO 0.08 1.08 -1.57 0.18 -0.34 0.00 0.00 178.44 177.86 1oi8 n LEU 349 N -4.21 0.44 -0.10 2.25 4.77 -0.04 -4.42 117.00 115.69 1oi8 n LEU 349 Ca 0.02 0.18 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 1oi8 n LEU 349 Cb 0.35 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.48 1oi8 n LEU 349 CO 0.44 -0.01 0.92 0.28 -1.33 0.00 0.00 177.39 177.69 1oi8 h SER 350 N 0.00 0.07 -0.91 -1.43 0.02 -1.05 -1.49 113.55 108.76 1oi8 h SER 350 Ca -0.07 0.05 0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1oi8 h SER 350 Cb 1.18 0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 1oi8 h SER 350 CO 0.01 0.07 0.57 -0.65 -1.14 0.00 0.00 176.83 175.69 1oi8 h PRO 351 N 0.23 1.01 -0.34 3.45 0.11 -1.79 0.80 132.00 135.47 1oi8 h PRO 351 Ca 0.16 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 1oi8 h PRO 351 Cb 0.16 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1oi8 h PRO 351 CO -0.19 0.67 0.07 0.74 -0.21 0.00 0.00 178.00 179.08 1oi8 h PHE 352 N 1.04 0.58 -0.48 0.65 0.04 -1.65 -0.88 116.94 116.24 1oi8 h PHE 352 Ca 0.39 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 61.09 1oi8 h PHE 352 Cb 0.16 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1oi8 h PHE 352 CO -0.02 0.60 0.29 0.37 -0.60 0.00 0.00 178.31 178.94 1oi8 h GLN 353 N 0.39 0.66 -0.05 1.51 5.75 -0.53 -1.78 115.11 121.06 1oi8 h GLN 353 Ca 0.10 -0.06 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1oi8 h GLN 353 Cb 0.32 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 1oi8 h GLN 353 CO 0.00 0.48 -0.07 -0.91 -2.65 0.00 0.00 178.83 175.69 1oi8 h ASN 354 N 0.64 0.15 -0.33 -0.69 2.35 -0.64 -1.75 115.58 115.32 1oi8 h ASN 354 Ca 0.17 -0.51 0.07 0.00 -0.55 0.00 0.00 56.30 55.48 1oi8 h ASN 354 Cb -0.00 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 38.25 1oi8 h ASN 354 CO -0.03 0.63 -0.21 0.50 -1.65 0.00 0.00 177.43 176.67 1oi8 h LYS 355 N -0.33 -0.17 -0.00 0.81 3.64 -1.20 -2.59 116.57 116.73 1oi8 h LYS 355 Ca 0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1oi8 h LYS 355 Cb 0.59 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1oi8 h LYS 355 CO 0.02 -0.11 -0.01 0.78 -2.27 0.00 0.00 179.45 177.85 1oi8 h GLY 356 N -0.17 -0.01 1.00 5.01 0.00 -1.31 -1.53 103.07 106.06 1oi8 h GLY 356 Ca 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1oi8 h GLY 356 CO -0.43 -0.01 0.35 1.70 0.00 0.00 0.00 176.54 178.15 1oi8 h LYS 357 N -0.02 0.80 -0.51 4.80 3.64 -1.28 -1.98 116.57 122.03 1oi8 h LYS 357 Ca 0.01 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1oi8 h LYS 357 Cb 0.03 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1oi8 h LYS 357 CO -0.02 0.58 -0.15 0.00 -2.27 0.00 0.00 179.45 177.59 1oi8 h ALA 358 N 1.18 0.77 -0.39 5.00 0.00 -1.22 -2.51 119.26 122.09 1oi8 h ALA 358 Ca 0.21 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1oi8 h ALA 358 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1oi8 h ALA 358 CO -0.04 0.67 0.01 1.96 0.00 0.00 0.00 179.25 181.85 1oi8 h GLN 359 N 0.87 0.62 -0.00 0.00 4.20 -1.05 -3.11 115.11 116.64 1oi8 h GLN 359 Ca 0.13 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1oi8 h GLN 359 Cb 0.71 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1oi8 h GLN 359 CO 0.05 0.63 -0.33 1.28 -0.67 0.00 0.00 178.83 179.79 1oi8 n LEU 360 N -4.26 0.78 0.01 1.46 4.77 -0.77 -2.96 117.00 116.03 1oi8 n LEU 360 Ca 0.02 -0.13 0.14 0.00 -0.03 0.00 0.00 56.01 56.00 1oi8 n LEU 360 Cb 0.26 -0.18 0.56 0.00 -2.33 0.00 0.00 43.42 41.72 1oi8 n LEU 360 CO 0.40 0.16 0.89 -0.62 -1.33 0.00 0.00 177.39 176.88 1oi8 n GLU 361 N -1.00 0.02 -2.01 3.23 1.02 -1.04 -1.12 120.64 119.74 1oi8 n GLU 361 Ca 0.10 0.02 -0.40 0.00 -0.02 0.00 0.00 57.16 56.86 1oi8 n GLU 361 Cb 0.34 -1.52 -0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1oi8 n GLU 361 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1oi8 s VAL 362 N -3.01 2.52 0.14 2.62 -7.23 -1.15 -4.75 120.40 109.53 1oi8 s VAL 362 Ca 0.13 0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.47 1oi8 s VAL 362 Cb 0.18 -3.28 -0.07 0.00 0.56 0.00 0.00 36.38 33.77 1oi8 s VAL 362 CO 0.56 0.08 1.23 -0.75 -0.31 0.00 0.00 175.10 175.90 1oi8 s LYS 363 N -2.22 4.45 -0.00 4.82 2.20 -1.26 -2.67 119.74 125.05 1oi8 s LYS 363 Ca 0.56 1.88 0.04 0.00 -0.36 0.00 0.00 55.97 58.10 1oi8 s LYS 363 Cb -0.39 -3.27 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 1oi8 s LYS 363 CO 0.51 -0.19 0.14 0.44 -0.36 0.00 0.00 175.35 175.89 1oi8 n ILE 364 N 3.07 0.00 -3.09 5.43 -5.35 0.01 -4.94 119.36 114.49 1oi8 n ILE 364 Ca 0.07 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1oi8 n ILE 364 Cb 0.45 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1oi8 n ILE 364 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oi8 n GLY 365 N 1.72 0.91 3.27 3.28 0.00 -1.09 -4.22 105.19 109.07 1oi8 n GLY 365 Ca -0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1oi8 n GLY 365 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1oi8 s GLU 366 N 0.35 1.03 0.03 1.61 -1.05 -1.26 -0.60 118.70 118.80 1oi8 s GLU 366 Ca 0.00 -1.14 0.02 0.00 -0.15 0.00 0.00 54.97 53.70 1oi8 s GLU 366 Cb 0.00 0.35 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 1oi8 s GLU 366 CO 0.00 -0.35 -0.06 -0.08 0.95 0.00 0.00 175.26 175.71 1oi8 s THR 367 N -3.94 0.46 -2.04 1.83 -1.32 -0.44 -0.55 115.64 109.64 1oi8 s THR 367 Ca 0.14 -0.77 0.14 0.00 -1.21 0.00 0.00 61.69 59.99 1oi8 s THR 367 Cb 0.04 -0.49 0.40 0.00 -1.51 0.00 0.00 72.50 70.94 1oi8 s THR 367 CO -0.03 -0.22 1.35 -0.46 -2.21 0.00 0.00 174.62 173.04 1oi8 n ASN 368 N 1.98 2.34 -3.53 8.08 6.94 -0.68 -1.78 115.26 128.61 1oi8 n ASN 368 Ca -0.19 -1.98 -0.08 0.00 -0.02 0.00 0.00 54.58 52.31 1oi8 n ASN 368 Cb 0.56 -0.28 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1oi8 n ASN 368 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1oi8 s GLY 369 N -1.06 -0.44 0.18 4.83 0.00 -1.26 -4.90 107.32 104.68 1oi8 s GLY 369 Ca 0.30 0.89 -0.31 0.00 0.00 0.00 0.00 44.72 45.61 1oi8 s GLY 369 CO 0.21 0.29 1.40 -1.60 0.00 0.00 0.00 173.10 173.40 1oi8 s ARG 370 N -3.15 4.31 -0.38 2.90 3.52 -1.26 -3.94 118.95 120.96 1oi8 s ARG 370 Ca 0.06 2.17 -0.14 0.00 -0.13 0.00 0.00 55.73 57.68 1oi8 s ARG 370 Cb -0.01 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1oi8 s ARG 370 CO -0.08 -0.40 0.30 -0.51 -0.81 0.00 0.00 175.30 173.80 1oi8 s LEU 371 N 0.33 4.81 -0.47 -0.88 1.43 0.41 -4.91 118.68 119.40 1oi8 s LEU 371 Ca 0.61 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.78 1oi8 s LEU 371 Cb -0.39 -2.19 0.03 0.00 0.03 0.00 0.00 46.19 43.67 1oi8 s LEU 371 CO 0.36 -0.38 1.12 -0.70 0.23 0.00 0.00 176.35 176.98 1oi8 s GLU 372 N 1.78 3.72 -0.06 1.70 2.56 -1.26 -1.97 118.70 125.17 1oi8 s GLU 372 Ca 0.07 0.54 0.09 0.00 0.00 0.00 0.00 54.97 55.67 1oi8 s GLU 372 Cb -0.18 -3.90 0.13 0.00 2.00 0.00 0.00 34.13 32.18 1oi8 s GLU 372 CO 0.11 -1.36 1.02 0.41 -0.56 0.00 0.00 175.26 174.88 1oi8 n GLY 373 N 4.83 2.93 3.77 -1.50 0.00 -1.25 -3.91 105.19 110.05 1oi8 n GLY 373 Ca 0.11 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.24 1oi8 n GLY 373 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oi8 s ASP 374 N -1.77 5.92 0.16 1.61 1.11 -1.26 -3.93 116.67 118.51 1oi8 s ASP 374 Ca 0.15 2.39 -0.16 0.00 0.18 0.00 0.00 52.55 55.11 1oi8 s ASP 374 Cb 0.13 -2.61 0.02 0.00 1.07 0.00 0.00 42.92 41.53 1oi8 s ASP 374 CO 0.01 -1.09 1.82 0.03 1.18 0.00 0.00 175.17 177.12 1oi8 h ARG 375 N 1.83 0.54 0.00 8.23 3.08 -1.96 0.11 114.38 126.21 1oi8 h ARG 375 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1oi8 h ARG 375 Cb 1.26 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1oi8 h ARG 375 CO 0.59 0.36 0.00 -0.40 -1.07 0.00 0.00 179.97 179.45 1oi8 n ASP 376 N -4.80 0.00 -0.08 7.04 5.75 -1.26 -2.12 116.55 121.08 1oi8 n ASP 376 Ca 0.01 0.43 -0.15 0.00 -0.01 0.00 0.00 54.79 55.07 1oi8 n ASP 376 Cb 0.02 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 1oi8 n ASP 376 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1oi8 n LYS 377 N -1.46 0.39 0.18 0.11 4.76 -0.00 -4.52 118.16 117.61 1oi8 n LYS 377 Ca 0.03 0.17 0.14 0.00 -2.87 0.00 0.00 58.31 55.77 1oi8 n LYS 377 Cb 0.11 -1.16 0.55 0.00 -1.84 0.00 0.00 35.03 32.69 1oi8 n LYS 377 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1oi8 h VAL 378 N -0.68 0.00 -0.51 -0.18 -1.51 -0.86 -0.13 116.25 112.37 1oi8 h VAL 378 Ca -0.31 -0.31 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1oi8 h VAL 378 Cb 1.16 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1oi8 h VAL 378 CO -0.19 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.69 1oi8 n ARG 379 N -2.49 2.52 0.00 5.19 1.74 -0.90 -4.33 116.66 118.38 1oi8 n ARG 379 Ca 0.02 -1.98 0.00 0.00 -0.77 0.00 0.00 57.85 55.12 1oi8 n ARG 379 Cb 0.25 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1oi8 n ARG 379 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1oi8 n PHE 380 N 0.95 0.00 -4.17 -1.55 3.01 -0.19 -1.23 117.46 114.27 1oi8 n PHE 380 Ca 0.18 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.53 1oi8 n PHE 380 Cb 0.54 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.91 1oi8 n PHE 380 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1oi8 s VAL 381 N -1.43 0.13 0.08 -4.37 -7.23 -0.42 -4.88 120.40 102.29 1oi8 s VAL 381 Ca 0.00 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 57.92 1oi8 s VAL 381 Cb 0.00 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 1oi8 s VAL 381 CO 0.00 -0.33 1.42 -1.10 -0.31 0.00 0.00 175.10 174.78 1oi8 s GLN 382 N -4.07 4.30 0.35 4.82 -1.52 -1.26 -4.43 119.66 117.85 1oi8 s GLN 382 Ca 0.28 2.08 0.09 0.00 -1.95 0.00 0.00 55.36 55.87 1oi8 s GLN 382 Cb 0.07 -3.36 -0.06 0.00 -0.22 0.00 0.00 33.01 29.45 1oi8 s GLN 382 CO 0.05 -0.50 -0.02 0.95 -0.25 0.00 0.00 175.29 175.51 1oi8 s THR 383 N 1.56 2.42 0.16 -0.19 -4.23 -1.26 -4.80 115.64 109.30 1oi8 s THR 383 Ca 0.65 -2.06 0.27 0.00 -1.18 0.00 0.00 61.69 59.38 1oi8 s THR 383 Cb -0.36 -2.76 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1oi8 s THR 383 CO 0.30 -0.18 1.90 -0.55 -0.54 0.00 0.00 174.62 175.55 1oi8 h ASN 384 N 1.88 0.00 -0.31 3.99 7.08 -1.80 -2.40 115.58 124.01 1oi8 h ASN 384 Ca -0.43 0.00 -0.18 0.00 -3.08 0.00 0.00 56.30 52.62 1oi8 h ASN 384 Cb 1.25 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1oi8 h ASN 384 CO 0.69 0.15 -0.50 -0.03 -2.08 0.00 0.00 177.43 175.66 1oi8 h MET 385 N 0.00 0.90 -0.38 4.14 4.05 -1.86 0.99 114.93 122.77 1oi8 h MET 385 Ca -0.00 -0.54 0.01 0.00 -0.28 0.00 0.00 59.70 58.88 1oi8 h MET 385 Cb 0.63 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1oi8 h MET 385 CO 0.02 1.19 0.24 0.78 0.23 0.00 0.00 176.91 179.37 1oi8 h GLY 386 N 0.69 0.53 1.25 1.39 0.00 -1.73 -0.82 103.07 104.38 1oi8 h GLY 386 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1oi8 h GLY 386 CO 0.12 0.18 0.11 3.21 0.00 0.00 0.00 176.54 180.15 1oi8 h ARG 387 N 0.49 0.93 0.18 4.80 2.47 -1.12 -0.72 114.38 121.41 1oi8 h ARG 387 Ca 0.14 -0.22 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1oi8 h ARG 387 Cb -0.04 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.16 1oi8 h ARG 387 CO -0.04 0.86 -0.09 1.25 0.56 0.00 0.00 179.97 182.50 1oi8 h LEU 388 N 0.89 -0.21 -0.30 3.04 5.85 -0.46 -0.15 115.31 123.97 1oi8 h LEU 388 Ca 0.18 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1oi8 h LEU 388 Cb 0.37 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1oi8 h LEU 388 CO 0.01 0.04 -0.03 0.40 -0.34 0.00 0.00 178.44 178.52 1oi8 h ILE 389 N -0.46 0.75 -0.10 4.05 2.04 -1.04 -1.40 117.51 121.35 1oi8 h ILE 389 Ca -0.03 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.72 1oi8 h ILE 389 Cb 0.36 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1oi8 h ILE 389 CO 0.04 0.01 -0.39 -0.07 0.00 0.00 0.00 178.15 177.74 1oi8 h LEU 390 N 0.05 0.23 -0.73 1.44 3.38 -1.12 -1.48 115.31 117.08 1oi8 h LEU 390 Ca 0.14 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1oi8 h LEU 390 Cb 0.20 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1oi8 h LEU 390 CO -0.26 0.60 0.44 0.00 0.09 0.00 0.00 178.44 179.31 1oi8 h ALA 391 N 1.41 0.93 -0.62 1.53 0.00 -0.66 0.16 119.26 122.01 1oi8 h ALA 391 Ca 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1oi8 h ALA 391 Cb 0.78 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1oi8 h ALA 391 CO 0.06 0.41 0.33 0.00 0.00 0.00 0.00 179.25 180.05 1oi8 h ALA 392 N 1.23 0.80 -0.36 0.00 0.00 -0.56 -1.57 119.26 118.80 1oi8 h ALA 392 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1oi8 h ALA 392 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1oi8 h ALA 392 CO -0.05 0.33 -0.27 1.96 0.00 0.00 0.00 179.25 181.22 1oi8 h GLN 393 N 0.85 0.76 -0.32 0.00 4.20 -1.00 -2.13 115.11 117.46 1oi8 h GLN 393 Ca 0.22 -0.33 -0.12 0.00 0.06 0.00 0.00 58.65 58.48 1oi8 h GLN 393 Cb 0.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 1oi8 h GLN 393 CO -0.03 0.94 -0.30 0.52 -0.67 0.00 0.00 178.83 179.29 1oi8 h MET 394 N 0.65 0.67 -0.53 1.46 2.86 -0.83 -2.61 114.93 116.60 1oi8 h MET 394 Ca 0.08 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.32 1oi8 h MET 394 Cb 0.79 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 1oi8 h MET 394 CO 0.07 0.89 -0.10 0.22 1.06 0.00 0.00 176.91 179.05 1oi8 h ASP 395 N 0.57 0.97 -0.02 1.22 3.58 -1.15 0.99 116.42 122.59 1oi8 h ASP 395 Ca 0.07 -0.31 -0.18 0.00 0.42 0.00 0.00 57.03 57.03 1oi8 h ASP 395 Cb 0.80 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1oi8 h ASP 395 CO 0.07 1.08 -0.63 -0.09 -2.88 0.00 0.00 179.24 176.79 1oi8 h ARG 396 N 0.87 0.63 -0.00 0.28 9.65 -1.30 -3.29 114.38 121.22 1oi8 h ARG 396 Ca 0.14 -0.44 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 1oi8 h ARG 396 Cb 0.64 0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1oi8 h ARG 396 CO 0.04 1.06 -0.74 0.25 2.80 0.00 0.00 179.97 183.39 1oi8 n THR 397 N -3.94 0.00 -1.37 0.20 -2.24 -0.99 -4.97 114.28 100.97 1oi8 n THR 397 Ca -0.04 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1oi8 n THR 397 Cb 0.66 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 1oi8 n THR 397 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oi8 n GLY 398 N 1.49 0.86 3.78 3.38 0.00 0.28 -5.01 105.19 109.98 1oi8 n GLY 398 Ca 0.05 -0.66 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1oi8 n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oi8 s ALA 399 N -2.31 2.69 -0.01 4.61 0.00 -0.82 -4.91 121.76 121.01 1oi8 s ALA 399 Ca 0.00 0.61 0.05 0.00 0.00 0.00 0.00 51.96 52.62 1oi8 s ALA 399 Cb 0.00 -3.30 -0.24 0.00 0.00 0.00 0.00 23.12 19.58 1oi8 s ALA 399 CO 0.00 -0.81 0.81 -0.44 0.00 0.00 0.00 175.76 175.32 1oi8 h ASP 400 N 0.81 0.16 -5.41 0.00 3.32 -0.82 -3.46 116.42 111.02 1oi8 h ASP 400 Ca -0.48 -0.26 -0.21 0.00 0.02 0.00 0.00 57.03 56.10 1oi8 h ASP 400 Cb 1.24 -0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.67 1oi8 h ASP 400 CO 0.57 1.22 -0.12 0.72 -1.72 0.00 0.00 179.24 179.91 1oi8 s PHE 401 N -2.62 0.83 0.07 4.55 -0.71 -1.03 -4.72 117.98 114.35 1oi8 s PHE 401 Ca -0.07 -1.14 -0.26 0.00 -1.04 0.00 0.00 56.93 54.42 1oi8 s PHE 401 Cb 0.08 0.08 0.08 0.00 -1.21 0.00 0.00 43.02 42.05 1oi8 s PHE 401 CO 0.83 -1.17 0.71 0.00 -1.34 0.00 0.00 175.22 174.24 1oi8 s ALA 402 N -3.10 -1.70 -0.05 1.99 0.00 -0.90 -1.45 121.76 116.55 1oi8 s ALA 402 Ca 0.27 0.79 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 1oi8 s ALA 402 Cb -0.01 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1oi8 s ALA 402 CO 0.17 -0.68 0.36 0.54 0.00 0.00 0.00 175.76 176.16 1oi8 s VAL 403 N -3.14 0.04 0.19 0.00 0.11 -0.97 -1.38 120.40 115.25 1oi8 s VAL 403 Ca 0.01 -0.30 -0.15 0.00 -2.93 0.00 0.00 61.98 58.61 1oi8 s VAL 403 Cb -0.01 -0.62 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1oi8 s VAL 403 CO -0.08 -0.17 0.45 0.00 -3.33 0.00 0.00 175.10 171.97 1oi8 s MET 404 N -0.88 1.32 0.18 1.54 0.23 -0.86 -4.31 119.30 116.53 1oi8 s MET 404 Ca -0.09 -0.97 -0.30 0.00 -1.03 0.00 0.00 55.69 53.29 1oi8 s MET 404 Cb -0.04 0.48 -0.08 0.00 -1.53 0.00 0.00 34.83 33.65 1oi8 s MET 404 CO 0.04 -0.54 1.20 -1.12 -2.03 0.00 0.00 175.02 172.57 1oi8 s SER 405 N -2.91 7.08 0.54 -1.18 0.01 -1.26 -0.85 113.70 115.13 1oi8 s SER 405 Ca 0.12 2.23 0.22 0.00 1.31 0.00 0.00 55.95 59.83 1oi8 s SER 405 Cb 0.00 -2.61 1.45 0.00 0.21 0.00 0.00 66.02 65.08 1oi8 s SER 405 CO -0.02 -0.38 2.16 1.23 0.41 0.00 0.00 173.24 176.65 1oi8 h GLY 406 N 5.28 0.00 1.98 3.44 0.00 -0.37 -0.26 103.07 113.14 1oi8 h GLY 406 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1oi8 h GLY 406 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1oi8 n GLY 407 N -1.32 -0.99 0.20 4.60 0.00 -0.19 -2.01 105.19 105.48 1oi8 n GLY 407 Ca -0.03 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1oi8 n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 408 N -0.00 -0.68 3.49 -0.02 0.00 -0.11 -4.72 105.19 103.14 1oi8 n GLY 408 Ca 0.04 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.34 1oi8 n GLY 408 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oi8 s ILE 409 N -2.30 5.00 -1.11 -0.61 1.01 -0.85 -4.79 121.20 117.54 1oi8 s ILE 409 Ca 0.33 -0.31 0.13 0.00 0.00 0.00 0.00 60.65 60.80 1oi8 s ILE 409 Cb 0.20 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1oi8 s ILE 409 CO 0.43 0.01 0.72 0.54 0.00 0.00 0.00 174.94 176.64 1oi8 n ARG 410 N 5.05 2.03 -3.78 2.79 5.12 -0.94 -4.89 116.66 122.05 1oi8 n ARG 410 Ca -0.13 -0.58 -0.02 0.00 -1.93 0.00 0.00 57.85 55.19 1oi8 n ARG 410 Cb 0.49 -1.18 -0.00 0.00 -1.16 0.00 0.00 32.46 30.62 1oi8 n ARG 410 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1oi8 s ASP 411 N -1.78 -0.09 0.39 0.55 -1.08 -1.24 -4.76 116.67 108.66 1oi8 s ASP 411 Ca 0.10 -0.45 0.07 0.00 -0.52 0.00 0.00 52.55 51.76 1oi8 s ASP 411 Cb 0.11 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 42.00 1oi8 s ASP 411 CO 0.38 -0.82 0.53 -0.44 0.52 0.00 0.00 175.17 175.34 1oi8 s SER 412 N -3.12 5.79 -0.11 -0.34 0.01 -1.26 -3.94 113.70 110.72 1oi8 s SER 412 Ca 0.16 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 57.09 1oi8 s SER 412 Cb -0.01 -0.90 0.03 0.00 0.21 0.00 0.00 66.02 65.35 1oi8 s SER 412 CO 0.02 -0.63 -0.05 -0.63 0.41 0.00 0.00 173.24 172.36 1oi8 s ILE 413 N -2.28 0.85 0.63 1.44 1.01 -0.83 -4.89 121.20 117.13 1oi8 s ILE 413 Ca 0.51 -0.20 -0.15 0.00 0.00 0.00 0.00 60.65 60.81 1oi8 s ILE 413 Cb -0.10 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1oi8 s ILE 413 CO 0.32 0.32 1.08 -1.61 0.00 0.00 0.00 174.94 175.05 1oi8 s GLU 414 N 1.78 3.05 0.45 2.79 0.41 -1.26 -0.44 118.70 125.47 1oi8 s GLU 414 Ca 0.05 1.28 -0.24 0.00 -0.41 0.00 0.00 54.97 55.65 1oi8 s GLU 414 Cb -0.13 -1.99 -0.10 0.00 -1.78 0.00 0.00 34.13 30.14 1oi8 s GLU 414 CO -0.07 -1.03 1.03 0.00 -0.49 0.00 0.00 175.26 174.69 1oi8 n ALA 415 N -2.26 0.31 0.00 5.21 0.00 -1.25 -4.69 120.51 117.83 1oi8 n ALA 415 Ca 0.09 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1oi8 n ALA 415 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1oi8 n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oi8 n GLY 416 N 1.16 0.22 3.78 0.00 0.00 -0.73 -4.96 105.19 104.65 1oi8 n GLY 416 Ca 0.10 -2.01 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1oi8 n GLY 416 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oi8 s ASP 417 N -4.00 7.17 -0.13 1.61 1.01 -1.26 -1.32 116.67 119.74 1oi8 s ASP 417 Ca 0.00 1.94 0.00 0.00 0.71 0.00 0.00 52.55 55.21 1oi8 s ASP 417 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 1oi8 s ASP 417 CO 0.00 -0.19 -0.14 -0.63 0.21 0.00 0.00 175.17 174.41 1oi8 s ILE 418 N -1.57 2.89 0.37 0.77 1.01 0.23 -4.92 121.20 119.98 1oi8 s ILE 418 Ca 0.52 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.53 1oi8 s ILE 418 Cb -0.21 -2.21 -0.02 0.00 0.01 0.00 0.00 42.46 40.03 1oi8 s ILE 418 CO 0.27 0.52 0.34 -0.94 0.00 0.00 0.00 174.94 175.14 1oi8 s SER 419 N 0.44 5.24 0.28 3.58 1.04 -1.26 -0.81 113.70 122.21 1oi8 s SER 419 Ca -0.11 -0.57 0.01 0.00 0.48 0.00 0.00 55.95 55.76 1oi8 s SER 419 Cb -0.16 -0.82 0.60 0.00 0.10 0.00 0.00 66.02 65.74 1oi8 s SER 419 CO 0.05 -0.49 1.78 1.88 0.98 0.00 0.00 173.24 177.44 1oi8 h TYR 420 N 1.12 0.92 -0.85 5.02 0.05 -1.27 -2.69 116.97 119.27 1oi8 h TYR 420 Ca -0.43 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.38 1oi8 h TYR 420 Cb 1.26 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 38.69 1oi8 h TYR 420 CO 0.51 0.24 0.52 -0.22 -1.05 0.00 0.00 178.16 178.17 1oi8 h LYS 421 N 0.72 1.15 -0.61 4.88 1.63 -1.44 -2.08 116.57 120.82 1oi8 h LYS 421 Ca 0.50 -0.10 0.12 0.00 -0.85 0.00 0.00 60.65 60.33 1oi8 h LYS 421 Cb 0.70 -0.24 -0.09 0.00 -0.60 0.00 0.00 32.23 32.00 1oi8 h LYS 421 CO -0.35 0.80 0.11 -0.91 -3.45 0.00 0.00 179.45 175.64 1oi8 h ASN 422 N 1.17 -0.05 -0.21 4.20 -0.26 -1.76 -1.30 115.58 117.36 1oi8 h ASN 422 Ca 0.31 0.12 -0.07 0.00 -0.56 0.00 0.00 56.30 56.10 1oi8 h ASN 422 Cb -0.06 0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.37 1oi8 h ASN 422 CO -0.06 -0.02 -0.13 0.58 -1.06 0.00 0.00 177.43 176.74 1oi8 h VAL 423 N 0.23 1.31 -0.61 2.81 2.07 -1.33 -2.78 116.25 117.96 1oi8 h VAL 423 Ca 0.32 -1.23 0.10 0.00 0.82 0.00 0.00 66.70 66.71 1oi8 h VAL 423 Cb 0.49 1.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 1oi8 h VAL 423 CO -0.43 0.38 0.19 0.00 0.02 0.00 0.00 177.57 177.72 1oi8 h LYS 425 N 0.34 0.48 -0.22 0.00 1.57 -1.17 -1.08 116.57 116.48 1oi8 h LYS 425 Ca 0.31 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.82 1oi8 h LYS 425 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1oi8 h LYS 425 CO -0.35 0.44 -0.64 0.28 -0.57 0.00 0.00 179.45 178.61 1oi8 h VAL 426 N 0.47 1.28 -2.18 0.50 2.07 -1.09 -3.29 116.25 114.01 1oi8 h VAL 426 Ca 0.11 -1.84 -0.58 0.00 0.82 0.00 0.00 66.70 65.21 1oi8 h VAL 426 Cb 0.18 1.79 -0.40 0.00 -1.52 0.00 0.00 31.29 31.34 1oi8 h VAL 426 CO -0.00 0.59 -0.94 0.00 0.02 0.00 0.00 177.57 177.24 1oi8 n GLN 427 N -3.97 1.06 0.01 1.57 1.13 -0.48 -2.21 117.38 114.50 1oi8 n GLN 427 Ca -0.05 -3.60 0.13 0.00 -1.94 0.00 0.00 57.00 51.53 1oi8 n GLN 427 Cb 0.67 -1.59 0.38 0.00 0.11 0.00 0.00 30.24 29.81 1oi8 n GLN 427 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1oi8 n PRO 428 N 1.60 0.03 -0.01 -1.09 -0.04 -0.45 -4.48 135.00 130.56 1oi8 n PRO 428 Ca 0.24 0.01 0.10 0.00 -0.04 0.00 0.00 63.50 63.82 1oi8 n PRO 428 Cb 0.48 -1.52 0.09 0.00 -0.04 0.00 0.00 33.50 32.51 1oi8 n PRO 428 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oi8 n PHE 429 N -1.56 0.02 -2.52 0.54 3.72 -1.26 -3.35 117.46 113.03 1oi8 n PHE 429 Ca 0.06 -0.01 -0.10 0.00 -0.05 0.00 0.00 57.45 57.35 1oi8 n PHE 429 Cb 0.35 -0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1oi8 n PHE 429 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oi8 n GLY 430 N 1.14 0.13 3.77 1.37 0.00 -1.26 -4.93 105.19 105.41 1oi8 n GLY 430 Ca 0.12 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1oi8 n GLY 430 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oi8 s ASN 431 N -2.83 5.68 -0.13 1.61 0.02 -1.26 -4.84 114.94 113.20 1oi8 s ASN 431 Ca 0.11 2.23 -0.07 0.00 -1.02 0.00 0.00 52.86 54.11 1oi8 s ASN 431 Cb -0.05 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.59 1oi8 s ASN 431 CO 0.14 -1.25 0.14 -0.69 0.02 0.00 0.00 177.10 175.46 1oi8 s VAL 432 N -1.71 5.47 0.08 1.60 1.01 -1.26 -0.63 120.40 124.97 1oi8 s VAL 432 Ca 0.73 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 1oi8 s VAL 432 Cb -0.26 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1oi8 s VAL 432 CO 0.29 0.60 0.94 -0.69 0.00 0.00 0.00 175.10 176.24 1oi8 s VAL 433 N -0.90 4.59 0.27 2.92 1.01 0.64 -0.64 120.40 128.30 1oi8 s VAL 433 Ca 0.14 2.01 0.02 0.00 0.00 0.00 0.00 61.98 64.16 1oi8 s VAL 433 Cb -0.12 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1oi8 s VAL 433 CO 0.03 0.30 0.08 0.68 0.00 0.00 0.00 175.10 176.19 1oi8 s VAL 434 N 0.17 0.74 0.12 2.92 -7.23 -0.02 -2.24 120.40 114.86 1oi8 s VAL 434 Ca 0.47 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1oi8 s VAL 434 Cb -0.23 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 1oi8 s VAL 434 CO 0.29 -0.03 0.18 -0.72 -0.31 0.00 0.00 175.10 174.51 1oi8 s TYR 435 N -3.62 0.43 -0.05 2.82 -0.85 -0.43 -1.53 117.35 114.11 1oi8 s TYR 435 Ca 0.37 -0.83 -0.02 0.00 -0.52 0.00 0.00 57.07 56.07 1oi8 s TYR 435 Cb 0.08 -0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.28 1oi8 s TYR 435 CO 0.14 -0.60 0.09 0.00 -1.52 0.00 0.00 175.55 173.66 1oi8 s ALA 436 N -3.95 -0.08 -0.07 9.51 0.00 -0.36 -0.67 121.76 126.14 1oi8 s ALA 436 Ca 0.14 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.30 1oi8 s ALA 436 Cb 0.05 -0.41 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1oi8 s ALA 436 CO -0.04 -0.19 0.96 -0.51 0.00 0.00 0.00 175.76 175.98 1oi8 s ASP 437 N 1.28 7.25 0.06 0.00 1.01 -0.46 -1.13 116.67 124.68 1oi8 s ASP 437 Ca -0.07 1.52 -0.06 0.00 0.71 0.00 0.00 52.55 54.65 1oi8 s ASP 437 Cb -0.12 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.25 1oi8 s ASP 437 CO -0.05 -0.34 0.11 0.00 0.21 0.00 0.00 175.17 175.10 1oi8 s MET 438 N 1.54 0.71 0.75 8.23 0.23 -0.12 -4.12 119.30 126.52 1oi8 s MET 438 Ca 0.48 -0.96 -0.11 0.00 -1.03 0.00 0.00 55.69 54.07 1oi8 s MET 438 Cb -0.19 0.28 0.04 0.00 -1.53 0.00 0.00 34.83 33.43 1oi8 s MET 438 CO 0.21 -0.19 1.08 0.95 -2.03 0.00 0.00 175.02 175.04 1oi8 s THR 439 N -3.51 3.56 0.41 3.16 -4.23 -1.26 -0.26 115.64 113.51 1oi8 s THR 439 Ca 0.03 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.12 1oi8 s THR 439 Cb 0.04 -3.20 0.27 0.00 1.34 0.00 0.00 72.50 70.95 1oi8 s THR 439 CO -0.09 -0.66 2.05 1.23 -0.54 0.00 0.00 174.62 176.61 1oi8 h GLY 440 N -0.94 0.58 0.92 3.99 0.00 -0.57 0.14 103.07 107.19 1oi8 h GLY 440 Ca -0.45 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 1oi8 h GLY 440 CO 0.57 0.20 0.12 1.70 0.00 0.00 0.00 176.54 179.12 1oi8 h LYS 441 N 0.54 0.36 -0.50 4.80 3.11 -1.64 0.22 116.57 123.47 1oi8 h LYS 441 Ca 0.16 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.91 1oi8 h LYS 441 Cb -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.13 1oi8 h LYS 441 CO -0.04 0.37 0.15 0.93 -2.81 0.00 0.00 179.45 178.05 1oi8 h GLU 442 N 0.27 0.74 -0.62 1.90 5.08 -1.47 -2.29 114.58 118.18 1oi8 h GLU 442 Ca 0.09 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1oi8 h GLU 442 Cb 0.13 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1oi8 h GLU 442 CO -0.01 0.65 0.29 0.28 -1.00 0.00 0.00 179.01 179.22 1oi8 h VAL 443 N 0.72 1.22 -0.12 3.13 2.07 0.10 0.12 116.25 123.49 1oi8 h VAL 443 Ca 0.17 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1oi8 h VAL 443 Cb 0.23 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1oi8 h VAL 443 CO -0.01 0.25 0.02 0.40 0.02 0.00 0.00 177.57 178.26 1oi8 h ILE 444 N 0.86 0.95 -0.61 4.57 2.04 -0.28 -0.87 117.51 124.17 1oi8 h ILE 444 Ca 0.21 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 1oi8 h ILE 444 Cb 0.13 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1oi8 h ILE 444 CO -0.03 0.01 0.21 0.44 0.00 0.00 0.00 178.15 178.78 1oi8 h ASP 445 N 0.07 0.87 0.53 1.72 3.32 -1.02 -2.05 116.42 119.86 1oi8 h ASP 445 Ca 0.05 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 1oi8 h ASP 445 Cb 0.05 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.37 1oi8 h ASP 445 CO -0.07 0.84 -0.25 0.22 -1.72 0.00 0.00 179.24 178.25 1oi8 h TYR 446 N 0.86 -0.65 0.00 4.55 3.20 -0.58 -2.76 116.97 121.59 1oi8 h TYR 446 Ca 0.20 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1oi8 h TYR 446 Cb 0.26 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1oi8 h TYR 446 CO 0.02 -0.34 -0.23 -0.07 -1.64 0.00 0.00 178.16 175.90 1oi8 h LEU 447 N -0.88 0.00 -0.73 2.82 3.38 -1.17 -1.42 115.31 117.31 1oi8 h LEU 447 Ca -0.07 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1oi8 h LEU 447 Cb 0.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1oi8 h LEU 447 CO 0.12 0.23 0.20 0.74 0.09 0.00 0.00 178.44 179.82 1oi8 h THR 448 N 0.00 1.26 -0.11 0.22 2.02 -1.34 -0.24 112.91 114.72 1oi8 h THR 448 Ca -0.00 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.17 1oi8 h THR 448 Cb 0.46 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.36 1oi8 h THR 448 CO 0.03 0.37 -0.16 0.00 0.37 0.00 0.00 175.52 176.13 1oi8 h ALA 449 N 1.10 0.17 -0.39 6.16 0.00 -1.15 -3.22 119.26 121.93 1oi8 h ALA 449 Ca 0.23 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1oi8 h ALA 449 Cb 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1oi8 h ALA 449 CO -0.00 0.07 0.05 0.28 0.00 0.00 0.00 179.25 179.64 1oi8 h VAL 450 N -0.12 1.20 0.00 0.00 2.07 -1.17 -2.10 116.25 116.13 1oi8 h VAL 450 Ca 0.01 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1oi8 h VAL 450 Cb 0.71 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1oi8 h VAL 450 CO 0.04 0.26 0.00 0.00 0.02 0.00 0.00 177.57 177.89 1oi8 n ALA 451 N -2.47 1.40 1.31 1.67 0.00 -0.11 -1.92 120.51 120.39 1oi8 n ALA 451 Ca 0.02 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1oi8 n ALA 451 Cb 0.23 -1.14 0.42 0.00 0.00 0.00 0.00 19.45 18.96 1oi8 n ALA 451 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1oi8 n GLN 452 N -1.50 1.06 -2.16 0.00 6.02 -0.79 -4.87 117.38 115.14 1oi8 n GLN 452 Ca 0.02 -0.62 -0.41 0.00 -0.01 0.00 0.00 57.00 55.99 1oi8 n GLN 452 Cb 0.10 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.85 1oi8 n GLN 452 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1oi8 s MET 453 N -2.37 4.39 0.11 -1.09 -1.94 -0.81 -4.99 119.30 112.61 1oi8 s MET 453 Ca 0.28 2.16 0.02 0.00 -1.71 0.00 0.00 55.69 56.44 1oi8 s MET 453 Cb 0.20 -3.09 -0.04 0.00 2.01 0.00 0.00 34.83 33.91 1oi8 s MET 453 CO 0.47 -0.14 0.25 0.15 -0.01 0.00 0.00 175.02 175.74 1oi8 s LYS 454 N -1.67 3.41 1.00 2.03 1.02 -1.26 -4.75 119.74 119.51 1oi8 s LYS 454 Ca 0.49 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.82 1oi8 s LYS 454 Cb -0.39 -2.98 0.19 0.00 -0.52 0.00 0.00 37.83 34.13 1oi8 s LYS 454 CO 0.51 0.56 1.10 -1.25 -0.92 0.00 0.00 175.35 175.34 1oi8 s PRO 455 N -2.92 0.40 -1.22 -1.68 0.04 -1.26 -3.50 135.00 124.85 1oi8 s PRO 455 Ca 0.34 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1oi8 s PRO 455 Cb -0.12 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1oi8 s PRO 455 CO 0.28 -2.96 0.00 -3.47 0.04 0.00 0.00 177.00 170.89 1oi8 n ASP 456 N -4.43 -4.28 -3.89 6.66 -0.08 -0.37 -5.01 116.55 105.16 1oi8 n ASP 456 Ca 0.08 0.09 -0.11 0.00 -1.51 0.00 0.00 54.79 53.35 1oi8 n ASP 456 Cb 0.53 -3.30 -0.10 0.00 2.34 0.00 0.00 41.12 40.59 1oi8 n ASP 456 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1oi8 s SER 457 N -2.54 0.08 0.55 1.67 1.04 -1.23 -5.04 113.70 108.23 1oi8 s SER 457 Ca 0.00 -0.31 0.25 0.00 0.48 0.00 0.00 55.95 56.37 1oi8 s SER 457 Cb 0.00 0.20 1.47 0.00 0.10 0.00 0.00 66.02 67.79 1oi8 s SER 457 CO 0.00 -0.40 2.05 1.23 0.98 0.00 0.00 173.24 177.10 1oi8 h GLY 458 N 4.16 0.00 2.00 7.32 0.00 -1.91 -2.20 103.07 112.45 1oi8 h GLY 458 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1oi8 h GLY 458 CO 0.43 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.97 1oi8 h ALA 459 N 1.77 1.00 -1.55 3.60 0.00 -1.90 -0.43 119.26 121.75 1oi8 h ALA 459 Ca 0.15 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.33 1oi8 h ALA 459 Cb 0.69 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1oi8 h ALA 459 CO -0.00 0.00 0.85 0.98 0.00 0.00 0.00 179.25 181.08 1oi8 n TYR 460 N -2.80 1.99 -2.83 0.00 9.36 -0.83 -4.58 117.16 117.47 1oi8 n TYR 460 Ca 0.02 0.56 -0.41 0.00 3.32 0.00 0.00 57.90 61.39 1oi8 n TYR 460 Cb 0.32 -2.44 -0.04 0.00 -0.63 0.00 0.00 39.34 36.55 1oi8 n TYR 460 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1oi8 s PRO 461 N 3.19 4.57 -0.14 2.98 0.04 -1.26 -0.25 135.00 144.13 1oi8 s PRO 461 Ca 0.97 1.27 -0.17 0.00 0.04 0.00 0.00 61.00 63.10 1oi8 s PRO 461 Cb -1.06 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.03 1oi8 s PRO 461 CO 0.64 0.13 0.44 -0.65 0.04 0.00 0.00 177.00 177.61 1oi8 s GLN 462 N 0.39 4.30 0.21 4.56 -1.52 -0.03 -4.87 119.66 122.70 1oi8 s GLN 462 Ca 0.45 0.37 0.08 0.00 -1.95 0.00 0.00 55.36 54.31 1oi8 s GLN 462 Cb -0.21 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.09 1oi8 s GLN 462 CO 0.26 0.13 0.00 -0.06 -0.25 0.00 0.00 175.29 175.37 1oi8 s PHE 463 N 0.73 2.79 -0.03 0.91 0.08 -1.26 -2.02 117.98 119.19 1oi8 s PHE 463 Ca 0.24 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.12 1oi8 s PHE 463 Cb -0.15 -1.31 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 1oi8 s PHE 463 CO 0.09 0.55 -0.03 0.00 -0.10 0.00 0.00 175.22 175.73 1oi8 s ALA 464 N -1.94 0.46 -1.14 5.36 0.00 -0.48 -4.70 121.76 119.31 1oi8 s ALA 464 Ca 0.29 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1oi8 s ALA 464 Cb -0.08 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.74 1oi8 s ALA 464 CO 0.19 -0.01 0.00 0.09 0.00 0.00 0.00 175.76 176.03 1oi8 n ASN 465 N 3.82 -4.22 -4.32 0.00 3.02 -1.26 -2.11 115.26 110.18 1oi8 n ASN 465 Ca -0.23 0.23 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1oi8 n ASN 465 Cb 0.52 -2.82 -0.16 0.00 -0.61 0.00 0.00 39.78 36.71 1oi8 n ASN 465 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oi8 s VAL 466 N -2.44 2.34 0.05 2.41 1.01 -1.26 -1.49 120.40 121.01 1oi8 s VAL 466 Ca 0.00 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1oi8 s VAL 466 Cb 0.00 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1oi8 s VAL 466 CO 0.00 0.57 -0.11 -0.94 0.00 0.00 0.00 175.10 174.62 1oi8 s SER 467 N -0.30 1.28 0.08 3.32 1.04 -0.78 -4.29 113.70 114.04 1oi8 s SER 467 Ca 0.01 -0.51 -0.27 0.00 0.48 0.00 0.00 55.95 55.66 1oi8 s SER 467 Cb -0.13 -0.03 0.09 0.00 0.10 0.00 0.00 66.02 66.05 1oi8 s SER 467 CO 0.02 -0.08 1.11 0.72 0.98 0.00 0.00 173.24 175.99 1oi8 s PHE 468 N -1.10 -0.07 -0.21 5.02 -0.12 -0.32 -1.96 117.98 119.21 1oi8 s PHE 468 Ca -0.04 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.70 1oi8 s PHE 468 Cb -0.09 0.61 0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1oi8 s PHE 468 CO 0.01 -0.60 -0.16 0.08 -0.05 0.00 0.00 175.22 174.51 1oi8 s VAL 469 N -2.80 2.15 -0.17 -2.49 1.01 -0.59 -1.80 120.40 115.72 1oi8 s VAL 469 Ca 0.15 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.73 1oi8 s VAL 469 Cb 0.01 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1oi8 s VAL 469 CO 0.00 0.31 0.54 0.00 0.00 0.00 0.00 175.10 175.95 1oi8 s ALA 470 N 1.22 3.51 -0.08 5.51 0.00 -0.11 -0.56 121.76 131.26 1oi8 s ALA 470 Ca -0.00 -0.29 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1oi8 s ALA 470 Cb -0.16 -2.81 0.04 0.00 0.00 0.00 0.00 23.12 20.20 1oi8 s ALA 470 CO -0.09 -0.32 0.17 -1.59 0.00 0.00 0.00 175.76 173.92 1oi8 s LYS 471 N 1.37 0.09 -1.09 0.00 0.00 -0.41 -4.41 119.74 115.29 1oi8 s LYS 471 Ca 0.26 0.46 -0.03 0.00 0.00 0.00 0.00 55.97 56.67 1oi8 s LYS 471 Cb -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 37.83 37.49 1oi8 s LYS 471 CO 0.10 -0.21 0.39 -3.47 0.00 0.00 0.00 175.35 172.17 1oi8 n ASP 472 N 4.58 -4.70 -0.05 0.03 -0.08 -1.26 -2.38 116.55 112.69 1oi8 n ASP 472 Ca -0.19 -0.19 -0.01 0.00 -1.51 0.00 0.00 54.79 52.89 1oi8 n ASP 472 Cb 0.51 -3.59 -0.00 0.00 2.34 0.00 0.00 41.12 40.38 1oi8 n ASP 472 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1oi8 n GLY 473 N -1.27 0.43 3.19 0.27 0.00 -1.26 -5.03 105.19 101.53 1oi8 n GLY 473 Ca -0.09 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1oi8 n GLY 473 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oi8 s LYS 474 N -0.74 1.15 -0.24 1.61 2.20 -1.00 -4.97 119.74 117.75 1oi8 s LYS 474 Ca 0.00 -0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 54.63 1oi8 s LYS 474 Cb 0.00 -1.21 -0.04 0.00 -1.51 0.00 0.00 37.83 35.07 1oi8 s LYS 474 CO 0.00 0.30 0.32 -0.51 -0.36 0.00 0.00 175.35 175.11 1oi8 s LEU 475 N -1.16 4.10 0.03 5.43 1.43 -1.26 -1.29 118.68 125.96 1oi8 s LEU 475 Ca 0.04 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1oi8 s LEU 475 Cb -0.08 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 1oi8 s LEU 475 CO 0.02 -0.08 0.08 0.20 0.23 0.00 0.00 176.35 176.80 1oi8 s ASN 476 N 1.29 5.64 -1.40 2.29 0.01 0.28 -4.53 114.94 118.52 1oi8 s ASN 476 Ca 0.14 0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.38 1oi8 s ASN 476 Cb -0.15 -1.58 -0.00 0.00 0.41 0.00 0.00 41.25 39.93 1oi8 s ASN 476 CO 0.08 0.23 0.43 0.47 -1.51 0.00 0.00 177.10 176.80 1oi8 n ASP 477 N 0.86 -0.37 -4.63 -1.22 8.00 -1.26 -1.55 116.55 116.37 1oi8 n ASP 477 Ca -0.11 -1.00 -0.43 0.00 0.71 0.00 0.00 54.79 53.97 1oi8 n ASP 477 Cb 0.52 -3.11 -0.03 0.00 -0.02 0.00 0.00 41.12 38.48 1oi8 n ASP 477 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1oi8 s LEU 478 N -6.94 3.96 0.06 0.64 2.96 -1.26 -4.12 118.68 113.98 1oi8 s LEU 478 Ca 0.00 1.79 0.08 0.00 -0.22 0.00 0.00 54.13 55.78 1oi8 s LEU 478 Cb -0.00 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.13 1oi8 s LEU 478 CO 0.88 -1.23 -0.21 -0.54 -1.32 0.00 0.00 176.35 173.93 1oi8 s LYS 479 N 4.66 1.34 -0.16 1.98 1.02 -0.83 -1.79 119.74 125.95 1oi8 s LYS 479 Ca 0.74 -1.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.73 1oi8 s LYS 479 Cb -0.28 -1.49 -0.00 0.00 -0.52 0.00 0.00 37.83 35.54 1oi8 s LYS 479 CO 0.30 0.37 -0.14 0.42 -0.92 0.00 0.00 175.35 175.38 1oi8 s ILE 480 N -0.89 2.78 -1.49 2.17 -1.09 0.03 -1.87 121.20 120.85 1oi8 s ILE 480 Ca 0.07 -0.73 -0.05 0.00 -2.23 0.00 0.00 60.65 57.72 1oi8 s ILE 480 Cb -0.09 -2.19 0.02 0.00 -1.58 0.00 0.00 42.46 38.62 1oi8 s ILE 480 CO 0.02 0.51 0.46 0.29 -1.23 0.00 0.00 174.94 174.99 1oi8 n LYS 481 N 4.10 -3.97 -1.03 2.79 5.02 -0.56 -2.05 118.16 122.46 1oi8 n LYS 481 Ca -0.19 0.80 -0.01 0.00 -2.02 0.00 0.00 58.31 56.89 1oi8 n LYS 481 Cb 0.52 -5.59 -0.00 0.00 -0.02 0.00 0.00 35.03 29.93 1oi8 n LYS 481 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oi8 n GLY 482 N -1.33 0.49 3.24 0.72 0.00 -1.26 -5.03 105.19 102.02 1oi8 n GLY 482 Ca -0.11 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1oi8 n GLY 482 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 483 N -0.95 2.31 0.49 1.61 0.41 -0.87 -5.03 118.70 116.67 1oi8 s GLU 483 Ca 0.00 -0.84 -0.23 0.00 -0.41 0.00 0.00 54.97 53.50 1oi8 s GLU 483 Cb 0.00 -2.00 -0.07 0.00 -1.78 0.00 0.00 34.13 30.28 1oi8 s GLU 483 CO 0.00 0.37 1.21 -2.30 -0.49 0.00 0.00 175.26 174.05 1oi8 n PRO 484 N 2.93 1.59 -2.17 0.39 -0.02 -1.26 -0.79 135.00 135.66 1oi8 n PRO 484 Ca -0.17 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.47 1oi8 n PRO 484 Cb 0.52 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1oi8 n PRO 484 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oi8 s VAL 485 N -1.30 3.13 -0.24 -1.45 1.01 -0.74 -4.77 120.40 116.05 1oi8 s VAL 485 Ca 0.67 0.91 -0.08 0.00 0.00 0.00 0.00 61.98 63.48 1oi8 s VAL 485 Cb -0.47 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1oi8 s VAL 485 CO 0.53 0.13 0.10 -0.62 0.00 0.00 0.00 175.10 175.24 1oi8 s ASP 486 N 0.48 5.52 0.59 3.32 -1.08 -1.26 -5.00 116.67 119.25 1oi8 s ASP 486 Ca 0.59 -0.07 0.30 0.00 -0.52 0.00 0.00 52.55 52.85 1oi8 s ASP 486 Cb -0.37 -1.99 1.85 0.00 -1.46 0.00 0.00 42.92 40.94 1oi8 s ASP 486 CO 0.37 0.02 2.26 1.55 0.52 0.00 0.00 175.17 179.89 1oi8 h PRO 487 N 7.85 0.00 0.00 4.34 0.13 -1.95 -2.14 132.00 140.22 1oi8 h PRO 487 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1oi8 h PRO 487 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oi8 h PRO 487 CO 0.60 0.00 -0.78 0.00 -0.23 0.00 0.00 178.00 177.60 1oi8 h ALA 488 N 2.00 0.55 -2.27 -0.56 0.00 -1.94 -2.36 119.26 114.68 1oi8 h ALA 488 Ca -0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 1oi8 h ALA 488 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1oi8 h ALA 488 CO 0.00 0.00 0.31 0.21 0.00 0.00 0.00 179.25 179.77 1oi8 s LYS 489 N -3.25 4.36 -0.08 0.00 2.20 -0.81 -4.76 119.74 117.39 1oi8 s LYS 489 Ca 0.03 1.15 -0.16 0.00 -0.36 0.00 0.00 55.97 56.63 1oi8 s LYS 489 Cb 0.11 -2.50 -0.05 0.00 -1.51 0.00 0.00 37.83 33.89 1oi8 s LYS 489 CO 0.75 0.14 0.43 0.99 -0.36 0.00 0.00 175.35 177.30 1oi8 s THR 490 N -1.89 5.13 0.04 3.43 2.01 -1.26 -0.59 115.64 122.51 1oi8 s THR 490 Ca 0.55 0.87 0.08 0.00 0.31 0.00 0.00 61.69 63.50 1oi8 s THR 490 Cb -0.13 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1oi8 s THR 490 CO 0.18 0.43 -0.22 -0.31 -0.69 0.00 0.00 174.62 174.01 1oi8 s TYR 491 N -0.02 1.94 -0.23 4.92 1.51 0.64 -4.94 117.35 121.17 1oi8 s TYR 491 Ca 0.24 -0.38 -0.08 0.00 -1.01 0.00 0.00 57.07 55.83 1oi8 s TYR 491 Cb -0.15 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.50 1oi8 s TYR 491 CO 0.11 0.10 0.09 0.50 -1.11 0.00 0.00 175.55 175.24 1oi8 s ARG 492 N -1.19 3.84 -0.16 -0.62 3.52 -1.26 -0.94 118.95 122.13 1oi8 s ARG 492 Ca 0.09 -0.39 -0.05 0.00 -0.13 0.00 0.00 55.73 55.24 1oi8 s ARG 492 Cb -0.09 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1oi8 s ARG 492 CO 0.02 -0.01 0.00 1.41 -0.81 0.00 0.00 175.30 175.91 1oi8 s MET 493 N 1.18 3.74 0.10 5.12 -2.45 -0.28 -0.07 119.30 126.65 1oi8 s MET 493 Ca 0.05 -0.44 -0.06 0.00 -1.25 0.00 0.00 55.69 53.98 1oi8 s MET 493 Cb -0.14 -3.02 -0.05 0.00 1.25 0.00 0.00 34.83 32.86 1oi8 s MET 493 CO 0.04 0.29 0.36 0.00 1.05 0.00 0.00 175.02 176.77 1oi8 s ALA 494 N 0.26 3.78 0.00 4.11 0.00 -0.53 -1.22 121.76 128.17 1oi8 s ALA 494 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1oi8 s ALA 494 Cb -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1oi8 s ALA 494 CO 0.02 0.64 0.00 -2.37 0.00 0.00 0.00 175.76 174.05 1oi8 n THR 495 N 0.50 0.00 -3.60 0.00 5.66 -0.59 -2.29 114.28 113.97 1oi8 n THR 495 Ca -0.05 0.00 -0.27 0.00 -3.05 0.00 0.00 64.05 60.67 1oi8 n THR 495 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 1oi8 n THR 495 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1oi8 s LEU 496 N 0.00 4.17 0.25 1.09 2.01 -1.26 -0.84 118.68 124.10 1oi8 s LEU 496 Ca 0.00 0.47 -0.03 0.00 0.01 0.00 0.00 54.13 54.58 1oi8 s LEU 496 Cb 0.00 -3.25 0.47 0.00 0.01 0.00 0.00 46.19 43.42 1oi8 s LEU 496 CO 0.00 -0.10 1.76 -0.55 1.01 0.00 0.00 176.35 178.47 1oi8 h ASN 497 N 1.82 0.45 -0.13 2.29 -1.07 -1.21 0.59 115.58 118.32 1oi8 h ASN 497 Ca -0.48 0.09 0.04 0.00 0.07 0.00 0.00 56.30 56.02 1oi8 h ASN 497 Cb 1.19 0.02 -0.07 0.00 -2.07 0.00 0.00 38.32 37.40 1oi8 h ASN 497 CO 0.67 0.20 -0.46 0.15 0.07 0.00 0.00 177.43 178.05 1oi8 h PHE 498 N 0.57 -1.35 -0.32 4.14 3.57 -1.93 -1.53 116.94 120.09 1oi8 h PHE 498 Ca 0.43 0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.85 1oi8 h PHE 498 Cb 0.59 0.61 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 1oi8 h PHE 498 CO -0.11 -0.51 -0.32 -0.91 -2.23 0.00 0.00 178.31 174.23 1oi8 h ASN 499 N -0.53 0.72 -0.00 0.41 4.21 -1.62 0.04 115.58 118.80 1oi8 h ASN 499 Ca 0.06 -0.29 -0.05 0.00 1.21 0.00 0.00 56.30 57.23 1oi8 h ASN 499 Cb 0.65 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1oi8 h ASN 499 CO -0.41 0.98 -0.13 0.00 -1.29 0.00 0.00 177.43 176.59 1oi8 h ALA 500 N 1.06 1.47 -0.48 -0.83 0.00 -0.53 -2.01 119.26 117.94 1oi8 h ALA 500 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1oi8 h ALA 500 Cb 0.83 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1oi8 h ALA 500 CO 0.07 0.37 0.00 0.25 0.00 0.00 0.00 179.25 179.94 1oi8 n THR 501 N -4.26 1.42 0.00 0.00 -2.24 -0.61 -0.07 114.28 108.52 1oi8 n THR 501 Ca -0.00 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.89 1oi8 n THR 501 Cb 0.27 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1oi8 n THR 501 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oi8 n GLY 502 N 0.89 1.11 3.77 3.38 0.00 -0.76 -4.92 105.19 108.65 1oi8 n GLY 502 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1oi8 n GLY 502 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1oi8 s GLY 503 N -2.00 2.91 -1.91 -0.02 0.00 -0.00 -1.92 107.32 104.37 1oi8 s GLY 503 Ca 0.00 1.21 0.00 0.00 0.00 0.00 0.00 44.72 45.93 1oi8 s GLY 503 CO 0.00 1.78 0.00 1.22 0.00 0.00 0.00 173.10 176.10 1oi8 n ASP 504 N -0.03 -5.02 -0.48 1.64 8.00 -1.26 -2.01 116.55 117.39 1oi8 n ASP 504 Ca 0.05 0.38 -0.06 0.00 0.71 0.00 0.00 54.79 55.86 1oi8 n ASP 504 Cb 0.44 -4.42 -0.03 0.00 -0.02 0.00 0.00 41.12 37.09 1oi8 n ASP 504 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oi8 n GLY 505 N -0.47 0.80 3.74 0.44 0.00 -0.81 -4.90 105.19 103.99 1oi8 n GLY 505 Ca -0.19 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 1oi8 n GLY 505 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oi8 s TYR 506 N -1.99 2.26 0.28 1.61 1.51 -0.85 -4.94 117.35 115.24 1oi8 s TYR 506 Ca 0.00 1.47 -0.30 0.00 -1.01 0.00 0.00 57.07 57.23 1oi8 s TYR 506 Cb 0.00 -3.64 -0.11 0.00 -0.11 0.00 0.00 41.96 38.10 1oi8 s TYR 506 CO 0.00 -2.64 1.59 -2.14 -1.11 0.00 0.00 175.55 171.25 1oi8 s PRO 507 N -3.21 4.14 0.24 -1.71 0.02 -1.26 -4.07 135.00 129.15 1oi8 s PRO 507 Ca 0.77 2.55 -0.30 0.00 0.02 0.00 0.00 61.00 64.04 1oi8 s PRO 507 Cb -0.36 -3.04 -0.11 0.00 0.02 0.00 0.00 34.50 31.02 1oi8 s PRO 507 CO 0.39 -0.62 1.54 1.03 -0.33 0.00 0.00 177.00 179.02 1oi8 s ARG 508 N -0.38 4.19 -0.00 5.54 0.52 -1.26 -4.65 118.95 122.91 1oi8 s ARG 508 Ca 0.64 2.44 0.05 0.00 -0.52 0.00 0.00 55.73 58.34 1oi8 s ARG 508 Cb -0.47 -3.08 -0.07 0.00 0.52 0.00 0.00 34.95 31.85 1oi8 s ARG 508 CO 0.46 -0.56 0.20 1.28 0.02 0.00 0.00 175.30 176.71 1oi8 n LEU 509 N 2.73 0.19 0.09 2.53 4.77 0.89 -4.77 117.00 123.44 1oi8 n LEU 509 Ca 0.09 -0.37 0.11 0.00 -0.03 0.00 0.00 56.01 55.81 1oi8 n LEU 509 Cb 0.38 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.92 1oi8 n LEU 509 CO 0.62 0.05 0.84 -0.90 -1.33 0.00 0.00 177.39 176.67 1oi8 n ASP 510 N -1.27 0.52 -0.07 -1.43 5.75 -1.19 -1.40 116.55 117.46 1oi8 n ASP 510 Ca 0.01 0.61 0.12 0.00 -0.01 0.00 0.00 54.79 55.52 1oi8 n ASP 510 Cb 0.10 -0.73 0.25 0.00 -1.03 0.00 0.00 41.12 39.71 1oi8 n ASP 510 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1oi8 n ASN 511 N -2.06 0.69 -4.77 -1.12 5.03 -1.26 -4.95 115.26 106.82 1oi8 n ASN 511 Ca 0.03 -0.48 -0.38 0.00 0.87 0.00 0.00 54.58 54.62 1oi8 n ASN 511 Cb 0.25 0.28 -0.02 0.00 -1.02 0.00 0.00 39.78 39.27 1oi8 n ASN 511 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1oi8 s LYS 512 N -2.87 3.96 0.48 3.52 1.02 -0.49 -4.91 119.74 120.44 1oi8 s LYS 512 Ca 0.14 1.82 0.26 0.00 0.02 0.00 0.00 55.97 58.22 1oi8 s LYS 512 Cb 0.18 -2.59 1.18 0.00 -0.52 0.00 0.00 37.83 36.08 1oi8 s LYS 512 CO 0.66 -0.40 1.94 -1.00 -0.92 0.00 0.00 175.35 175.64 1oi8 h PRO 513 N 2.44 0.00 -0.11 -1.68 0.13 -1.91 -2.66 132.00 128.22 1oi8 h PRO 513 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1oi8 h PRO 513 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1oi8 h PRO 513 CO 0.62 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 178.97 1oi8 n GLY 514 N -0.22 -0.30 3.75 1.56 0.00 -1.26 -4.92 105.19 103.80 1oi8 n GLY 514 Ca -0.01 -0.25 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 1oi8 n GLY 514 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oi8 s TYR 515 N -1.86 3.90 -0.03 1.61 5.04 -1.01 -1.36 117.35 123.65 1oi8 s TYR 515 Ca 0.25 1.80 0.01 0.00 -2.44 0.00 0.00 57.07 56.69 1oi8 s TYR 515 Cb 0.13 -2.96 0.03 0.00 0.35 0.00 0.00 41.96 39.51 1oi8 s TYR 515 CO 0.19 0.38 -0.01 0.08 -1.34 0.00 0.00 175.55 174.86 1oi8 s VAL 516 N -0.74 0.22 -0.42 3.14 1.01 0.15 -4.98 120.40 118.78 1oi8 s VAL 516 Ca 0.42 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1oi8 s VAL 516 Cb -0.24 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1oi8 s VAL 516 CO 0.30 0.15 0.34 0.21 0.00 0.00 0.00 175.10 176.10 1oi8 s ASN 517 N 0.96 6.13 0.38 3.32 3.84 -1.26 -1.32 114.94 126.99 1oi8 s ASN 517 Ca -0.10 -0.88 0.27 0.00 0.21 0.00 0.00 52.86 52.36 1oi8 s ASN 517 Cb -0.13 -2.18 0.94 0.00 -0.55 0.00 0.00 41.25 39.33 1oi8 s ASN 517 CO -0.01 -0.50 1.79 0.71 -2.79 0.00 0.00 177.10 176.30 1oi8 h THR 518 N 5.66 0.00 0.00 -5.21 1.35 -1.82 -3.43 112.91 109.47 1oi8 h THR 518 Ca -0.27 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 1oi8 h THR 518 Cb 1.12 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1oi8 h THR 518 CO 0.76 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 1oi8 n GLY 519 N 0.49 1.04 3.73 5.82 0.00 -1.25 -4.96 105.19 110.07 1oi8 n GLY 519 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1oi8 n GLY 519 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oi8 s PHE 520 N -2.56 3.48 0.06 1.61 0.08 -1.26 -4.83 117.98 114.56 1oi8 s PHE 520 Ca 0.00 1.46 -0.25 0.00 0.12 0.00 0.00 56.93 58.27 1oi8 s PHE 520 Cb 0.00 -3.38 -0.06 0.00 -0.57 0.00 0.00 43.02 39.01 1oi8 s PHE 520 CO 0.00 -1.03 0.75 0.42 -0.10 0.00 0.00 175.22 175.26 1oi8 s ILE 521 N 0.01 4.69 0.25 0.64 1.01 -1.26 -0.26 121.20 126.29 1oi8 s ILE 521 Ca 0.52 1.60 -0.06 0.00 0.00 0.00 0.00 60.65 62.71 1oi8 s ILE 521 Cb -0.31 -4.10 0.31 0.00 0.01 0.00 0.00 42.46 38.37 1oi8 s ILE 521 CO 0.35 0.40 1.62 -2.24 0.00 0.00 0.00 174.94 175.07 1oi8 h ASP 522 N 5.44 -0.43 -0.07 3.58 3.04 -1.19 -1.74 116.42 125.05 1oi8 h ASP 522 Ca -0.45 0.22 -0.22 0.00 -3.24 0.00 0.00 57.03 53.34 1oi8 h ASP 522 Cb 1.21 0.39 0.01 0.00 -1.04 0.00 0.00 39.33 39.89 1oi8 h ASP 522 CO 0.70 -0.22 -0.78 0.00 -2.04 0.00 0.00 179.24 176.90 1oi8 h ALA 523 N 1.76 0.35 -0.46 4.15 0.00 -1.84 -1.49 119.26 121.73 1oi8 h ALA 523 Ca 0.44 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1oi8 h ALA 523 Cb 0.78 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1oi8 h ALA 523 CO -0.73 0.70 0.17 1.49 0.00 0.00 0.00 179.25 180.88 1oi8 h GLU 524 N 0.49 0.34 -0.41 0.00 4.22 -1.81 0.11 114.58 117.52 1oi8 h GLU 524 Ca -0.05 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.34 1oi8 h GLU 524 Cb 1.41 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1oi8 h GLU 524 CO 0.16 0.22 0.14 0.28 -2.18 0.00 0.00 179.01 177.63 1oi8 h VAL 525 N 0.35 1.21 -0.23 0.32 2.07 -1.20 -0.01 116.25 118.76 1oi8 h VAL 525 Ca 0.22 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1oi8 h VAL 525 Cb 0.21 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1oi8 h VAL 525 CO -0.21 0.24 0.10 0.25 0.02 0.00 0.00 177.57 177.97 1oi8 h LEU 526 N 0.52 0.31 -0.13 2.57 5.85 -1.08 -1.38 115.31 121.97 1oi8 h LEU 526 Ca 0.13 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1oi8 h LEU 526 Cb 0.24 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1oi8 h LEU 526 CO -0.01 0.37 -0.09 0.50 -0.34 0.00 0.00 178.44 178.87 1oi8 h LYS 527 N 0.23 -0.09 -0.41 1.25 3.11 -0.54 -1.79 116.57 118.33 1oi8 h LYS 527 Ca 0.08 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.85 1oi8 h LYS 527 Cb 0.15 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.38 1oi8 h LYS 527 CO -0.01 -0.06 -0.06 0.00 -2.81 0.00 0.00 179.45 176.51 1oi8 h ALA 528 N 1.01 1.13 -0.50 5.00 0.00 -0.92 -1.12 119.26 123.86 1oi8 h ALA 528 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1oi8 h ALA 528 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1oi8 h ALA 528 CO -0.18 0.55 0.26 -0.92 0.00 0.00 0.00 179.25 178.96 1oi8 h TYR 529 N 0.64 0.70 -0.53 0.00 3.20 -1.05 -2.04 116.97 117.90 1oi8 h TYR 529 Ca 0.12 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1oi8 h TYR 529 Cb 0.49 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1oi8 h TYR 529 CO 0.02 0.54 0.27 0.82 -1.64 0.00 0.00 178.16 178.18 1oi8 h ILE 530 N 0.66 1.19 -0.83 1.81 2.04 -0.92 -1.22 117.51 120.24 1oi8 h ILE 530 Ca 0.17 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1oi8 h ILE 530 Cb 0.09 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.66 1oi8 h ILE 530 CO -0.02 0.20 0.51 1.56 0.00 0.00 0.00 178.15 180.40 1oi8 h GLN 531 N 0.70 0.90 -0.00 2.37 4.20 -0.97 0.30 115.11 122.61 1oi8 h GLN 531 Ca 0.18 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1oi8 h GLN 531 Cb 0.08 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.65 1oi8 h GLN 531 CO -0.03 0.60 -0.46 0.36 -0.67 0.00 0.00 178.83 178.63 1oi8 n LYS 532 N -4.64 0.45 0.00 1.46 2.85 -0.79 -3.81 118.16 113.68 1oi8 n LYS 532 Ca 0.12 -0.29 0.05 0.00 -1.05 0.00 0.00 58.31 57.13 1oi8 n LYS 532 Cb 0.18 -1.49 -0.04 0.00 -0.65 0.00 0.00 35.03 33.02 1oi8 n LYS 532 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1oi8 n SER 533 N -1.02 0.62 -4.77 -5.58 7.64 -0.48 -5.04 113.62 104.99 1oi8 n SER 533 Ca 0.08 -0.81 -0.38 0.00 1.01 0.00 0.00 58.87 58.77 1oi8 n SER 533 Cb 0.35 0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 64.42 1oi8 n SER 533 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1oi8 s SER 534 N -1.79 6.40 0.25 6.43 0.15 0.05 -3.98 113.70 121.21 1oi8 s SER 534 Ca 0.05 2.34 -0.30 0.00 0.70 0.00 0.00 55.95 58.74 1oi8 s SER 534 Cb 0.07 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.68 1oi8 s SER 534 CO 0.36 -0.76 1.07 -2.16 1.20 0.00 0.00 173.24 172.95 1oi8 s PRO 535 N -2.44 4.68 0.07 5.44 0.04 -1.26 -4.98 135.00 136.55 1oi8 s PRO 535 Ca 0.59 1.72 -0.30 0.00 0.04 0.00 0.00 61.00 63.06 1oi8 s PRO 535 Cb -0.30 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1oi8 s PRO 535 CO 0.37 0.25 0.95 -0.51 0.04 0.00 0.00 177.00 178.11 1oi8 s LEU 536 N -1.20 4.46 -0.42 -3.56 1.43 0.28 -4.98 118.68 114.69 1oi8 s LEU 536 Ca 0.45 1.73 -0.11 0.00 -1.03 0.00 0.00 54.13 55.17 1oi8 s LEU 536 Cb -0.30 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.42 1oi8 s LEU 536 CO 0.38 -0.12 0.27 -0.62 0.23 0.00 0.00 176.35 176.49 1oi8 s ASP 537 N 0.30 5.75 0.26 2.29 2.15 -1.26 -1.68 116.67 124.48 1oi8 s ASP 537 Ca 0.48 -1.36 0.19 0.00 0.43 0.00 0.00 52.55 52.28 1oi8 s ASP 537 Cb -0.22 -2.03 0.98 0.00 -0.30 0.00 0.00 42.92 41.34 1oi8 s ASP 537 CO 0.29 -0.52 1.57 1.33 -0.17 0.00 0.00 175.17 177.67 1oi8 n VAL 538 N 4.99 1.15 0.10 1.11 0.24 -1.26 -1.67 118.33 122.98 1oi8 n VAL 538 Ca -0.11 0.64 0.03 0.00 -2.04 0.00 0.00 64.34 62.86 1oi8 n VAL 538 Cb 0.44 -1.63 0.40 0.00 -1.47 0.00 0.00 33.84 31.58 1oi8 n VAL 538 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 1oi8 h SER 539 N 0.00 0.27 0.28 -1.34 0.87 -1.97 -1.11 113.55 110.56 1oi8 h SER 539 Ca 0.00 -0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1oi8 h SER 539 Cb 0.05 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1oi8 h SER 539 CO 0.00 0.37 -0.29 0.58 -0.53 0.00 0.00 176.83 176.95 1oi8 h VAL 540 N 0.29 1.22 -0.65 2.23 2.07 -1.76 -2.97 116.25 116.67 1oi8 h VAL 540 Ca 0.06 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1oi8 h VAL 540 Cb 0.28 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1oi8 h VAL 540 CO 0.01 0.29 0.00 -1.22 0.02 0.00 0.00 177.57 176.68 1oi8 n TYR 541 N -4.18 1.26 -3.09 1.57 4.01 -0.46 -4.97 117.16 111.29 1oi8 n TYR 541 Ca -0.02 -0.58 -0.41 0.00 -0.16 0.00 0.00 57.90 56.74 1oi8 n TYR 541 Cb 0.34 -0.16 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 1oi8 n TYR 541 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1oi8 s GLU 542 N -1.55 4.13 0.34 -0.72 2.56 -0.93 -4.15 118.70 118.39 1oi8 s GLU 542 Ca 0.49 0.60 -0.29 0.00 0.00 0.00 0.00 54.97 55.77 1oi8 s GLU 542 Cb 0.30 -3.64 -0.11 0.00 2.00 0.00 0.00 34.13 32.68 1oi8 s GLU 542 CO 0.27 -0.40 1.47 -2.14 -0.56 0.00 0.00 175.26 173.90 1oi8 s PRO 543 N 2.44 4.16 -0.36 4.30 0.02 -1.26 -4.96 135.00 139.34 1oi8 s PRO 543 Ca 0.27 2.50 0.13 0.00 0.02 0.00 0.00 61.00 63.92 1oi8 s PRO 543 Cb -0.16 -3.00 0.45 0.00 0.02 0.00 0.00 34.50 31.81 1oi8 s PRO 543 CO 0.09 -0.49 1.04 1.63 -0.33 0.00 0.00 177.00 178.94 1oi8 n LYS 544 N 0.96 2.22 -2.16 5.54 4.76 -1.26 -4.96 118.16 123.26 1oi8 n LYS 544 Ca 0.02 -3.81 -0.17 0.00 -2.87 0.00 0.00 58.31 51.48 1oi8 n LYS 544 Cb 0.39 -1.72 -0.02 0.00 -1.84 0.00 0.00 35.03 31.84 1oi8 n LYS 544 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oi8 n GLY 545 N -0.31 0.07 0.34 0.72 0.00 -1.26 -4.91 105.19 99.85 1oi8 n GLY 545 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1oi8 n GLY 545 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1oi8 h GLU 546 N 0.00 1.04 -5.96 1.61 3.07 -1.92 -3.39 114.58 109.03 1oi8 h GLU 546 Ca -0.40 -0.13 -0.68 0.00 -0.50 0.00 0.00 59.36 57.65 1oi8 h GLU 546 Cb 1.27 -0.20 -0.19 0.00 -0.84 0.00 0.00 28.75 28.79 1oi8 h GLU 546 CO 0.49 0.79 -0.68 0.14 -1.40 0.00 0.00 179.01 178.35 1oi8 s VAL 547 N -5.62 3.78 0.04 3.13 -7.23 -1.26 -1.17 120.40 112.07 1oi8 s VAL 547 Ca -0.11 -0.44 -0.09 0.00 -1.81 0.00 0.00 61.98 59.53 1oi8 s VAL 547 Cb 0.17 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1oi8 s VAL 547 CO 0.81 0.58 0.18 -0.94 -0.31 0.00 0.00 175.10 175.41 1oi8 s SER 548 N -0.58 0.06 -0.09 4.85 1.04 -0.74 -4.94 113.70 113.29 1oi8 s SER 548 Ca 0.09 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1oi8 s SER 548 Cb -0.12 0.28 -0.06 0.00 0.10 0.00 0.00 66.02 66.23 1oi8 s SER 548 CO 0.02 -0.55 -0.08 0.79 0.98 0.00 0.00 173.24 174.40 1oi8 n TRP 549 N 0.68 0.00 -4.09 5.02 8.01 -1.26 -0.93 117.44 124.87 1oi8 n TRP 549 Ca -0.19 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.89 1oi8 n TRP 549 Cb 0.59 -0.33 -0.06 0.00 -2.01 0.00 0.00 31.31 29.49 1oi8 n TRP 549 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1oi8 s GLN 550 N -2.17 1.56 0.00 -0.99 1.11 -1.26 -4.50 119.66 113.40 1oi8 s GLN 550 Ca -0.12 -1.52 0.00 0.00 0.01 0.00 0.00 55.36 53.73 1oi8 s GLN 550 Cb 0.03 0.40 0.00 0.00 -1.01 0.00 0.00 33.01 32.43 1oi8 s GLN 550 CO 0.20 -0.61 0.00 -1.91 0.01 0.00 0.00 175.29 172.97