#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8b n ALA 2 N 0.00 2.28 -1.88 3.04 0.00 -1.26 -4.80 120.51 117.90 1y8b n ALA 2 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 1y8b n ALA 2 Cb 0.00 -1.15 -0.03 0.00 0.00 0.00 0.00 19.45 18.27 1y8b n ALA 2 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1y8b s GLN 3 N -2.00 4.19 -0.05 0.00 -0.21 -1.26 -4.97 119.66 115.37 1y8b s GLN 3 Ca 0.14 2.40 -0.30 0.00 0.02 0.00 0.00 55.36 57.62 1y8b s GLN 3 Cb 0.06 -3.52 0.08 0.00 1.00 0.00 0.00 33.01 30.63 1y8b s GLN 3 CO 0.11 -0.74 0.74 -0.08 -2.12 0.00 0.00 175.29 173.20 1y8b s THR 4 N 2.41 0.00 0.16 -0.19 -1.32 -1.26 -5.03 115.64 110.41 1y8b s THR 4 Ca 0.75 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 61.24 1y8b s THR 4 Cb -0.42 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.53 1y8b s THR 4 CO 0.33 0.00 0.31 -0.63 -2.21 0.00 0.00 174.62 172.42 1y8b s ILE 5 N -1.54 5.29 -0.29 5.08 -1.09 -0.97 -5.00 121.20 122.68 1y8b s ILE 5 Ca -0.07 -0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 57.70 1y8b s ILE 5 Cb -0.00 -3.73 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 1y8b s ILE 5 CO 0.05 -0.09 0.16 0.42 -1.23 0.00 0.00 174.94 174.25 1y8b s THR 6 N -1.76 4.93 -0.10 2.92 -4.23 -1.26 -3.68 115.64 112.46 1y8b s THR 6 Ca 0.36 -0.08 -0.29 0.00 -1.18 0.00 0.00 61.69 60.50 1y8b s THR 6 Cb -0.11 -3.40 0.07 0.00 1.34 0.00 0.00 72.50 70.40 1y8b s THR 6 CO 0.29 0.20 0.67 -1.10 -0.54 0.00 0.00 174.62 174.13 1y8b s GLN 7 N 1.69 0.99 2.36 3.99 -0.21 -1.25 -5.04 119.66 122.19 1y8b s GLN 7 Ca 0.06 0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.84 1y8b s GLN 7 Cb -0.16 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.32 1y8b s GLN 7 CO 0.08 -0.27 0.00 -1.13 -2.12 0.00 0.00 175.29 171.85 1y8b n SER 8 N 1.33 0.00 -0.45 5.90 3.41 -1.26 -2.71 113.62 119.84 1y8b n SER 8 Ca -0.18 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.47 1y8b n SER 8 Cb 0.57 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.61 1y8b n SER 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1y8b n ARG 9 N 14.00 2.10 -4.59 4.33 3.00 -1.26 -5.01 116.66 129.23 1y8b n ARG 9 Ca 0.00 -1.66 -0.27 0.00 -0.01 0.00 0.00 57.85 55.91 1y8b n ARG 9 Cb 0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 32.46 31.16 1y8b n ARG 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1y8b s LEU 10 N -0.92 2.65 -0.20 0.55 2.96 -1.10 -4.46 118.68 118.16 1y8b s LEU 10 Ca 0.16 -1.40 -0.06 0.00 -0.22 0.00 0.00 54.13 52.61 1y8b s LEU 10 Cb 0.09 -0.75 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 1y8b s LEU 10 CO 0.12 -0.53 0.02 -0.13 -1.32 0.00 0.00 176.35 174.51 1y8b s ARG 11 N -3.76 3.70 0.23 1.98 0.52 -0.80 -3.81 118.95 117.00 1y8b s ARG 11 Ca 0.33 -0.48 0.07 0.00 -0.52 0.00 0.00 55.73 55.12 1y8b s ARG 11 Cb 0.09 -3.13 -0.05 0.00 0.52 0.00 0.00 34.95 32.38 1y8b s ARG 11 CO 0.16 0.05 -0.10 0.42 0.02 0.00 0.00 175.30 175.85 1y8b s ILE 12 N 0.93 1.60 0.24 1.52 1.09 -1.24 -1.69 121.20 123.64 1y8b s ILE 12 Ca 0.02 -2.15 -0.22 0.00 -1.10 0.00 0.00 60.65 57.20 1y8b s ILE 12 Cb -0.14 -2.21 -0.09 0.00 -1.06 0.00 0.00 42.46 38.96 1y8b s ILE 12 CO 0.02 -0.47 0.78 -1.81 -0.10 0.00 0.00 174.94 173.37 1y8b s ASP 13 N -3.35 7.17 0.34 3.58 1.01 -1.26 -2.30 116.67 121.85 1y8b s ASP 13 Ca 0.25 1.55 0.14 0.00 0.71 0.00 0.00 52.55 55.20 1y8b s ASP 13 Cb 0.02 -2.47 0.61 0.00 1.01 0.00 0.00 42.92 42.09 1y8b s ASP 13 CO 0.08 0.03 1.74 0.00 0.21 0.00 0.00 175.17 177.24 1y8b h ALA 14 N 3.48 1.15 0.00 5.23 0.00 -1.96 -2.06 119.26 125.11 1y8b h ALA 14 Ca -0.47 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 53.96 1y8b h ALA 14 Cb 1.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1y8b h ALA 14 CO 0.65 0.57 -0.54 -0.91 0.00 0.00 0.00 179.25 179.02 1y8b h ASN 15 N 0.00 0.00 0.05 0.00 4.21 -2.00 -3.13 115.58 114.71 1y8b h ASN 15 Ca -0.00 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 57.34 1y8b h ASN 15 Cb 0.86 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 1y8b h ASN 15 CO 0.06 0.25 -0.83 0.15 -1.29 0.00 0.00 177.43 175.76 1y8b h PHE 16 N 0.00 0.21 -0.33 1.19 3.57 -1.90 -3.30 116.94 116.38 1y8b h PHE 16 Ca -0.02 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.28 1y8b h PHE 16 Cb 1.21 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 1y8b h PHE 16 CO 0.00 1.32 0.02 1.57 -2.23 0.00 0.00 178.31 178.99 1y8b h LYS 17 N -0.71 0.50 0.65 1.11 2.10 -1.52 -2.10 116.57 116.60 1y8b h LYS 17 Ca -0.19 -0.10 -0.03 0.00 -2.00 0.00 0.00 60.65 58.33 1y8b h LYS 17 Cb 1.39 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1y8b h LYS 17 CO -0.01 0.51 -0.37 -0.09 -2.00 0.00 0.00 179.45 177.49 1y8b h ARG 18 N 0.48 -0.91 -0.10 0.07 2.43 -1.67 1.63 114.38 116.31 1y8b h ARG 18 Ca 0.11 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1y8b h ARG 18 Cb 0.29 0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1y8b h ARG 18 CO 0.01 -0.61 0.09 0.74 -1.51 0.00 0.00 179.97 178.69 1y8b h PHE 19 N -0.95 0.00 0.00 2.20 -1.00 -1.62 0.59 116.94 116.16 1y8b h PHE 19 Ca -0.09 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.65 1y8b h PHE 19 Cb 0.74 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 1y8b h PHE 19 CO -0.01 0.00 -0.36 0.28 -1.61 0.00 0.00 178.31 176.61 1y8b h VAL 20 N 0.00 0.60 0.00 -0.55 2.07 -0.86 -3.15 116.25 114.36 1y8b h VAL 20 Ca 0.05 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1y8b h VAL 20 Cb 0.23 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1y8b h VAL 20 CO -0.00 0.20 -0.02 -2.24 0.02 0.00 0.00 177.57 175.53 1y8b h ASP 21 N -1.00 0.00 0.00 0.57 2.03 0.25 0.65 116.42 118.93 1y8b h ASP 21 Ca -0.07 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.21 1y8b h ASP 21 Cb 0.61 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.10 1y8b h ASP 21 CO -0.04 0.02 -0.19 -0.08 -1.03 0.00 0.00 179.24 177.93 1y8b h GLU 22 N 0.00 0.00 0.00 4.15 4.81 0.09 -3.37 114.58 120.26 1y8b h GLU 22 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 1y8b h GLU 22 Cb 0.57 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1y8b h GLU 22 CO 0.00 0.56 -1.68 -1.91 -0.73 0.00 0.00 179.01 175.26 1y8b n GLU 23 N -4.65 1.54 -0.01 1.92 4.07 -1.19 -4.60 120.64 117.72 1y8b n GLU 23 Ca -0.09 0.03 -0.01 0.00 -0.06 0.00 0.00 57.16 57.03 1y8b n GLU 23 Cb 0.32 -1.25 -0.00 0.00 -0.06 0.00 0.00 31.44 30.45 1y8b n GLU 23 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1y8b h VAL 24 N 0.00 0.00 -0.53 6.31 2.07 -1.32 -2.08 116.25 120.71 1y8b h VAL 24 Ca -0.27 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 66.80 1y8b h VAL 24 Cb 1.52 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1y8b h VAL 24 CO -0.01 0.00 0.16 0.25 0.02 0.00 0.00 177.57 177.99 1y8b h LEU 25 N -0.58 0.12 -0.04 2.57 7.12 0.04 0.10 115.31 124.64 1y8b h LEU 25 Ca -0.00 0.08 -0.04 0.00 0.13 0.00 0.00 57.88 58.04 1y8b h LEU 25 Cb 0.03 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 1y8b h LEU 25 CO 0.01 0.09 -0.15 1.55 -0.13 0.00 0.00 178.44 179.80 1y8b h PRO 26 N 0.32 0.17 0.00 5.25 0.13 -1.74 -3.04 132.00 133.08 1y8b h PRO 26 Ca 0.26 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1y8b h PRO 26 Cb 0.32 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1y8b h PRO 26 CO -0.29 0.78 0.00 0.41 -0.23 0.00 0.00 178.00 178.66 1y8b n GLY 27 N 0.68 -0.55 0.06 1.56 0.00 -0.78 -2.24 105.19 103.92 1y8b n GLY 27 Ca -0.09 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1y8b n GLY 27 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1y8b n THR 28 N -0.97 1.13 0.00 2.61 5.66 0.01 -4.98 114.28 117.73 1y8b n THR 28 Ca 0.13 -1.17 0.00 0.00 -3.05 0.00 0.00 64.05 59.96 1y8b n THR 28 Cb 0.06 0.40 0.00 0.00 -1.55 0.00 0.00 70.33 69.24 1y8b n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y8b n GLY 29 N -0.55 1.23 3.16 1.09 0.00 -0.95 -4.94 105.19 104.23 1y8b n GLY 29 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1y8b n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y8b n LEU 30 N 0.00 -3.09 -4.51 0.99 4.77 -1.17 -4.95 117.00 109.04 1y8b n LEU 30 Ca 0.00 0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.78 1y8b n LEU 30 Cb 0.00 -0.85 -0.12 0.00 -2.33 0.00 0.00 43.42 40.12 1y8b n LEU 30 CO 0.00 -3.99 -0.45 -1.81 -1.33 0.00 0.00 177.39 169.81 1y8b s ASP 31 N -1.43 4.11 -0.08 -1.43 1.01 -1.26 -4.59 116.67 112.98 1y8b s ASP 31 Ca 0.47 -0.31 -0.27 0.00 0.71 0.00 0.00 52.55 53.14 1y8b s ASP 31 Cb -0.11 -0.79 -0.24 0.00 1.01 0.00 0.00 42.92 42.79 1y8b s ASP 31 CO 0.72 0.27 0.97 0.00 0.21 0.00 0.00 175.17 177.34 1y8b h ALA 32 N 4.56 0.01 -0.90 5.23 0.00 -1.93 -1.64 119.26 124.60 1y8b h ALA 32 Ca -0.48 -0.42 0.24 0.00 0.00 0.00 0.00 54.91 54.25 1y8b h ALA 32 Cb 1.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1y8b h ALA 32 CO 0.50 -0.05 0.62 0.00 0.00 0.00 0.00 179.25 180.33 1y8b h ALA 33 N 0.21 2.60 0.00 0.00 0.00 -2.00 0.35 119.26 120.42 1y8b h ALA 33 Ca -0.01 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1y8b h ALA 33 Cb 0.87 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1y8b h ALA 33 CO 0.01 -0.87 -1.30 0.00 0.00 0.00 0.00 179.25 177.09 1y8b h ALA 34 N 1.58 0.59 0.84 0.00 0.00 -1.98 -3.16 119.26 117.13 1y8b h ALA 34 Ca 0.45 -1.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 1y8b h ALA 34 Cb 1.51 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.47 1y8b h ALA 34 CO -0.08 1.31 -0.41 0.35 0.00 0.00 0.00 179.25 180.43 1y8b h PHE 35 N 0.00 -1.05 0.00 0.00 3.57 0.69 0.47 116.94 120.61 1y8b h PHE 35 Ca -0.14 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 1y8b h PHE 35 Cb 1.82 0.35 -0.00 0.00 2.79 0.00 0.00 35.95 40.91 1y8b h PHE 35 CO 0.00 -0.65 -0.01 -1.49 -2.23 0.00 0.00 178.31 173.93 1y8b h TRP 36 N -1.29 0.00 0.00 0.41 6.55 -1.52 1.08 115.95 121.19 1y8b h TRP 36 Ca -0.12 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.70 1y8b h TRP 36 Cb 0.87 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.17 1y8b h TRP 36 CO -0.00 0.01 -0.16 -0.09 -1.05 0.00 0.00 178.44 177.15 1y8b h ARG 37 N 0.00 0.00 0.00 0.49 2.43 -1.41 -3.01 114.38 112.88 1y8b h ARG 37 Ca -0.00 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.98 1y8b h ARG 37 Cb 0.07 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1y8b h ARG 37 CO 0.00 0.89 -0.88 -0.97 -1.51 0.00 0.00 179.97 177.50 1y8b h ASN 38 N -1.00 0.02 0.60 -3.80 -0.00 0.27 -3.08 115.58 108.59 1y8b h ASN 38 Ca -0.04 -0.01 -0.03 0.00 -0.00 0.00 0.00 56.30 56.21 1y8b h ASN 38 Cb 0.93 -0.01 0.01 0.00 -0.00 0.00 0.00 38.32 39.25 1y8b h ASN 38 CO -0.03 0.89 -0.29 0.15 -0.00 0.00 0.00 177.43 178.15 1y8b h PHE 39 N 0.01 -0.75 -0.82 0.67 3.57 0.11 -1.45 116.94 118.26 1y8b h PHE 39 Ca -0.01 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.71 1y8b h PHE 39 Cb 1.56 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 40.52 1y8b h PHE 39 CO 0.00 -0.47 0.60 -0.44 -2.23 0.00 0.00 178.31 175.77 1y8b h ASP 40 N -1.03 0.00 0.31 0.41 5.19 -1.65 0.12 116.42 119.76 1y8b h ASP 40 Ca -0.08 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 1y8b h ASP 40 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1y8b h ASP 40 CO 0.14 0.00 -0.15 -0.08 -3.12 0.00 0.00 179.24 176.03 1y8b h GLU 41 N 0.00 -0.39 -0.00 3.56 4.81 -1.40 -2.53 114.58 118.62 1y8b h GLU 41 Ca 0.39 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1y8b h GLU 41 Cb 1.59 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.06 1y8b h GLU 41 CO -0.00 -0.26 0.01 -0.84 -0.73 0.00 0.00 179.01 177.18 1y8b h ILE 42 N -0.65 0.35 0.43 2.32 3.07 -0.79 0.59 117.51 122.84 1y8b h ILE 42 Ca -0.04 0.00 -0.02 0.00 1.55 0.00 0.00 64.86 66.35 1y8b h ILE 42 Cb 0.31 1.00 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 1y8b h ILE 42 CO 0.07 0.00 -0.21 0.58 -1.05 0.00 0.00 178.15 177.54 1y8b h VAL 43 N 0.00 0.43 0.00 0.16 2.07 -0.75 0.14 116.25 118.30 1y8b h VAL 43 Ca 0.00 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1y8b h VAL 43 Cb 0.01 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1y8b h VAL 43 CO -0.00 0.07 -0.42 -0.74 0.02 0.00 0.00 177.57 176.51 1y8b h HIS 44 N -0.95 0.00 0.00 1.57 -0.00 -1.13 -2.91 115.15 111.74 1y8b h HIS 44 Ca -0.06 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.28 1y8b h HIS 44 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.97 1y8b h HIS 44 CO 0.02 0.22 -0.40 -0.44 -0.00 0.00 0.00 177.93 177.32 1y8b h ASP 45 N 0.00 0.00 0.31 3.26 5.19 0.15 -3.41 116.42 121.92 1y8b h ASP 45 Ca -0.01 -0.13 -0.33 0.00 -0.62 0.00 0.00 57.03 55.94 1y8b h ASP 45 Cb 1.18 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 1y8b h ASP 45 CO 0.03 0.78 -1.79 -0.07 -3.12 0.00 0.00 179.24 175.06 1y8b h LEU 46 N -1.00 0.30 -0.57 1.55 4.07 -0.94 -3.39 115.31 115.33 1y8b h LEU 46 Ca -0.04 -0.59 0.11 0.00 0.08 0.00 0.00 57.88 57.45 1y8b h LEU 46 Cb 0.48 -0.10 -0.11 0.00 1.08 0.00 0.00 40.66 42.01 1y8b h LEU 46 CO -0.03 1.52 -0.20 0.00 -1.08 0.00 0.00 178.44 178.65 1y8b h ALA 47 N 0.44 0.25 0.00 1.53 0.00 -0.89 0.30 119.26 120.90 1y8b h ALA 47 Ca -0.34 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1y8b h ALA 47 Cb 2.03 0.54 0.00 0.00 0.00 0.00 0.00 17.79 20.35 1y8b h ALA 47 CO 0.11 -0.50 0.07 -0.35 0.00 0.00 0.00 179.25 178.57 1y8b n PRO 48 N -5.42 0.09 -0.00 0.00 -0.04 -1.26 -2.13 135.00 126.24 1y8b n PRO 48 Ca 0.06 0.57 -0.17 0.00 -0.04 0.00 0.00 63.50 63.92 1y8b n PRO 48 Cb 0.32 -1.87 -0.11 0.00 -0.04 0.00 0.00 33.50 31.81 1y8b n PRO 48 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1y8b h GLU 49 N 0.00 0.40 0.00 0.54 4.11 -0.60 -3.17 114.58 115.86 1y8b h GLU 49 Ca 0.00 -0.42 -0.04 0.00 0.07 0.00 0.00 59.36 58.96 1y8b h GLU 49 Cb 0.13 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1y8b h GLU 49 CO 0.00 1.09 -0.21 -0.91 0.07 0.00 0.00 179.01 179.04 1y8b h ASN 50 N -0.12 0.00 -0.19 3.06 4.21 -1.47 -2.13 115.58 118.94 1y8b h ASN 50 Ca -0.07 0.00 -0.05 0.00 1.21 0.00 0.00 56.30 57.39 1y8b h ASN 50 Cb 1.28 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.47 1y8b h ASN 50 CO 0.11 0.21 -0.02 0.03 -1.29 0.00 0.00 177.43 176.48 1y8b h ARG 51 N 0.00 0.47 -0.05 0.81 3.08 -1.55 -2.80 114.38 114.33 1y8b h ARG 51 Ca -0.00 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.97 1y8b h ARG 51 Cb 0.41 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1y8b h ARG 51 CO 0.03 0.51 -0.05 1.96 -1.07 0.00 0.00 179.97 181.35 1y8b h GLN 52 N 0.45 -0.06 -0.90 0.04 1.08 -1.37 -1.49 115.11 112.86 1y8b h GLN 52 Ca 0.10 0.00 0.17 0.00 -1.45 0.00 0.00 58.65 57.47 1y8b h GLN 52 Cb 0.32 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.69 1y8b h GLN 52 CO 0.01 -0.04 0.58 1.25 -0.95 0.00 0.00 178.83 179.69 1y8b h LEU 53 N -0.06 0.59 -0.27 1.46 5.85 -1.57 0.14 115.31 121.46 1y8b h LEU 53 Ca 0.04 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1y8b h LEU 53 Cb 0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1y8b h LEU 53 CO -0.09 0.27 0.14 -0.07 -0.34 0.00 0.00 178.44 178.35 1y8b h LEU 54 N 0.61 0.34 -0.94 2.25 -0.00 -1.20 1.74 115.31 118.10 1y8b h LEU 54 Ca 0.47 -0.10 -0.09 0.00 -0.00 0.00 0.00 57.88 58.16 1y8b h LEU 54 Cb 0.88 -0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 1y8b h LEU 54 CO -0.22 0.34 -0.43 0.00 -0.00 0.00 0.00 178.44 178.14 1y8b h ALA 55 N 1.01 1.03 0.18 1.53 0.00 -0.74 -2.33 119.26 119.93 1y8b h ALA 55 Ca 0.09 -0.39 -0.34 0.00 0.00 0.00 0.00 54.91 54.27 1y8b h ALA 55 Cb 0.09 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1y8b h ALA 55 CO -0.01 0.54 -1.69 0.93 0.00 0.00 0.00 179.25 179.01 1y8b h GLU 56 N 0.00 0.37 -0.37 0.00 3.07 -0.25 -3.15 114.58 114.25 1y8b h GLU 56 Ca -0.00 -0.64 -0.07 0.00 -0.50 0.00 0.00 59.36 58.15 1y8b h GLU 56 Cb 0.92 0.24 -0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1y8b h GLU 56 CO 0.06 1.28 -0.07 -0.09 -1.40 0.00 0.00 179.01 178.79 1y8b h ARG 57 N 0.10 0.62 0.00 2.33 9.65 0.26 -2.21 114.38 125.13 1y8b h ARG 57 Ca -0.32 -0.17 -0.09 0.00 -1.10 0.00 0.00 59.98 58.30 1y8b h ARG 57 Cb 2.09 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.59 1y8b h ARG 57 CO 0.18 0.69 -0.41 0.22 2.80 0.00 0.00 179.97 183.45 1y8b h ASP 58 N 0.58 0.00 0.18 -3.80 3.58 -1.53 -2.96 116.42 112.46 1y8b h ASP 58 Ca 0.11 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.44 1y8b h ASP 58 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1y8b h ASP 58 CO 0.02 0.41 -0.42 -0.09 -2.88 0.00 0.00 179.24 176.28 1y8b h ARG 59 N 0.00 0.32 -0.45 0.28 2.43 -1.35 -2.69 114.38 112.92 1y8b h ARG 59 Ca -0.00 -0.16 0.13 0.00 -0.81 0.00 0.00 59.98 59.14 1y8b h ARG 59 Cb 0.93 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 1y8b h ARG 59 CO 0.05 0.69 0.41 0.97 -1.51 0.00 0.00 179.97 180.58 1y8b h ILE 60 N 0.26 0.50 0.23 1.20 6.09 -1.34 -0.17 117.51 124.29 1y8b h ILE 60 Ca 0.02 0.00 -0.30 0.00 -1.37 0.00 0.00 64.86 63.21 1y8b h ILE 60 Cb 0.86 0.69 0.03 0.00 0.47 0.00 0.00 36.82 38.88 1y8b h ILE 60 CO 0.07 0.00 -1.31 1.56 -3.07 0.00 0.00 178.15 175.40 1y8b h GLN 61 N 0.00 0.48 -0.67 2.19 4.20 -1.63 -2.42 115.11 117.27 1y8b h GLN 61 Ca 0.21 -0.83 0.07 0.00 0.06 0.00 0.00 58.65 58.17 1y8b h GLN 61 Cb 1.02 0.31 -0.06 0.00 0.30 0.00 0.00 27.48 29.05 1y8b h GLN 61 CO -0.00 1.40 0.35 0.00 -0.67 0.00 0.00 178.83 179.91 1y8b h ALA 62 N 0.13 0.90 -0.14 3.87 0.00 -1.06 3.38 119.26 126.35 1y8b h ALA 62 Ca -0.23 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1y8b h ALA 62 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1y8b h ALA 62 CO 0.25 -0.00 -0.36 0.00 0.00 0.00 0.00 179.25 179.13 1y8b h ALA 63 N 1.37 0.23 -0.09 0.00 0.00 -1.52 -2.74 119.26 116.51 1y8b h ALA 63 Ca 0.31 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.61 1y8b h ALA 63 Cb 0.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1y8b h ALA 63 CO -0.22 0.30 -0.62 -0.07 0.00 0.00 0.00 179.25 178.65 1y8b h LEU 64 N 0.09 0.70 -2.77 0.00 -0.00 -0.91 -2.59 115.31 109.83 1y8b h LEU 64 Ca -0.01 -0.66 0.00 0.00 -0.00 0.00 0.00 57.88 57.21 1y8b h LEU 64 Cb 0.98 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1y8b h LEU 64 CO 0.08 1.26 0.06 -0.78 -0.00 0.00 0.00 178.44 179.06 1y8b h ASP 65 N 0.20 0.00 0.00 -0.43 3.58 0.62 -0.78 116.42 119.62 1y8b h ASP 65 Ca -0.05 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 1y8b h ASP 65 Cb 1.27 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.30 1y8b h ASP 65 CO 0.13 0.00 -0.63 -0.33 -2.88 0.00 0.00 179.24 175.52 1y8b h GLU 66 N 0.00 0.00 -0.76 0.28 4.39 -1.30 -2.95 114.58 114.23 1y8b h GLU 66 Ca 0.00 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1y8b h GLU 66 Cb 0.13 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 1y8b h GLU 66 CO -0.00 0.68 0.45 2.35 -1.16 0.00 0.00 179.01 181.33 1y8b h TRP 67 N -1.00 0.83 0.07 4.33 2.91 -1.09 0.11 115.95 122.11 1y8b h TRP 67 Ca -0.15 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 59.90 1y8b h TRP 67 Cb 0.91 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.30 1y8b h TRP 67 CO 0.07 0.40 -0.03 1.25 -1.03 0.00 0.00 178.44 179.10 1y8b h HIS 68 N 0.81 -0.09 0.12 2.65 2.76 -1.31 -0.95 115.15 119.15 1y8b h HIS 68 Ca 0.34 -0.00 0.01 0.00 -2.20 0.00 0.00 60.37 58.52 1y8b h HIS 68 Cb 0.20 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 1y8b h HIS 68 CO -0.06 0.14 -0.15 -0.09 -1.30 0.00 0.00 177.93 176.48 1y8b h ARG 69 N -0.31 -0.30 0.00 5.26 1.12 -1.27 0.14 114.38 119.02 1y8b h ARG 69 Ca -0.01 0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 1y8b h ARG 69 Cb 0.27 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1y8b h ARG 69 CO 0.02 -0.20 0.00 1.03 -3.11 0.00 0.00 179.97 177.71 1y8b h SER 70 N -0.31 0.00 -1.61 -3.80 0.87 -0.75 -3.30 113.55 104.65 1y8b h SER 70 Ca 0.01 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.25 1y8b h SER 70 Cb 0.31 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.01 1y8b h SER 70 CO -0.06 0.00 -0.67 0.21 -0.53 0.00 0.00 176.83 175.78 1y8b s ASN 71 N -4.16 -0.03 0.82 6.23 2.47 0.23 -5.07 114.94 115.44 1y8b s ASN 71 Ca -0.02 -1.98 -0.12 0.00 0.42 0.00 0.00 52.86 51.17 1y8b s ASN 71 Cb 0.07 0.93 0.09 0.00 -1.45 0.00 0.00 41.25 40.89 1y8b s ASN 71 CO 0.23 -0.15 1.11 -2.16 -3.72 0.00 0.00 177.10 172.42 1y8b s PRO 72 N 0.88 1.87 0.00 0.43 0.04 0.17 -4.45 135.00 133.93 1y8b s PRO 72 Ca 0.26 0.55 0.00 0.00 0.04 0.00 0.00 61.00 61.85 1y8b s PRO 72 Cb -0.03 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.61 1y8b s PRO 72 CO -0.09 -1.75 0.00 0.41 0.04 0.00 0.00 177.00 175.61 1y8b n GLY 73 N -2.15 0.62 3.44 0.56 0.00 -1.26 -4.97 105.19 101.43 1y8b n GLY 73 Ca 0.07 -1.91 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 1y8b n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y8b n PRO 74 N 0.99 0.44 -1.96 1.61 -0.02 -1.26 -4.85 135.00 129.95 1y8b n PRO 74 Ca 0.00 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 1y8b n PRO 74 Cb 0.00 -1.30 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1y8b n PRO 74 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1y8b s VAL 75 N -1.18 2.48 0.38 -1.45 1.01 -1.26 -5.01 120.40 115.37 1y8b s VAL 75 Ca 0.62 0.42 0.06 0.00 0.00 0.00 0.00 61.98 63.08 1y8b s VAL 75 Cb -0.78 -3.27 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 1y8b s VAL 75 CO 0.58 0.08 0.02 -0.54 0.00 0.00 0.00 175.10 175.24 1y8b s LYS 76 N -0.80 1.87 -1.01 2.72 -0.14 -1.26 -4.83 119.74 116.28 1y8b s LYS 76 Ca 0.58 -2.05 -0.14 0.00 -1.36 0.00 0.00 55.97 53.00 1y8b s LYS 76 Cb -0.43 -1.42 -0.01 0.00 -1.68 0.00 0.00 37.83 34.29 1y8b s LYS 76 CO 0.48 -0.09 0.75 -3.47 -0.76 0.00 0.00 175.35 172.26 1y8b n ASP 77 N -0.89 -5.73 -0.39 2.83 -0.08 -1.26 -4.64 116.55 106.39 1y8b n ASP 77 Ca -0.04 -0.84 0.36 0.00 -1.51 0.00 0.00 54.79 52.76 1y8b n ASP 77 Cb 0.67 -3.47 0.71 0.00 2.34 0.00 0.00 41.12 41.36 1y8b n ASP 77 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1y8b h LYS 78 N -1.19 0.08 0.31 -0.67 1.79 -1.95 0.14 116.57 115.08 1y8b h LYS 78 Ca -0.54 -0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 57.91 1y8b h LYS 78 Cb 1.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1y8b h LYS 78 CO 0.43 0.05 -0.15 0.00 -1.08 0.00 0.00 179.45 178.71 1y8b h ALA 79 N 1.41 -0.41 -0.90 3.86 0.00 -1.98 1.93 119.26 123.18 1y8b h ALA 79 Ca 0.66 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.56 1y8b h ALA 79 Cb 2.39 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 20.27 1y8b h ALA 79 CO -0.11 -0.72 0.58 0.00 0.00 0.00 0.00 179.25 179.00 1y8b h ALA 80 N 0.26 1.60 0.21 0.00 0.00 -1.02 -0.43 119.26 119.89 1y8b h ALA 80 Ca -0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.54 1y8b h ALA 80 Cb 0.33 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.93 1y8b h ALA 80 CO 0.07 0.22 -1.40 1.88 0.00 0.00 0.00 179.25 180.02 1y8b h TYR 81 N 0.92 0.98 -0.14 0.00 -1.99 -1.08 -2.87 116.97 112.79 1y8b h TYR 81 Ca 0.41 -0.68 0.03 0.00 2.00 0.00 0.00 58.73 60.50 1y8b h TYR 81 Cb 0.37 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.01 1y8b h TYR 81 CO -0.00 1.52 -0.08 -0.22 -0.00 0.00 0.00 178.16 179.39 1y8b h LYS 82 N 0.19 -0.07 0.53 4.88 3.64 0.38 -1.59 116.57 124.54 1y8b h LYS 82 Ca -0.23 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.13 1y8b h LYS 82 Cb 2.08 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 33.92 1y8b h LYS 82 CO 0.26 -0.04 -0.26 0.77 -2.27 0.00 0.00 179.45 177.91 1y8b h SER 83 N -0.07 -0.61 -0.91 4.20 0.02 -1.21 -1.39 113.55 113.60 1y8b h SER 83 Ca 0.08 -0.03 0.25 0.00 -0.84 0.00 0.00 61.79 61.25 1y8b h SER 83 Cb 0.19 0.16 -0.15 0.00 0.14 0.00 0.00 62.40 62.73 1y8b h SER 83 CO -0.18 -0.35 0.26 0.15 -1.14 0.00 0.00 176.83 175.57 1y8b h PHE 84 N -0.84 0.38 -0.30 3.45 3.57 -1.35 1.22 116.94 123.06 1y8b h PHE 84 Ca -0.07 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1y8b h PHE 84 Cb 0.60 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1y8b h PHE 84 CO -0.01 -0.24 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.58 1y8b h LEU 85 N 0.19 0.53 -0.41 0.59 3.38 -1.03 0.47 115.31 119.03 1y8b h LEU 85 Ca 0.59 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.31 1y8b h LEU 85 Cb 1.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1y8b h LEU 85 CO -0.68 0.72 -0.08 -0.09 0.09 0.00 0.00 178.44 178.39 1y8b h ARG 86 N 0.49 0.78 0.00 1.13 2.43 0.25 3.74 114.38 123.19 1y8b h ARG 86 Ca 0.08 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 1y8b h ARG 86 Cb 0.57 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1y8b h ARG 86 CO 0.04 0.90 -0.30 0.39 -1.51 0.00 0.00 179.97 179.49 1y8b n GLU 87 N -4.34 0.25 -0.00 0.20 1.02 0.42 -4.03 120.64 114.17 1y8b n GLU 87 Ca -0.01 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1y8b n GLU 87 Cb 0.35 -1.72 -0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1y8b n GLU 87 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1y8b n LEU 88 N -2.11 0.00 0.00 -4.62 0.00 0.16 -4.94 117.00 105.49 1y8b n LEU 88 Ca 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 56.01 55.78 1y8b n LEU 88 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.84 1y8b n LEU 88 CO 0.33 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.33 1y8b n GLY 89 N 1.66 1.18 0.00 -3.96 0.00 1.23 -4.98 105.19 100.33 1y8b n GLY 89 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y8b n GLY 89 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1y8b n TYR 90 N 0.00 0.00 -2.35 1.61 9.36 -1.24 -5.02 117.16 119.53 1y8b n TYR 90 Ca 0.00 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.79 1y8b n TYR 90 Cb 0.00 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.69 1y8b n TYR 90 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1y8b s LEU 91 N 0.00 3.59 0.07 2.98 1.02 -1.26 -4.95 118.68 120.14 1y8b s LEU 91 Ca 0.00 0.84 0.04 0.00 0.02 0.00 0.00 54.13 55.03 1y8b s LEU 91 Cb 0.00 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.64 1y8b s LEU 91 CO 0.00 -1.43 -0.10 0.68 0.02 0.00 0.00 176.35 175.52 1y8b s VAL 92 N 5.42 0.85 0.43 -1.59 -7.23 -1.26 -5.01 120.40 112.01 1y8b s VAL 92 Ca 0.61 -1.35 -0.25 0.00 -1.81 0.00 0.00 61.98 59.18 1y8b s VAL 92 Cb -0.14 -1.02 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 1y8b s VAL 92 CO 0.32 -0.40 1.30 -2.16 -0.31 0.00 0.00 175.10 173.85 1y8b s PRO 93 N -2.08 3.85 0.07 4.82 0.04 -1.26 -4.89 135.00 135.55 1y8b s PRO 93 Ca -0.02 2.13 -0.03 0.00 0.04 0.00 0.00 61.00 63.12 1y8b s PRO 93 Cb -0.07 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1y8b s PRO 93 CO 0.01 -0.59 0.05 1.14 0.04 0.00 0.00 177.00 177.65 1y8b s GLN 94 N -2.37 0.72 0.52 4.56 0.00 -1.26 -5.03 119.66 116.80 1y8b s GLN 94 Ca 0.59 -1.16 -0.13 0.00 -0.00 0.00 0.00 55.36 54.66 1y8b s GLN 94 Cb -0.37 0.26 -0.11 0.00 0.00 0.00 0.00 33.01 32.78 1y8b s GLN 94 CO 0.48 -0.18 -0.31 -2.30 0.00 0.00 0.00 175.29 172.98 1y8b n PRO 95 N 0.03 0.00 0.12 9.60 -0.02 -1.26 -4.84 135.00 138.63 1y8b n PRO 95 Ca -0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.32 1y8b n PRO 95 Cb 0.62 -0.73 0.11 0.00 -0.02 0.00 0.00 33.50 33.48 1y8b n PRO 95 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1y8b h GLU 96 N -0.32 0.00 -3.23 -0.52 3.07 -2.00 -3.47 114.58 108.11 1y8b h GLU 96 Ca -0.31 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.57 1y8b h GLU 96 Cb 1.01 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.86 1y8b h GLU 96 CO 0.25 0.69 0.11 -0.98 -1.40 0.00 0.00 179.01 177.68 1y8b s ARG 97 N -3.42 1.72 0.08 2.33 1.70 -1.26 -5.16 118.95 114.94 1y8b s ARG 97 Ca -0.01 -1.10 0.09 0.00 -0.47 0.00 0.00 55.73 54.25 1y8b s ARG 97 Cb 0.12 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 35.03 1y8b s ARG 97 CO 0.77 -0.77 -0.24 0.08 -1.08 0.00 0.00 175.30 174.06 1y8b s VAL 98 N -3.91 1.99 -0.50 4.99 1.01 -1.26 -5.06 120.40 117.67 1y8b s VAL 98 Ca 0.15 -1.49 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1y8b s VAL 98 Cb -0.04 -1.74 0.13 0.00 0.00 0.00 0.00 36.38 34.73 1y8b s VAL 98 CO 0.08 0.17 0.31 -0.89 0.00 0.00 0.00 175.10 174.76 1y8b s THR 99 N -0.95 3.52 -0.11 3.92 2.01 -1.26 -4.95 115.64 117.83 1y8b s THR 99 Ca 0.10 -2.40 -0.29 0.00 0.31 0.00 0.00 61.69 59.41 1y8b s THR 99 Cb -0.10 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1y8b s THR 99 CO 0.04 -0.77 1.49 -0.69 -0.69 0.00 0.00 174.62 174.00 1y8b s VAL 100 N 0.68 3.87 -0.13 3.82 1.01 -1.26 -4.75 120.40 123.63 1y8b s VAL 100 Ca 0.12 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1y8b s VAL 100 Cb -0.22 -3.69 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1y8b s VAL 100 CO -0.04 -0.10 0.05 -1.83 0.00 0.00 0.00 175.10 173.18 1y8b s GLU 101 N 3.85 0.34 0.16 2.72 -1.05 -1.26 -5.10 118.70 118.35 1y8b s GLU 101 Ca 0.66 -0.07 0.03 0.00 -0.15 0.00 0.00 54.97 55.44 1y8b s GLU 101 Cb -0.28 -1.52 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 1y8b s GLU 101 CO 0.23 -0.53 -0.04 0.95 0.95 0.00 0.00 175.26 176.83 1y8b s THR 102 N 2.02 0.85 0.63 1.83 -4.23 -1.26 -4.87 115.64 110.60 1y8b s THR 102 Ca 0.02 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.58 1y8b s THR 102 Cb -0.15 -1.98 0.09 0.00 1.34 0.00 0.00 72.50 71.80 1y8b s THR 102 CO -0.07 -0.61 0.86 -0.89 -0.54 0.00 0.00 174.62 173.37 1y8b s THR 103 N -3.54 2.25 0.00 3.99 2.01 -1.26 -4.95 115.64 114.14 1y8b s THR 103 Ca 0.20 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1y8b s THR 103 Cb 0.05 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.10 1y8b s THR 103 CO 0.02 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1y8b n GLY 104 N -2.48 0.69 0.00 4.40 0.00 -1.26 -4.91 105.19 101.63 1y8b n GLY 104 Ca 0.14 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1y8b n GLY 104 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1y8b n ILE 105 N 0.00 0.00 -4.10 -0.61 0.13 -1.26 -5.14 119.36 108.37 1y8b n ILE 105 Ca 0.00 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.31 1y8b n ILE 105 Cb 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 39.64 38.65 1y8b n ILE 105 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1y8b s ASP 106 N 0.00 3.47 0.33 9.51 -1.08 -1.26 -4.98 116.67 122.66 1y8b s ASP 106 Ca 0.00 -0.57 0.10 0.00 -0.52 0.00 0.00 52.55 51.56 1y8b s ASP 106 Cb 0.00 -1.55 0.99 0.00 -1.46 0.00 0.00 42.92 40.90 1y8b s ASP 106 CO 0.00 0.00 1.55 -1.20 0.52 0.00 0.00 175.17 176.04 1y8b n SER 107 N 4.62 0.08 0.26 -0.34 7.64 -1.26 0.18 113.62 124.79 1y8b n SER 107 Ca -0.20 1.66 -0.15 0.00 1.01 0.00 0.00 58.87 61.18 1y8b n SER 107 Cb 0.50 -0.69 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 1y8b n SER 107 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1y8b h GLU 108 N 0.00 -0.83 0.00 1.43 5.08 -1.88 2.77 114.58 121.16 1y8b h GLU 108 Ca 0.70 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 1y8b h GLU 108 Cb 1.64 0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1y8b h GLU 108 CO -0.86 -0.55 0.00 1.51 -1.00 0.00 0.00 179.01 178.11 1y8b n ILE 109 N -4.95 0.60 -0.11 3.13 3.06 0.22 -2.13 119.36 119.18 1y8b n ILE 109 Ca -0.10 -0.05 -0.24 0.00 -2.50 0.00 0.00 62.75 59.85 1y8b n ILE 109 Cb 0.39 -0.77 -0.11 0.00 0.54 0.00 0.00 39.64 39.68 1y8b n ILE 109 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1y8b n THR 110 N -2.08 1.54 -2.69 9.51 -1.04 0.47 -4.85 114.28 115.14 1y8b n THR 110 Ca 0.05 -0.15 -0.06 0.00 -2.04 0.00 0.00 64.05 61.85 1y8b n THR 110 Cb 0.34 -1.98 0.11 0.00 -1.82 0.00 0.00 70.33 66.98 1y8b n THR 110 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1y8b n SER 111 N -4.35 -1.37 -3.63 8.00 7.64 0.87 -5.00 113.62 115.78 1y8b n SER 111 Ca -0.39 -2.41 -0.12 0.00 1.01 0.00 0.00 58.87 56.97 1y8b n SER 111 Cb 0.75 0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 64.62 1y8b n SER 111 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1y8b s GLN 112 N -0.26 0.77 0.11 1.43 -0.21 0.19 -4.79 119.66 116.91 1y8b s GLN 112 Ca 0.19 1.00 -0.26 0.00 0.02 0.00 0.00 55.36 56.31 1y8b s GLN 112 Cb 0.42 0.34 0.08 0.00 1.00 0.00 0.00 33.01 34.84 1y8b s GLN 112 CO -0.09 -0.11 1.03 0.00 -2.12 0.00 0.00 175.29 174.01 1y8b s ALA 113 N 0.63 -1.79 0.00 6.09 0.00 -1.26 -4.16 121.76 121.27 1y8b s ALA 113 Ca -0.02 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.20 1y8b s ALA 113 Cb -0.05 0.57 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1y8b s ALA 113 CO -0.04 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.09 1y8b n GLY 114 N -0.47 -0.97 3.59 0.00 0.00 -1.26 -4.45 105.19 101.62 1y8b n GLY 114 Ca -0.07 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.80 1y8b n GLY 114 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y8b n PRO 115 N 0.00 0.92 -4.25 1.61 -0.02 -1.23 -4.62 135.00 127.41 1y8b n PRO 115 Ca 0.00 0.35 -0.23 0.00 -2.02 0.00 0.00 63.50 61.60 1y8b n PRO 115 Cb 0.00 -2.06 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1y8b n PRO 115 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1y8b s GLN 116 N -2.49 2.45 -0.02 -0.52 1.11 -0.99 -2.17 119.66 117.03 1y8b s GLN 116 Ca 0.72 -1.33 -0.01 0.00 0.01 0.00 0.00 55.36 54.75 1y8b s GLN 116 Cb -0.45 -2.26 0.01 0.00 -1.01 0.00 0.00 33.01 29.30 1y8b s GLN 116 CO 0.50 0.37 0.04 -1.17 0.01 0.00 0.00 175.29 175.04 1y8b s LEU 117 N -3.71 1.77 -0.03 2.90 1.98 -0.84 -2.48 118.68 118.27 1y8b s LEU 117 Ca 0.32 0.08 -0.00 0.00 -2.89 0.00 0.00 54.13 51.63 1y8b s LEU 117 Cb -0.07 0.11 -0.04 0.00 0.66 0.00 0.00 46.19 46.86 1y8b s LEU 117 CO 0.21 -0.02 0.02 -0.69 -1.89 0.00 0.00 176.35 173.97 1y8b s VAL 118 N 0.13 4.34 -0.09 1.68 1.01 -1.26 -2.76 120.40 123.45 1y8b s VAL 118 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1y8b s VAL 118 Cb -0.01 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 1y8b s VAL 118 CO -0.00 0.46 -0.09 0.68 0.00 0.00 0.00 175.10 176.14 1y8b s VAL 119 N -1.03 3.47 0.19 2.92 -7.23 -1.18 -4.94 120.40 112.60 1y8b s VAL 119 Ca 0.18 -0.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 1y8b s VAL 119 Cb -0.12 -2.43 -0.17 0.00 0.56 0.00 0.00 36.38 34.23 1y8b s VAL 119 CO 0.08 0.57 0.72 -2.65 -0.31 0.00 0.00 175.10 173.51 1y8b n PRO 120 N 2.66 0.34 0.00 4.82 -0.02 -1.26 -3.14 135.00 138.39 1y8b n PRO 120 Ca -0.18 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1y8b n PRO 120 Cb 0.53 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 1y8b n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y8b n ALA 121 N 0.32 1.09 -2.60 3.55 0.00 -1.26 -3.83 120.51 117.78 1y8b n ALA 121 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 1y8b n ALA 121 Cb 0.24 -1.91 0.01 0.00 0.00 0.00 0.00 19.45 17.80 1y8b n ALA 121 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y8b n MET 122 N 2.41 -0.96 -3.43 0.00 2.81 -1.26 -4.82 117.12 111.87 1y8b n MET 122 Ca 0.00 0.10 -0.44 0.00 -1.81 0.00 0.00 57.70 55.55 1y8b n MET 122 Cb 0.00 -2.91 -0.09 0.00 -0.71 0.00 0.00 33.22 29.51 1y8b n MET 122 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1y8b s ASN 123 N -3.05 6.10 0.14 7.83 3.84 -1.25 -4.93 114.94 123.63 1y8b s ASN 123 Ca 0.07 -1.19 0.00 0.00 0.21 0.00 0.00 52.86 51.95 1y8b s ASN 123 Cb -0.03 -2.16 0.00 0.00 -0.55 0.00 0.00 41.25 38.51 1y8b s ASN 123 CO 0.09 -0.57 0.00 0.00 -2.79 0.00 0.00 177.10 173.83 1y8b n ALA 124 N 5.17 -1.00 0.11 1.71 0.00 -1.26 -4.22 120.51 121.02 1y8b n ALA 124 Ca -0.12 0.20 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 1y8b n ALA 124 Cb 0.45 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.36 1y8b n ALA 124 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1y8b h ARG 125 N -0.37 0.35 0.00 0.00 0.11 -1.92 -3.22 114.38 109.33 1y8b h ARG 125 Ca -0.03 -0.58 0.00 0.00 0.10 0.00 0.00 59.98 59.47 1y8b h ARG 125 Cb 0.36 0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.66 1y8b h ARG 125 CO 0.01 1.27 0.71 1.88 0.10 0.00 0.00 179.97 183.95 1y8b h TYR 126 N 0.10 0.00 -0.19 4.08 -1.99 -1.93 0.91 116.97 117.95 1y8b h TYR 126 Ca -0.16 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.48 1y8b h TYR 126 Cb 2.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.72 1y8b h TYR 126 CO 0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 178.16 177.97 1y8b h ALA 127 N 0.57 1.19 -0.07 3.88 0.00 -1.73 -2.48 119.26 120.62 1y8b h ALA 127 Ca 0.00 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1y8b h ALA 127 Cb 1.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1y8b h ALA 127 CO 0.00 0.52 -0.26 1.25 0.00 0.00 0.00 179.25 180.77 1y8b h LEU 128 N 0.32 0.12 -2.12 0.00 6.46 0.64 -1.90 115.31 118.83 1y8b h LEU 128 Ca 0.05 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1y8b h LEU 128 Cb 0.64 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.54 1y8b h LEU 128 CO 0.05 0.39 -0.04 0.78 -0.62 0.00 0.00 178.44 179.00 1y8b h ASN 129 N 0.12 0.00 -0.03 1.25 2.35 -1.52 -2.84 115.58 114.91 1y8b h ASN 129 Ca 0.02 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1y8b h ASN 129 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1y8b h ASN 129 CO 0.04 0.04 -0.08 0.00 -1.65 0.00 0.00 177.43 175.78 1y8b h ALA 130 N 1.96 0.05 -0.99 -0.83 0.00 -1.38 -3.13 119.26 114.94 1y8b h ALA 130 Ca -0.00 -0.33 0.21 0.00 0.00 0.00 0.00 54.91 54.78 1y8b h ALA 130 Cb 0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 1y8b h ALA 130 CO 0.00 -0.09 0.62 0.00 0.00 0.00 0.00 179.25 179.78 1y8b h ALA 131 N 0.42 1.89 -0.12 0.00 0.00 -1.56 1.02 119.26 120.91 1y8b h ALA 131 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y8b h ALA 131 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1y8b h ALA 131 CO 0.02 -0.24 0.00 -1.71 0.00 0.00 0.00 179.25 177.31 1y8b n ASN 132 N -4.69 1.21 0.00 0.00 2.85 -1.19 -2.70 115.26 110.74 1y8b n ASN 132 Ca 0.23 -2.07 0.07 0.00 -0.11 0.00 0.00 54.58 52.70 1y8b n ASN 132 Cb 0.65 -0.28 0.41 0.00 1.24 0.00 0.00 39.78 41.81 1y8b n ASN 132 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y8b n ALA 133 N -0.01 1.97 0.03 5.20 0.00 0.35 -3.13 120.51 124.93 1y8b n ALA 133 Ca 0.05 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1y8b n ALA 133 Cb 0.24 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 1y8b n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1y8b h ARG 134 N 0.00 -0.08 -4.60 0.00 2.43 -1.78 -3.32 114.38 107.02 1y8b h ARG 134 Ca 0.00 0.01 -0.71 0.00 -0.81 0.00 0.00 59.98 58.46 1y8b h ARG 134 Cb 0.04 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 29.41 1y8b h ARG 134 CO 0.00 0.30 0.21 -0.46 -1.51 0.00 0.00 179.97 178.51 1y8b s TRP 135 N -4.59 3.13 0.05 2.20 -0.00 -1.18 -2.97 118.94 115.57 1y8b s TRP 135 Ca -0.15 -1.18 0.01 0.00 -0.00 0.00 0.00 56.10 54.79 1y8b s TRP 135 Cb 0.02 -4.02 -0.03 0.00 -0.00 0.00 0.00 33.47 29.44 1y8b s TRP 135 CO 0.64 -1.28 -0.06 0.20 -0.00 0.00 0.00 176.95 176.45 1y8b s GLY 136 N 3.42 0.53 -0.12 5.86 0.00 -1.26 -5.08 107.32 110.67 1y8b s GLY 136 Ca 0.15 -0.93 -0.13 0.00 0.00 0.00 0.00 44.72 43.82 1y8b s GLY 136 CO 0.02 -1.00 0.29 -0.56 0.00 0.00 0.00 173.10 171.85 1y8b s SER 137 N -2.05 6.51 0.37 1.64 0.01 -1.26 -3.44 113.70 115.47 1y8b s SER 137 Ca -0.04 0.60 0.07 0.00 1.31 0.00 0.00 55.95 57.89 1y8b s SER 137 Cb -0.04 -2.18 0.78 0.00 0.21 0.00 0.00 66.02 64.78 1y8b s SER 137 CO -0.02 0.20 1.96 0.25 0.41 0.00 0.00 173.24 176.04 1y8b h LEU 138 N 5.98 0.63 -0.20 2.44 5.85 -0.95 0.44 115.31 129.50 1y8b h LEU 138 Ca -0.46 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.31 1y8b h LEU 138 Cb 1.19 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.04 1y8b h LEU 138 CO 0.70 0.40 -0.09 0.22 -0.34 0.00 0.00 178.44 179.33 1y8b h TYR 139 N 0.71 -0.21 0.00 1.25 5.03 -1.93 -1.89 116.97 119.93 1y8b h TYR 139 Ca 0.31 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.64 1y8b h TYR 139 Cb 0.29 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.69 1y8b h TYR 139 CO -0.00 -0.14 -0.33 -0.44 -1.32 0.00 0.00 178.16 175.93 1y8b h ASP 140 N -0.06 0.00 0.53 -2.11 5.19 -1.74 -3.02 116.42 115.20 1y8b h ASP 140 Ca 0.11 -0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.46 1y8b h ASP 140 Cb 0.22 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.74 1y8b h ASP 140 CO -0.25 0.02 -0.25 0.00 -3.12 0.00 0.00 179.24 175.64 1y8b h ALA 141 N 2.19 -0.71 0.00 3.45 0.00 0.69 -3.19 119.26 121.69 1y8b h ALA 141 Ca 0.00 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1y8b h ALA 141 Cb 0.91 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1y8b h ALA 141 CO 0.00 -0.86 -0.68 1.37 0.00 0.00 0.00 179.25 179.08 1y8b h LEU 142 N -0.78 0.00 -1.25 0.00 8.10 -1.65 -3.34 115.31 116.39 1y8b h LEU 142 Ca -0.07 0.00 0.29 0.00 0.11 0.00 0.00 57.88 58.21 1y8b h LEU 142 Cb 0.57 0.00 -0.11 0.00 -0.44 0.00 0.00 40.66 40.68 1y8b h LEU 142 CO 0.12 0.16 0.67 0.22 -4.11 0.00 0.00 178.44 175.50 1y8b h TYR 143 N 0.00 0.75 -0.01 0.17 5.03 -1.51 0.32 116.97 121.72 1y8b h TYR 143 Ca -0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1y8b h TYR 143 Cb 1.15 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1y8b h TYR 143 CO 0.00 -0.00 -0.49 0.41 -1.32 0.00 0.00 178.16 176.76 1y8b n GLY 144 N -1.42 -0.27 3.99 1.82 0.00 -1.24 -4.95 105.19 103.11 1y8b n GLY 144 Ca 0.28 -0.58 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 1y8b n GLY 144 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y8b s SER 145 N -2.56 4.70 -0.56 1.61 0.15 0.11 -4.83 113.70 112.32 1y8b s SER 145 Ca 0.18 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1y8b s SER 145 Cb 0.18 -0.27 0.41 0.00 -1.71 0.00 0.00 66.02 64.63 1y8b s SER 145 CO 0.60 -1.60 2.01 -0.67 1.20 0.00 0.00 173.24 174.79 1y8b n ASP 146 N -2.63 7.04 -0.00 5.45 2.03 -1.25 -4.18 116.55 123.01 1y8b n ASP 146 Ca 0.13 -3.58 0.05 0.00 0.52 0.00 0.00 54.79 51.91 1y8b n ASP 146 Cb 0.60 -0.98 -0.08 0.00 -0.72 0.00 0.00 41.12 39.95 1y8b n ASP 146 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1y8b n ILE 147 N -0.62 0.00 0.30 5.18 3.06 -1.26 -2.58 119.36 123.43 1y8b n ILE 147 Ca 0.54 -0.25 0.06 0.00 -2.50 0.00 0.00 62.75 60.60 1y8b n ILE 147 Cb 0.72 0.56 -0.08 0.00 0.54 0.00 0.00 39.64 41.38 1y8b n ILE 147 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1y8b n ILE 148 N -1.63 0.00 0.00 9.51 0.00 -1.26 -4.73 119.36 121.25 1y8b n ILE 148 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 62.75 62.50 1y8b n ILE 148 Cb 0.24 0.63 0.00 0.00 0.00 0.00 0.00 39.64 40.51 1y8b n ILE 148 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1y8b n PRO 149 N -1.59 0.00 0.00 9.51 -0.02 -1.26 -4.63 135.00 137.01 1y8b n PRO 149 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1y8b n PRO 149 Cb 0.25 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 1y8b n PRO 149 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1y8b n GLN 150 N -1.17 0.00 -0.05 -0.52 1.13 -1.26 -2.88 117.38 112.64 1y8b n GLN 150 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 1y8b n GLN 150 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 1y8b n GLN 150 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1y8b n GLU 151 N 0.00 0.69 -3.86 -1.09 2.13 -1.26 -5.02 120.64 112.23 1y8b n GLU 151 Ca 0.00 0.04 -0.24 0.00 0.66 0.00 0.00 57.16 57.62 1y8b n GLU 151 Cb 0.00 -1.19 -0.00 0.00 0.27 0.00 0.00 31.44 30.52 1y8b n GLU 151 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y8b n GLY 152 N 2.96 -0.26 3.87 8.31 0.00 -1.14 -4.94 105.19 114.00 1y8b n GLY 152 Ca -0.16 0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1y8b n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y8b s ALA 153 N -3.83 3.24 0.10 4.61 0.00 -1.26 -4.89 121.76 119.72 1y8b s ALA 153 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.87 1y8b s ALA 153 Cb -0.02 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.24 1y8b s ALA 153 CO 0.86 -0.23 0.00 -1.33 0.00 0.00 0.00 175.76 175.06 1y8b n MET 154 N -1.75 -0.85 0.00 0.00 2.81 -1.26 -4.89 117.12 111.18 1y8b n MET 154 Ca 0.04 0.56 0.00 0.00 -1.81 0.00 0.00 57.70 56.49 1y8b n MET 154 Cb 0.54 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.02 1y8b n MET 154 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1y8b n VAL 155 N -1.85 0.00 0.00 2.03 3.14 -1.26 -5.13 118.33 115.26 1y8b n VAL 155 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1y8b n VAL 155 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 1y8b n VAL 155 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1y8b n SER 156 N 0.00 0.00 0.00 6.55 2.88 -1.26 -4.98 113.62 116.81 1y8b n SER 156 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1y8b n SER 156 Cb 0.17 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1y8b n SER 156 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1y8b n GLY 157 N 0.15 -2.23 3.65 0.46 0.00 -1.26 -4.80 105.19 101.17 1y8b n GLY 157 Ca 0.00 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1y8b n GLY 157 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y8b s TYR 158 N 0.00 2.83 0.13 1.61 2.02 -1.26 -5.01 117.35 117.67 1y8b s TYR 158 Ca 0.00 0.99 -0.08 0.00 -0.37 0.00 0.00 57.07 57.62 1y8b s TYR 158 Cb 0.00 -3.63 -0.06 0.00 -0.40 0.00 0.00 41.96 37.87 1y8b s TYR 158 CO 0.00 -1.60 0.42 0.16 -1.57 0.00 0.00 175.55 172.95 1y8b s ASP 159 N 2.21 6.57 0.13 2.29 -4.77 -1.26 -5.01 116.67 116.84 1y8b s ASP 159 Ca 0.54 0.73 -0.13 0.00 -3.30 0.00 0.00 52.55 50.39 1y8b s ASP 159 Cb -0.19 -2.15 -0.02 0.00 -1.09 0.00 0.00 42.92 39.47 1y8b s ASP 159 CO 0.17 0.08 1.53 1.55 0.70 0.00 0.00 175.17 179.20 1y8b h PRO 160 N 3.12 0.83 0.05 2.11 0.13 -1.99 -3.06 132.00 133.20 1y8b h PRO 160 Ca -0.47 -0.34 0.02 0.00 -0.87 0.00 0.00 66.00 64.34 1y8b h PRO 160 Cb 1.18 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 1y8b h PRO 160 CO 0.70 0.97 -0.50 0.37 -0.23 0.00 0.00 178.00 179.31 1y8b h GLN 161 N 0.66 -0.65 -0.37 0.86 4.15 -1.98 0.46 115.11 118.24 1y8b h GLN 161 Ca 0.10 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.65 1y8b h GLN 161 Cb 0.68 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.44 1y8b h GLN 161 CO 0.05 -0.44 -0.24 -0.09 -1.93 0.00 0.00 178.83 176.19 1y8b h ARG 162 N -0.68 -0.18 -0.85 1.69 9.65 -1.95 0.74 114.38 122.80 1y8b h ARG 162 Ca 0.02 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.02 1y8b h ARG 162 Cb 0.72 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 29.28 1y8b h ARG 162 CO -0.31 -0.12 0.55 0.78 2.80 0.00 0.00 179.97 183.67 1y8b h GLY 163 N -0.18 1.15 0.59 2.80 0.00 -1.23 1.06 103.07 107.26 1y8b h GLY 163 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 1y8b h GLY 163 CO -0.47 0.15 -0.14 -2.09 0.00 0.00 0.00 176.54 173.98 1y8b h GLU 164 N 0.75 0.21 0.00 4.80 4.81 0.38 -2.30 114.58 123.23 1y8b h GLU 164 Ca 0.41 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1y8b h GLU 164 Cb 0.55 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1y8b h GLU 164 CO -0.17 0.73 -0.01 0.37 -0.73 0.00 0.00 179.01 179.20 1y8b h GLN 165 N -0.29 0.00 -0.03 1.92 5.75 0.11 -3.10 115.11 119.48 1y8b h GLN 165 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1y8b h GLN 165 Cb 0.73 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.28 1y8b h GLN 165 CO 0.03 0.01 -0.22 0.28 -2.65 0.00 0.00 178.83 176.28 1y8b h VAL 166 N 0.00 1.49 0.00 2.39 2.07 0.13 -2.49 116.25 119.85 1y8b h VAL 166 Ca -0.00 -1.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.73 1y8b h VAL 166 Cb 0.58 2.56 -0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1y8b h VAL 166 CO 0.00 0.49 -0.05 0.16 0.02 0.00 0.00 177.57 178.19 1y8b h ILE 167 N -0.40 0.85 0.21 4.57 3.07 -1.34 0.11 117.51 124.57 1y8b h ILE 167 Ca -0.02 -0.17 -0.01 0.00 1.55 0.00 0.00 64.86 66.21 1y8b h ILE 167 Cb 0.92 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1y8b h ILE 167 CO 0.05 0.05 -0.10 0.00 -1.05 0.00 0.00 178.15 177.09 1y8b h ALA 168 N 1.95 -0.34 -0.93 0.16 0.00 -1.51 -2.45 119.26 116.14 1y8b h ALA 168 Ca -0.00 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.01 1y8b h ALA 168 Cb 0.09 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 17.91 1y8b h ALA 168 CO 0.01 -0.32 0.60 -1.49 0.00 0.00 0.00 179.25 178.04 1y8b h TRP 169 N -0.84 0.88 0.00 0.00 -0.00 -1.36 0.43 115.95 115.06 1y8b h TRP 169 Ca -0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 58.89 58.84 1y8b h TRP 169 Cb 0.21 -0.27 -0.01 0.00 -0.00 0.00 0.00 29.16 29.09 1y8b h TRP 169 CO 0.01 0.29 -0.21 0.28 -0.00 0.00 0.00 178.44 178.82 1y8b h VAL 170 N 0.71 0.85 0.00 1.49 2.07 -1.04 -1.86 116.25 118.48 1y8b h VAL 170 Ca 0.48 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1y8b h VAL 170 Cb 0.78 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1y8b h VAL 170 CO -0.24 0.20 -0.23 -0.09 0.02 0.00 0.00 177.57 177.23 1y8b h ARG 171 N 0.00 0.00 0.19 1.57 2.43 0.35 -3.10 114.38 115.82 1y8b h ARG 171 Ca -0.00 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.90 1y8b h ARG 171 Cb 0.46 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.03 1y8b h ARG 171 CO 0.03 0.17 -1.20 0.00 -1.51 0.00 0.00 179.97 177.45 1y8b h ARG 172 N 0.00 0.41 -0.46 0.20 3.08 -0.64 -3.34 114.38 113.64 1y8b h ARG 172 Ca -0.00 -0.70 -0.04 0.00 0.07 0.00 0.00 59.98 59.30 1y8b h ARG 172 Cb 1.13 0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1y8b h ARG 172 CO 0.02 1.34 0.12 0.74 -1.07 0.00 0.00 179.97 181.12 1y8b h PHE 173 N -0.11 0.77 -1.25 3.04 0.04 -1.54 -2.37 116.94 115.52 1y8b h PHE 173 Ca -0.22 -0.09 0.36 0.00 2.80 0.00 0.00 57.97 60.83 1y8b h PHE 173 Cb 1.91 -0.22 -0.08 0.00 2.20 0.00 0.00 35.95 39.76 1y8b h PHE 173 CO 0.16 0.70 0.85 -0.07 -0.60 0.00 0.00 178.31 179.35 1y8b h LEU 174 N 0.62 0.19 -1.04 1.54 -0.00 -1.65 1.10 115.31 116.07 1y8b h LEU 174 Ca 0.15 0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 58.01 1y8b h LEU 174 Cb 0.31 0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 1y8b h LEU 174 CO -0.00 -0.01 -0.07 -0.78 -0.00 0.00 0.00 178.44 177.58 1y8b h ASP 175 N 0.14 0.59 1.45 -0.43 3.58 -1.54 -0.74 116.42 119.47 1y8b h ASP 175 Ca 0.66 -0.14 -0.02 0.00 0.42 0.00 0.00 57.03 57.95 1y8b h ASP 175 Cb 2.24 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 43.13 1y8b h ASP 175 CO -0.18 0.70 -0.10 -0.08 -2.88 0.00 0.00 179.24 176.70 1y8b h GLU 176 N 0.57 0.00 0.18 0.28 4.81 0.12 -1.47 114.58 119.06 1y8b h GLU 176 Ca 0.11 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 59.03 1y8b h GLU 176 Cb 0.46 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.86 1y8b h GLU 176 CO 0.02 0.10 -1.50 0.66 -0.73 0.00 0.00 179.01 177.56 1y8b h SER 177 N 0.00 0.58 -2.07 1.04 4.64 -0.73 -3.34 113.55 113.68 1y8b h SER 177 Ca -0.00 -0.92 -0.57 0.00 -0.47 0.00 0.00 61.79 59.84 1y8b h SER 177 Cb 0.85 -0.19 -0.39 0.00 -0.31 0.00 0.00 62.40 62.35 1y8b h SER 177 CO 0.01 1.69 -1.03 0.18 -0.87 0.00 0.00 176.83 176.81 1y8b n LEU 178 N -3.77 0.61 -4.52 5.97 4.32 -0.36 -4.92 117.00 114.33 1y8b n LEU 178 Ca -0.22 -4.77 -0.34 0.00 -0.02 0.00 0.00 56.01 50.66 1y8b n LEU 178 Cb 1.00 0.45 -0.11 0.00 -1.62 0.00 0.00 43.42 43.14 1y8b n LEU 178 CO 0.50 2.05 2.04 -2.65 -1.22 0.00 0.00 177.39 178.11 1y8b n PRO 179 N 1.46 0.41 -1.54 3.23 -0.02 -0.56 -4.77 135.00 133.22 1y8b n PRO 179 Ca 0.23 -0.09 -0.50 0.00 -2.02 0.00 0.00 63.50 61.12 1y8b n PRO 179 Cb 0.51 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 1y8b n PRO 179 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1y8b n LEU 180 N 12.55 0.86 -0.32 2.45 4.77 -1.26 -4.73 117.00 131.32 1y8b n LEU 180 Ca 0.55 1.14 0.27 0.00 -0.03 0.00 0.00 56.01 57.95 1y8b n LEU 180 Cb 0.26 -1.13 0.51 0.00 -2.33 0.00 0.00 43.42 40.73 1y8b n LEU 180 CO 0.84 -1.67 0.98 1.21 -1.33 0.00 0.00 177.39 177.43 1y8b n GLU 181 N 1.54 -0.06 -3.73 3.23 2.13 0.19 -4.42 120.64 119.52 1y8b n GLU 181 Ca 0.16 1.38 -0.13 0.00 0.66 0.00 0.00 57.16 59.23 1y8b n GLU 181 Cb 0.22 -2.41 -0.10 0.00 0.27 0.00 0.00 31.44 29.43 1y8b n GLU 181 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1y8b s ASN 182 N -4.64 -0.39 0.00 4.31 3.84 -1.26 -5.07 114.94 111.73 1y8b s ASN 182 Ca -0.10 0.68 0.00 0.00 0.21 0.00 0.00 52.86 53.65 1y8b s ASN 182 Cb 0.32 0.73 0.00 0.00 -0.55 0.00 0.00 41.25 41.75 1y8b s ASN 182 CO 0.76 -0.21 0.00 0.61 -2.79 0.00 0.00 177.10 175.47 1y8b n GLY 183 N 2.50 0.98 3.89 1.21 0.00 -1.26 -4.81 105.19 107.70 1y8b n GLY 183 Ca -0.15 -1.97 -0.23 0.00 0.00 0.00 0.00 46.02 43.68 1y8b n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y8b s SER 184 N -0.40 5.94 0.20 1.61 1.04 -1.26 -4.60 113.70 116.23 1y8b s SER 184 Ca 0.00 -0.06 0.26 0.00 0.48 0.00 0.00 55.95 56.64 1y8b s SER 184 Cb 0.00 -1.65 0.84 0.00 0.10 0.00 0.00 66.02 65.31 1y8b s SER 184 CO 0.00 -0.03 1.78 0.00 0.98 0.00 0.00 173.24 175.98 1y8b n TYR 185 N -1.08 0.88 0.76 5.02 9.36 -1.26 -3.05 117.16 127.79 1y8b n TYR 185 Ca -0.08 0.26 0.12 0.00 3.32 0.00 0.00 57.90 61.52 1y8b n TYR 185 Cb 0.57 -0.92 0.50 0.00 -0.63 0.00 0.00 39.34 38.85 1y8b n TYR 185 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1y8b n GLN 186 N -2.22 0.09 0.03 2.98 6.02 -1.26 -2.80 117.38 120.22 1y8b n GLN 186 Ca 0.06 0.14 0.11 0.00 -0.01 0.00 0.00 57.00 57.30 1y8b n GLN 186 Cb 0.42 -1.62 0.01 0.00 1.02 0.00 0.00 30.24 30.06 1y8b n GLN 186 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1y8b n ASP 187 N -1.79 0.60 -4.57 1.08 8.00 -1.17 -4.90 116.55 113.81 1y8b n ASP 187 Ca 0.06 -0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.05 1y8b n ASP 187 Cb 0.33 0.86 0.20 0.00 -0.02 0.00 0.00 41.12 42.49 1y8b n ASP 187 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1y8b n VAL 188 N -1.99 0.00 0.00 2.53 0.31 -1.12 0.30 118.33 118.35 1y8b n VAL 188 Ca 0.02 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1y8b n VAL 188 Cb 0.45 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 1y8b n VAL 188 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1y8b n VAL 189 N -4.52 0.00 -3.67 2.52 0.24 -0.76 -4.60 118.33 107.54 1y8b n VAL 189 Ca 0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.31 1y8b n VAL 189 Cb 0.53 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.92 1y8b n VAL 189 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y8b n ALA 190 N -1.09 -1.55 -2.99 2.33 0.00 -1.26 -4.45 120.51 111.50 1y8b n ALA 190 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 53.44 52.30 1y8b n ALA 190 Cb 0.00 0.81 -0.05 0.00 0.00 0.00 0.00 19.45 20.21 1y8b n ALA 190 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1y8b s PHE 191 N -3.26 -0.19 0.10 0.00 0.40 -1.26 -3.20 117.98 110.56 1y8b s PHE 191 Ca 0.14 -0.11 -0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1y8b s PHE 191 Cb -0.04 0.25 -0.02 0.00 0.51 0.00 0.00 43.02 43.72 1y8b s PHE 191 CO 0.09 -0.69 0.13 0.15 0.70 0.00 0.00 175.22 175.60 1y8b s LYS 192 N -3.75 0.85 -0.49 0.44 1.02 -1.25 -4.72 119.74 111.84 1y8b s LYS 192 Ca 0.03 -1.14 -0.17 0.00 0.02 0.00 0.00 55.97 54.71 1y8b s LYS 192 Cb 0.02 0.30 0.07 0.00 -0.52 0.00 0.00 37.83 37.70 1y8b s LYS 192 CO -0.12 -0.25 0.51 0.08 -0.92 0.00 0.00 175.35 174.65 1y8b s VAL 193 N -3.92 5.06 0.10 3.17 1.01 -0.11 -1.84 120.40 123.87 1y8b s VAL 193 Ca 0.10 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.30 1y8b s VAL 193 Cb 0.06 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1y8b s VAL 193 CO -0.07 -0.71 0.04 -0.69 0.00 0.00 0.00 175.10 173.68 1y8b s VAL 194 N 2.10 4.24 -1.28 2.92 1.01 -0.45 -4.63 120.40 124.32 1y8b s VAL 194 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1y8b s VAL 194 Cb -0.22 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.10 1y8b s VAL 194 CO 0.09 0.08 0.04 -0.90 0.00 0.00 0.00 175.10 174.40 1y8b n ASP 195 N 0.38 0.00 0.04 3.32 5.68 -1.26 -1.91 116.55 122.80 1y8b n ASP 195 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.19 1y8b n ASP 195 Cb 0.52 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 1y8b n ASP 195 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1y8b n LYS 196 N -0.38 0.00 0.00 0.11 3.00 -1.26 -5.16 118.16 114.47 1y8b n LYS 196 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1y8b n LYS 196 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 35.03 34.73 1y8b n LYS 196 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1y8b n GLN 197 N -3.15 0.00 -2.76 1.64 0.00 -0.80 -4.99 117.38 107.32 1y8b n GLN 197 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.59 1y8b n GLN 197 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.34 1y8b n GLN 197 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1y8b s LEU 198 N 0.00 4.54 -1.00 1.69 2.96 -1.26 -1.34 118.68 124.28 1y8b s LEU 198 Ca 0.00 1.81 -0.16 0.00 -0.22 0.00 0.00 54.13 55.57 1y8b s LEU 198 Cb 0.00 -3.57 0.17 0.00 0.50 0.00 0.00 46.19 43.30 1y8b s LEU 198 CO 0.00 0.01 1.13 -0.60 -1.32 0.00 0.00 176.35 175.57 1y8b s ARG 199 N -0.36 3.78 -0.52 1.98 3.52 -0.77 -4.83 118.95 121.76 1y8b s ARG 199 Ca 0.45 -2.25 -0.28 0.00 -0.13 0.00 0.00 55.73 53.52 1y8b s ARG 199 Cb -0.24 -4.82 0.01 0.00 -1.56 0.00 0.00 34.95 28.34 1y8b s ARG 199 CO 0.30 -1.62 1.45 0.42 -0.81 0.00 0.00 175.30 175.03 1y8b s ILE 200 N 1.52 3.79 -0.12 4.11 1.09 -1.24 -3.74 121.20 126.61 1y8b s ILE 200 Ca 0.32 0.71 -0.17 0.00 -1.10 0.00 0.00 60.65 60.41 1y8b s ILE 200 Cb -0.06 -4.32 -0.04 0.00 -1.06 0.00 0.00 42.46 36.97 1y8b s ILE 200 CO -0.07 -1.02 0.43 -1.58 -0.10 0.00 0.00 174.94 172.60 1y8b s GLN 201 N 5.43 4.28 0.38 2.79 0.74 -1.19 -2.61 119.66 129.48 1y8b s GLN 201 Ca 0.56 0.36 0.02 0.00 0.05 0.00 0.00 55.36 56.36 1y8b s GLN 201 Cb -0.12 -3.41 -0.01 0.00 1.10 0.00 0.00 33.01 30.56 1y8b s GLN 201 CO 0.27 0.23 0.57 -0.51 -0.55 0.00 0.00 175.29 175.30 1y8b s LEU 202 N 0.42 3.86 0.01 3.68 1.43 -0.81 -1.83 118.68 125.44 1y8b s LEU 202 Ca 0.23 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 1y8b s LEU 202 Cb -0.15 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.02 1y8b s LEU 202 CO 0.09 -0.50 0.75 0.29 0.23 0.00 0.00 176.35 177.22 1y8b n LYS 203 N -1.86 0.00 -0.27 1.70 5.02 0.87 0.18 118.16 123.81 1y8b n LYS 203 Ca -0.01 0.25 0.07 0.00 -2.02 0.00 0.00 58.31 56.60 1y8b n LYS 203 Cb 0.57 -1.78 0.21 0.00 -0.02 0.00 0.00 35.03 34.01 1y8b n LYS 203 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y8b n ASN 204 N -1.27 3.36 -1.27 4.39 3.02 -1.26 -4.93 115.26 117.29 1y8b n ASN 204 Ca -0.00 -2.13 -0.12 0.00 -0.03 0.00 0.00 54.58 52.30 1y8b n ASN 204 Cb 0.27 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.09 1y8b n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y8b n GLY 205 N 0.68 0.26 3.83 7.41 0.00 0.48 -4.99 105.19 112.85 1y8b n GLY 205 Ca 0.16 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1y8b n GLY 205 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y8b s LYS 206 N -4.18 4.05 -0.26 1.61 2.36 -1.25 -4.78 119.74 117.29 1y8b s LYS 206 Ca 0.00 0.57 -0.12 0.00 -2.55 0.00 0.00 55.97 53.87 1y8b s LYS 206 Cb 0.00 -3.20 -0.05 0.00 -1.05 0.00 0.00 37.83 33.53 1y8b s LYS 206 CO 0.00 0.65 0.23 -1.83 1.55 0.00 0.00 175.35 175.95 1y8b s GLU 207 N -1.17 4.02 0.36 4.03 1.03 -1.26 -1.92 118.70 123.79 1y8b s GLU 207 Ca 0.27 -0.20 0.04 0.00 0.03 0.00 0.00 54.97 55.11 1y8b s GLU 207 Cb -0.18 -3.61 -0.04 0.00 -0.80 0.00 0.00 34.13 29.50 1y8b s GLU 207 CO 0.17 -0.11 0.12 -0.08 -1.33 0.00 0.00 175.26 174.02 1y8b s THR 208 N 1.55 0.68 0.26 1.83 -1.32 -1.07 -5.02 115.64 112.55 1y8b s THR 208 Ca 0.10 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.62 1y8b s THR 208 Cb -0.15 -2.49 -0.06 0.00 -1.51 0.00 0.00 72.50 68.29 1y8b s THR 208 CO 0.08 0.00 -0.02 0.42 -2.21 0.00 0.00 174.62 172.89 1y8b s THR 209 N -3.33 1.31 -0.09 5.08 -4.23 -1.26 -3.70 115.64 109.42 1y8b s THR 209 Ca 0.30 -2.07 -0.05 0.00 -1.18 0.00 0.00 61.69 58.69 1y8b s THR 209 Cb 0.05 -2.42 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1y8b s THR 209 CO 0.15 -0.29 0.18 -0.07 -0.54 0.00 0.00 174.62 174.05 1y8b h LEU 210 N 2.36 -0.11 0.00 4.79 3.38 -1.92 -1.13 115.31 122.69 1y8b h LEU 210 Ca -0.39 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1y8b h LEU 210 Cb 1.23 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1y8b h LEU 210 CO 0.66 0.40 0.00 -2.11 0.09 0.00 0.00 178.44 177.48 1y8b n ARG 211 N -4.86 0.00 -3.80 1.13 1.85 -1.26 0.54 116.66 110.26 1y8b n ARG 211 Ca -0.02 0.00 -0.12 0.00 -1.00 0.00 0.00 57.85 56.71 1y8b n ARG 211 Cb 0.07 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.38 1y8b n ARG 211 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1y8b s THR 212 N -2.00 0.05 0.33 8.89 -4.23 -1.26 -5.04 115.64 112.37 1y8b s THR 212 Ca 0.00 -0.40 0.09 0.00 -1.18 0.00 0.00 61.69 60.20 1y8b s THR 212 Cb 0.00 -0.48 0.37 0.00 1.34 0.00 0.00 72.50 73.73 1y8b s THR 212 CO 0.00 -0.22 1.60 -0.65 -0.54 0.00 0.00 174.62 174.81 1y8b h PRO 213 N 4.57 0.07 -0.96 3.99 0.11 -1.94 0.15 132.00 138.00 1y8b h PRO 213 Ca -0.29 -0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.10 1y8b h PRO 213 Cb 1.19 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 1y8b h PRO 213 CO 0.38 0.05 0.47 0.00 -0.21 0.00 0.00 178.00 178.69 1y8b h ALA 214 N 1.93 1.72 -0.49 -0.75 0.00 -1.96 1.24 119.26 120.95 1y8b h ALA 214 Ca 0.68 0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.92 1y8b h ALA 214 Cb 1.55 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 1y8b h ALA 214 CO -0.79 -0.50 0.45 0.37 0.00 0.00 0.00 179.25 178.78 1y8b h GLN 215 N 0.32 0.00 -4.74 0.00 5.75 -0.89 -3.35 115.11 112.21 1y8b h GLN 215 Ca 0.67 0.00 -0.70 0.00 -0.15 0.00 0.00 58.65 58.46 1y8b h GLN 215 Cb 1.44 0.00 -0.19 0.00 1.07 0.00 0.00 27.48 29.79 1y8b h GLN 215 CO -0.60 0.00 -0.30 0.12 -2.65 0.00 0.00 178.83 175.40 1y8b s PHE 216 N -4.74 3.20 0.00 3.99 5.36 0.43 -1.53 117.98 124.68 1y8b s PHE 216 Ca -0.05 -0.43 0.00 0.00 -0.96 0.00 0.00 56.93 55.50 1y8b s PHE 216 Cb 0.17 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 40.09 1y8b s PHE 216 CO 0.61 -0.64 0.00 0.28 -1.46 0.00 0.00 175.22 174.01 1y8b n VAL 217 N 5.32 0.00 -2.99 3.12 0.31 -1.01 -4.89 118.33 118.18 1y8b n VAL 217 Ca -0.09 0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1y8b n VAL 217 Cb 0.47 -0.75 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1y8b n VAL 217 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y8b n GLY 218 N 2.29 5.07 3.89 2.92 0.00 -1.24 -2.08 105.19 116.04 1y8b n GLY 218 Ca 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 1y8b n GLY 218 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y8b s TYR 219 N -1.10 0.06 0.05 1.61 1.13 -1.10 -1.77 117.35 116.23 1y8b s TYR 219 Ca 0.00 -0.42 0.01 0.00 -1.41 0.00 0.00 57.07 55.25 1y8b s TYR 219 Cb 0.00 0.68 -0.03 0.00 -1.10 0.00 0.00 41.96 41.51 1y8b s TYR 219 CO 0.00 -0.83 -0.05 0.50 -2.51 0.00 0.00 175.55 172.65 1y8b s ARG 220 N -2.16 0.55 0.76 -3.49 3.52 -0.50 -2.91 118.95 114.72 1y8b s ARG 220 Ca 0.23 -0.94 0.00 0.00 -0.13 0.00 0.00 55.73 54.89 1y8b s ARG 220 Cb -0.02 -0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 1y8b s ARG 220 CO 0.04 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.92 1y8b n GLY 221 N 0.90 -1.77 3.79 8.12 0.00 -1.26 -2.23 105.19 112.75 1y8b n GLY 221 Ca -0.19 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 43.73 1y8b n GLY 221 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y8b s ASP 222 N -4.00 7.27 0.56 1.61 1.01 -1.17 -4.83 116.67 117.12 1y8b s ASP 222 Ca 0.00 1.66 0.27 0.00 0.71 0.00 0.00 52.55 55.19 1y8b s ASP 222 Cb 0.00 -2.51 1.47 0.00 1.01 0.00 0.00 42.92 42.89 1y8b s ASP 222 CO 0.00 0.03 2.00 0.00 0.21 0.00 0.00 175.17 177.42 1y8b h ALA 223 N 3.54 2.27 -0.50 5.23 0.00 -1.90 0.65 119.26 128.55 1y8b h ALA 223 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1y8b h ALA 223 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1y8b h ALA 223 CO 0.65 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1y8b n ALA 224 N -2.51 2.42 -2.72 0.00 0.00 -1.26 -0.93 120.51 115.51 1y8b n ALA 224 Ca 0.07 -0.97 -0.08 0.00 0.00 0.00 0.00 53.44 52.47 1y8b n ALA 224 Cb 0.55 -0.95 0.09 0.00 0.00 0.00 0.00 19.45 19.13 1y8b n ALA 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y8b n ALA 225 N 1.18 -1.27 -2.07 0.00 0.00 0.21 -4.97 120.51 113.59 1y8b n ALA 225 Ca 0.19 -1.27 -0.43 0.00 0.00 0.00 0.00 53.44 51.94 1y8b n ALA 225 Cb 0.50 -1.52 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 1y8b n ALA 225 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1y8b s PRO 226 N 0.27 3.36 0.00 0.00 0.04 -0.40 -3.03 135.00 135.25 1y8b s PRO 226 Ca 0.23 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.57 1y8b s PRO 226 Cb 0.28 -4.17 0.00 0.00 0.04 0.00 0.00 34.50 30.65 1y8b s PRO 226 CO -0.09 -1.82 0.87 -2.37 0.04 0.00 0.00 177.00 173.62 1y8b n THR 227 N 7.34 0.00 -3.65 1.26 5.66 -0.95 -4.72 114.28 119.23 1y8b n THR 227 Ca 0.21 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.19 1y8b n THR 227 Cb 0.47 -0.11 -0.07 0.00 -1.55 0.00 0.00 70.33 69.08 1y8b n THR 227 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y8b s ILE 229 N 0.55 1.29 -0.09 0.00 -4.36 -1.17 -1.41 121.20 116.01 1y8b s ILE 229 Ca -0.00 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 1y8b s ILE 229 Cb -0.04 -1.11 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 1y8b s ILE 229 CO -0.12 0.23 -0.08 -0.22 0.24 0.00 0.00 174.94 174.99 1y8b s LEU 230 N -0.74 3.10 0.05 0.37 2.96 -0.73 -2.34 118.68 121.34 1y8b s LEU 230 Ca 0.05 -0.09 0.01 0.00 -0.22 0.00 0.00 54.13 53.89 1y8b s LEU 230 Cb -0.07 -1.68 -0.03 0.00 0.50 0.00 0.00 46.19 44.91 1y8b s LEU 230 CO 0.00 0.31 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.53 1y8b s LEU 231 N -0.49 2.33 -0.02 -0.68 1.43 0.25 -2.41 118.68 119.08 1y8b s LEU 231 Ca 0.07 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1y8b s LEU 231 Cb -0.12 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.07 1y8b s LEU 231 CO 0.02 -0.33 -0.09 -0.75 0.23 0.00 0.00 176.35 175.43 1y8b s LYS 232 N -2.25 0.95 -0.06 1.70 2.20 -0.58 0.97 119.74 122.66 1y8b s LYS 232 Ca -0.06 -0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 54.94 1y8b s LYS 232 Cb -0.05 -0.89 0.10 0.00 -1.51 0.00 0.00 37.83 35.48 1y8b s LYS 232 CO -0.02 0.14 0.84 1.21 -0.36 0.00 0.00 175.35 177.16 1y8b s ASN 233 N 0.10 -0.47 -1.04 1.43 2.47 -0.65 -4.36 114.94 112.41 1y8b s ASN 233 Ca -0.02 0.37 0.00 0.00 0.42 0.00 0.00 52.86 53.64 1y8b s ASN 233 Cb -0.08 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.14 1y8b s ASN 233 CO 0.00 -0.54 0.00 0.59 -3.72 0.00 0.00 177.10 173.43 1y8b n ASN 234 N 0.47 -4.02 0.00 -4.21 5.03 -1.26 -0.04 115.26 111.23 1y8b n ASN 234 Ca -0.13 0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.56 1y8b n ASN 234 Cb 0.59 -3.26 0.00 0.00 -1.02 0.00 0.00 39.78 36.09 1y8b n ASN 234 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y8b n GLY 235 N 0.06 2.79 3.86 7.41 0.00 -1.26 -4.85 105.19 113.19 1y8b n GLY 235 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1y8b n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y8b s LEU 236 N 0.00 4.35 0.13 0.99 1.43 0.94 -4.01 118.68 122.52 1y8b s LEU 236 Ca 0.00 0.92 -0.16 0.00 -1.03 0.00 0.00 54.13 53.86 1y8b s LEU 236 Cb 0.00 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 43.08 1y8b s LEU 236 CO 0.00 0.15 0.56 -1.00 0.23 0.00 0.00 176.35 176.30 1y8b s HIS 237 N -1.40 3.65 -0.06 0.29 3.76 -1.26 -1.64 115.29 118.62 1y8b s HIS 237 Ca 0.34 1.12 0.02 0.00 -0.15 0.00 0.00 55.06 56.39 1y8b s HIS 237 Cb -0.15 -2.41 0.02 0.00 1.11 0.00 0.00 32.58 31.15 1y8b s HIS 237 CO 0.18 0.46 -0.10 0.42 -0.85 0.00 0.00 174.74 174.85 1y8b s ILE 238 N -1.39 0.98 -0.05 0.60 -1.09 0.27 -3.67 121.20 116.86 1y8b s ILE 238 Ca 0.36 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.41 1y8b s ILE 238 Cb -0.16 -0.92 0.02 0.00 -1.58 0.00 0.00 42.46 39.81 1y8b s ILE 238 CO 0.19 0.32 -0.07 -0.70 -1.23 0.00 0.00 174.94 173.45 1y8b s GLU 239 N 0.79 1.14 -0.11 2.79 -6.30 0.12 0.86 118.70 117.99 1y8b s GLU 239 Ca -0.13 -0.21 -0.09 0.00 -2.50 0.00 0.00 54.97 52.04 1y8b s GLU 239 Cb -0.15 -1.04 -0.04 0.00 0.00 0.00 0.00 34.13 32.89 1y8b s GLU 239 CO 0.02 -0.05 0.20 -0.51 0.02 0.00 0.00 175.26 174.94 1y8b s LEU 240 N 0.84 4.38 -0.19 2.70 1.43 -0.99 -0.09 118.68 126.76 1y8b s LEU 240 Ca -0.12 0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.47 1y8b s LEU 240 Cb -0.15 -2.19 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1y8b s LEU 240 CO 0.01 0.36 -0.01 -1.58 0.23 0.00 0.00 176.35 175.36 1y8b s GLN 241 N -0.83 3.65 -0.07 1.70 0.74 -1.03 -3.07 119.66 120.76 1y8b s GLN 241 Ca 0.16 -0.51 0.02 0.00 0.05 0.00 0.00 55.36 55.08 1y8b s GLN 241 Cb -0.13 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 30.91 1y8b s GLN 241 CO 0.05 0.09 -0.11 0.42 -0.55 0.00 0.00 175.29 175.19 1y8b s ILE 242 N 0.79 3.34 0.61 -2.34 1.09 -1.22 -2.20 121.20 121.27 1y8b s ILE 242 Ca 0.00 -0.61 -0.08 0.00 -1.10 0.00 0.00 60.65 58.86 1y8b s ILE 242 Cb -0.14 -2.35 -0.01 0.00 -1.06 0.00 0.00 42.46 38.91 1y8b s ILE 242 CO 0.02 0.58 0.95 -0.62 -0.10 0.00 0.00 174.94 175.77 1y8b s ASP 243 N -0.61 5.77 0.00 3.58 2.15 -1.26 -4.80 116.67 121.49 1y8b s ASP 243 Ca 0.09 0.96 0.27 0.00 0.43 0.00 0.00 52.55 54.30 1y8b s ASP 243 Cb -0.11 -1.97 0.84 0.00 -0.30 0.00 0.00 42.92 41.38 1y8b s ASP 243 CO 0.01 -1.02 1.64 0.00 -0.17 0.00 0.00 175.17 175.63 1y8b n ALA 244 N -2.66 3.05 0.00 3.66 0.00 -1.26 -4.34 120.51 118.96 1y8b n ALA 244 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.21 1y8b n ALA 244 Cb 0.56 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1y8b n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y8b n ASN 245 N -1.34 2.26 -0.51 0.00 3.02 -1.26 -5.08 115.26 112.35 1y8b n ASN 245 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1y8b n ASN 245 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1y8b n ASN 245 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y8b n GLY 246 N 2.76 0.80 0.41 7.41 0.00 -1.26 -4.89 105.19 110.40 1y8b n GLY 246 Ca 0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 1y8b n GLY 246 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1y8b h ARG 247 N 0.00 -0.54 0.00 1.61 -0.00 -1.95 0.42 114.38 113.92 1y8b h ARG 247 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1y8b h ARG 247 Cb 0.37 0.12 0.00 0.00 0.00 0.00 0.00 29.97 30.47 1y8b h ARG 247 CO 0.00 -0.36 0.00 0.82 0.00 0.00 0.00 179.97 180.43 1y8b h ILE 248 N -0.56 0.00 -0.28 2.04 1.08 -1.94 -2.84 117.51 115.02 1y8b h ILE 248 Ca 0.05 -0.17 0.08 0.00 -0.39 0.00 0.00 64.86 64.43 1y8b h ILE 248 Cb 0.65 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 1y8b h ILE 248 CO -0.33 0.00 0.76 1.23 -0.69 0.00 0.00 178.15 179.12 1y8b h GLY 249 N 1.09 0.00 2.00 5.37 0.00 -0.35 1.06 103.07 112.24 1y8b h GLY 249 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1y8b h GLY 249 CO 0.00 0.00 -0.09 0.50 0.00 0.00 0.00 176.54 176.95 1y8b h LYS 250 N 0.00 0.00 0.00 4.80 1.57 -1.61 -3.13 116.57 118.20 1y8b h LYS 250 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1y8b h LYS 250 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.96 1y8b h LYS 250 CO -0.00 0.09 0.00 -0.25 -0.57 0.00 0.00 179.45 178.72 1y8b n ASP 251 N -4.24 0.30 -4.36 0.86 8.00 0.32 -4.98 116.55 112.44 1y8b n ASP 251 Ca -0.03 -0.64 -0.40 0.00 0.71 0.00 0.00 54.79 54.43 1y8b n ASP 251 Cb 0.17 0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 1y8b n ASP 251 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1y8b s ASP 252 N -0.32 5.71 0.00 -2.24 -1.08 0.14 -4.94 116.67 113.94 1y8b s ASP 252 Ca 0.00 -1.04 0.28 0.00 -0.52 0.00 0.00 52.55 51.27 1y8b s ASP 252 Cb 0.00 -2.01 1.21 0.00 -1.46 0.00 0.00 42.92 40.66 1y8b s ASP 252 CO 0.00 -0.39 1.90 -0.81 0.52 0.00 0.00 175.17 176.39 1y8b n PRO 253 N 4.98 0.02 0.00 4.34 -0.04 -1.26 -3.07 135.00 139.97 1y8b n PRO 253 Ca -0.12 0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.48 1y8b n PRO 253 Cb 0.46 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.65 1y8b n PRO 253 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y8b n ALA 254 N -1.49 3.54 0.00 0.55 0.00 -1.26 -4.91 120.51 116.94 1y8b n ALA 254 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1y8b n ALA 254 Cb 0.32 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1y8b n ALA 254 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1y8b n HIS 255 N -1.13 0.00 -1.71 0.00 -0.00 -1.17 -4.51 115.22 106.69 1y8b n HIS 255 Ca 0.08 0.00 -0.59 0.00 0.46 0.00 0.00 57.72 57.67 1y8b n HIS 255 Cb 0.35 -0.12 -0.08 0.00 -0.12 0.00 0.00 29.99 30.02 1y8b n HIS 255 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 1y8b n ILE 256 N -1.10 0.25 0.02 3.57 5.41 -1.26 -4.60 119.36 121.66 1y8b n ILE 256 Ca 0.00 -0.05 -0.11 0.00 1.00 0.00 0.00 62.75 63.59 1y8b n ILE 256 Cb 0.00 -1.11 -0.14 0.00 -0.71 0.00 0.00 39.64 37.69 1y8b n ILE 256 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 176.55 175.42 1y8b h ASN 257 N 6.80 0.13 -5.46 4.38 -1.24 -1.86 -3.47 115.58 114.86 1y8b h ASN 257 Ca -0.46 -0.21 0.19 0.00 0.71 0.00 0.00 56.30 56.53 1y8b h ASN 257 Cb 1.33 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 40.28 1y8b h ASN 257 CO 0.95 1.18 0.61 -1.81 -1.29 0.00 0.00 177.43 177.08 1y8b s ASP 258 N -6.54 -0.03 -0.12 1.15 1.01 -0.93 -4.98 116.67 106.22 1y8b s ASP 258 Ca -0.06 -0.56 -0.01 0.00 0.71 0.00 0.00 52.55 52.64 1y8b s ASP 258 Cb 0.08 0.45 0.03 0.00 1.01 0.00 0.00 42.92 44.49 1y8b s ASP 258 CO 0.83 -0.87 -0.03 -0.69 0.21 0.00 0.00 175.17 174.62 1y8b s VAL 259 N -2.36 0.74 -0.32 -1.27 1.01 -1.26 -2.47 120.40 114.47 1y8b s VAL 259 Ca 0.20 -0.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1y8b s VAL 259 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1y8b s VAL 259 CO 0.04 0.19 0.19 -0.63 0.00 0.00 0.00 175.10 174.89 1y8b s ILE 260 N 1.81 4.93 0.03 2.22 -1.09 0.87 -0.21 121.20 129.76 1y8b s ILE 260 Ca 0.03 -0.27 0.03 0.00 -2.23 0.00 0.00 60.65 58.21 1y8b s ILE 260 Cb -0.14 -3.50 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1y8b s ILE 260 CO -0.07 0.07 -0.10 0.68 -1.23 0.00 0.00 174.94 174.29 1y8b s VAL 261 N 1.67 0.73 0.19 2.92 -7.23 -1.22 -0.71 120.40 116.75 1y8b s VAL 261 Ca 0.05 -0.89 -0.31 0.00 -1.81 0.00 0.00 61.98 59.03 1y8b s VAL 261 Cb -0.17 -0.71 -0.10 0.00 0.56 0.00 0.00 36.38 35.97 1y8b s VAL 261 CO 0.08 -0.14 1.49 -1.61 -0.31 0.00 0.00 175.10 174.60 1y8b s GLU 262 N -1.14 4.26 -0.05 4.82 0.41 -1.24 -4.32 118.70 121.44 1y8b s GLU 262 Ca -0.03 2.28 -0.08 0.00 -0.41 0.00 0.00 54.97 56.73 1y8b s GLU 262 Cb -0.08 -3.16 -0.03 0.00 -1.78 0.00 0.00 34.13 29.09 1y8b s GLU 262 CO 0.01 -0.50 -0.16 0.00 -0.49 0.00 0.00 175.26 174.11 1y8b n ALA 263 N 3.36 1.72 -3.41 5.21 0.00 -1.16 -4.80 120.51 121.43 1y8b n ALA 263 Ca 0.11 -0.40 -0.44 0.00 0.00 0.00 0.00 53.44 52.70 1y8b n ALA 263 Cb 0.40 0.10 -0.05 0.00 0.00 0.00 0.00 19.45 19.90 1y8b n ALA 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y8b s ALA 264 N -2.52 3.79 0.11 0.00 0.00 -1.25 -3.57 121.76 118.33 1y8b s ALA 264 Ca -0.13 -2.99 0.18 0.00 0.00 0.00 0.00 51.96 49.02 1y8b s ALA 264 Cb 0.02 -3.22 0.55 0.00 0.00 0.00 0.00 23.12 20.46 1y8b s ALA 264 CO 0.20 -2.13 1.67 0.97 0.00 0.00 0.00 175.76 176.47 1y8b h ILE 265 N 5.35 0.90 -3.84 0.00 6.09 -1.69 -3.39 117.51 120.94 1y8b h ILE 265 Ca -0.07 -1.69 -0.20 0.00 -1.37 0.00 0.00 64.86 61.54 1y8b h ILE 265 Cb 1.05 2.04 -0.24 0.00 0.47 0.00 0.00 36.82 40.13 1y8b h ILE 265 CO 0.84 0.41 -0.70 -0.44 -3.07 0.00 0.00 178.15 175.19 1y8b s SER 266 N -6.45 0.12 0.00 2.19 0.01 -1.26 -3.57 113.70 104.74 1y8b s SER 266 Ca 0.01 -0.25 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1y8b s SER 266 Cb 0.10 0.07 -0.00 0.00 0.21 0.00 0.00 66.02 66.39 1y8b s SER 266 CO 0.70 -0.16 0.08 -0.89 0.41 0.00 0.00 173.24 173.38 1y8b s THR 267 N -0.76 0.08 -0.04 1.44 2.01 0.85 -1.99 115.64 117.22 1y8b s THR 267 Ca -0.08 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.30 1y8b s THR 267 Cb -0.05 -0.34 -0.02 0.00 0.01 0.00 0.00 72.50 72.09 1y8b s THR 267 CO -0.00 -0.36 -0.17 0.27 -0.69 0.00 0.00 174.62 173.66 1y8b s ILE 268 N -1.21 2.79 -0.01 1.82 -4.36 -1.11 0.30 121.20 119.41 1y8b s ILE 268 Ca -0.13 -0.83 -0.19 0.00 -0.26 0.00 0.00 60.65 59.24 1y8b s ILE 268 Cb -0.07 -2.07 -0.05 0.00 1.25 0.00 0.00 42.46 41.52 1y8b s ILE 268 CO 0.01 0.59 0.56 -0.76 0.24 0.00 0.00 174.94 175.57 1y8b s LEU 269 N -0.66 4.41 -0.01 0.37 1.43 0.15 -3.11 118.68 121.26 1y8b s LEU 269 Ca 0.10 1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 54.29 1y8b s LEU 269 Cb -0.11 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1y8b s LEU 269 CO 0.00 0.13 0.02 -0.67 0.23 0.00 0.00 176.35 176.06 1y8b n ASP 270 N 2.68 -2.94 -4.31 2.29 -0.08 -1.19 -3.08 116.55 109.93 1y8b n ASP 270 Ca -0.08 0.37 -0.43 0.00 -1.51 0.00 0.00 54.79 53.14 1y8b n ASP 270 Cb 0.51 -1.94 0.00 0.00 2.34 0.00 0.00 41.12 42.03 1y8b n ASP 270 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1y8b n GLU 272 N 5.88 0.00 0.07 0.00 1.02 -1.26 -0.74 120.64 125.60 1y8b n GLU 272 Ca 0.41 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1y8b n GLU 272 Cb 0.42 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.75 1y8b n GLU 272 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1y8b h ASP 273 N 0.00 -0.17 0.00 1.62 3.32 -1.91 -3.44 116.42 115.84 1y8b h ASP 273 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1y8b h ASP 273 Cb 0.00 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1y8b h ASP 273 CO 0.00 0.24 0.00 -0.24 -1.72 0.00 0.00 179.24 177.52 1y8b n SER 274 N -5.00 0.00 -4.87 6.45 2.88 0.08 -4.22 113.62 108.94 1y8b n SER 274 Ca -0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.09 1y8b n SER 274 Cb 0.24 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.64 1y8b n SER 274 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1y8b s VAL 275 N 0.00 5.27 1.03 2.46 1.01 -1.26 -4.91 120.40 123.99 1y8b s VAL 275 Ca 0.00 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.22 1y8b s VAL 275 Cb 0.00 -3.57 0.20 0.00 0.00 0.00 0.00 36.38 33.02 1y8b s VAL 275 CO 0.00 0.47 1.09 0.00 0.00 0.00 0.00 175.10 176.66 1y8b s ALA 276 N -1.19 0.77 0.62 5.51 0.00 -1.26 -4.94 121.76 121.26 1y8b s ALA 276 Ca 0.24 -0.39 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 1y8b s ALA 276 Cb -0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1y8b s ALA 276 CO 0.13 -2.99 0.96 0.00 0.00 0.00 0.00 175.76 173.86 1y8b n ALA 277 N -4.28 0.14 -3.16 0.00 0.00 -1.26 -4.97 120.51 106.99 1y8b n ALA 277 Ca 0.05 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.51 1y8b n ALA 277 Cb 0.57 -2.11 -0.00 0.00 0.00 0.00 0.00 19.45 17.91 1y8b n ALA 277 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1y8b s VAL 278 N -1.53 -0.99 1.13 0.00 1.01 -1.26 -4.96 120.40 113.79 1y8b s VAL 278 Ca 0.77 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 1y8b s VAL 278 Cb -0.41 -0.89 0.16 0.00 0.00 0.00 0.00 36.38 35.24 1y8b s VAL 278 CO 0.46 0.00 0.36 -0.67 0.00 0.00 0.00 175.10 175.25 1y8b n ASP 279 N 5.31 -2.13 -0.16 3.32 2.03 -1.26 -4.12 116.55 119.55 1y8b n ASP 279 Ca 0.06 -0.10 0.29 0.00 0.52 0.00 0.00 54.79 55.55 1y8b n ASP 279 Cb 0.54 -1.07 0.71 0.00 -0.72 0.00 0.00 41.12 40.58 1y8b n ASP 279 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1y8b h ALA 280 N -2.23 2.76 -0.28 -1.67 0.00 -1.88 -1.44 119.26 114.50 1y8b h ALA 280 Ca -0.56 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1y8b h ALA 280 Cb 1.35 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 19.14 1y8b h ALA 280 CO 0.41 -1.21 -0.42 1.05 0.00 0.00 0.00 179.25 179.08 1y8b h GLU 281 N 0.00 -0.31 0.14 0.00 4.11 -2.01 -2.64 114.58 113.87 1y8b h GLU 281 Ca 0.42 0.02 -0.34 0.00 0.07 0.00 0.00 59.36 59.54 1y8b h GLU 281 Cb 1.93 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 31.24 1y8b h GLU 281 CO -0.00 -0.20 -1.73 -0.44 0.07 0.00 0.00 179.01 176.71 1y8b h ASP 282 N -0.32 0.46 0.00 3.06 3.32 -1.75 -3.32 116.42 117.88 1y8b h ASP 282 Ca 0.05 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.36 1y8b h ASP 282 Cb 0.46 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1y8b h ASP 282 CO -0.44 1.64 0.05 1.17 -1.72 0.00 0.00 179.24 179.94 1y8b n LYS 283 N -3.49 0.00 -0.09 3.56 4.81 -0.58 -1.53 118.16 120.83 1y8b n LYS 283 Ca -0.23 0.06 -0.13 0.00 -0.87 0.00 0.00 58.31 57.14 1y8b n LYS 283 Cb 1.06 -1.55 -0.04 0.00 0.02 0.00 0.00 35.03 34.52 1y8b n LYS 283 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1y8b h ILE 284 N 0.00 1.30 0.00 3.15 1.08 -1.58 -1.24 117.51 120.22 1y8b h ILE 284 Ca 0.00 -1.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.03 1y8b h ILE 284 Cb 0.10 1.58 -0.00 0.00 -3.07 0.00 0.00 36.82 35.42 1y8b h ILE 284 CO 0.00 0.46 -0.05 0.17 -0.69 0.00 0.00 178.15 178.03 1y8b h LEU 285 N 0.43 0.00 0.02 1.44 8.10 -1.58 -3.09 115.31 120.63 1y8b h LEU 285 Ca 0.05 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.00 1y8b h LEU 285 Cb 0.83 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.06 1y8b h LEU 285 CO 0.07 0.05 -0.15 0.25 -4.11 0.00 0.00 178.44 174.55 1y8b h LEU 286 N 0.00 0.10 -1.45 0.17 6.46 -1.61 -3.29 115.31 115.70 1y8b h LEU 286 Ca -0.00 -0.91 -0.01 0.00 -0.12 0.00 0.00 57.88 56.84 1y8b h LEU 286 Cb 1.02 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.89 1y8b h LEU 286 CO 0.01 1.00 0.23 1.88 -0.62 0.00 0.00 178.44 180.94 1y8b h TYR 287 N -0.78 0.59 -0.98 1.25 0.05 -1.32 -1.40 116.97 114.38 1y8b h TYR 287 Ca -0.02 -0.01 0.20 0.00 0.05 0.00 0.00 58.73 58.95 1y8b h TYR 287 Cb 1.04 -0.19 -0.09 0.00 1.01 0.00 0.00 36.73 38.50 1y8b h TYR 287 CO 0.23 0.42 0.62 -0.09 -1.05 0.00 0.00 178.16 178.29 1y8b h ARG 288 N 0.61 0.60 0.00 4.88 2.43 -1.60 0.62 114.38 121.92 1y8b h ARG 288 Ca 0.16 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.14 1y8b h ARG 288 Cb 0.03 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 1y8b h ARG 288 CO -0.02 0.40 -0.70 -0.91 -1.51 0.00 0.00 179.97 177.22 1y8b h ASN 289 N 0.62 0.00 0.12 -3.80 2.35 -1.36 -3.26 115.58 110.26 1y8b h ASN 289 Ca 0.55 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.29 1y8b h ASN 289 Cb 1.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.41 1y8b h ASN 289 CO -0.31 0.70 -0.06 0.25 -1.65 0.00 0.00 177.43 176.37 1y8b h LEU 290 N 0.00 -0.14 -0.75 1.61 7.12 0.52 -0.93 115.31 122.74 1y8b h LEU 290 Ca -0.01 -0.09 0.01 0.00 0.13 0.00 0.00 57.88 57.92 1y8b h LEU 290 Cb 1.40 0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 41.57 1y8b h LEU 290 CO 0.09 0.00 0.76 -0.07 -0.13 0.00 0.00 178.44 179.09 1y8b h LEU 291 N -0.27 0.00 -0.83 2.25 -0.00 -1.32 -1.53 115.31 113.61 1y8b h LEU 291 Ca -0.02 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 1y8b h LEU 291 Cb 0.22 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 40.73 1y8b h LEU 291 CO 0.03 0.00 -0.09 1.23 -0.00 0.00 0.00 178.44 179.61 1y8b h GLY 292 N 0.00 0.79 1.76 0.83 0.00 -1.30 0.67 103.07 105.82 1y8b h GLY 292 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1y8b h GLY 292 CO -0.00 -0.34 -0.19 0.17 0.00 0.00 0.00 176.54 176.18 1y8b h LEU 293 N 0.04 0.00 0.00 3.11 -0.00 -1.49 -3.13 115.31 113.85 1y8b h LEU 293 Ca 0.44 -0.05 -0.21 0.00 -0.00 0.00 0.00 57.88 58.06 1y8b h LEU 293 Cb 0.75 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.38 1y8b h LEU 293 CO -0.79 0.03 -1.33 -0.03 -0.00 0.00 0.00 178.44 176.31 1y8b h MET 294 N 0.00 0.00 0.00 0.17 4.05 -0.06 -3.34 114.93 115.75 1y8b h MET 294 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1y8b h MET 294 Cb 0.79 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.59 1y8b h MET 294 CO 0.00 0.49 -0.01 1.96 0.23 0.00 0.00 176.91 179.58 1y8b h GLN 295 N 0.00 0.00 0.00 0.39 4.20 -0.11 -3.46 115.11 116.13 1y8b h GLN 295 Ca -0.16 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1y8b h GLN 295 Cb 1.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.50 1y8b h GLN 295 CO 0.07 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.64 1y8b n GLY 296 N 1.82 -0.30 0.00 3.46 0.00 -1.18 -5.06 105.19 103.92 1y8b n GLY 296 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y8b n GLY 296 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y8b n THR 297 N -1.46 0.00 0.00 2.61 -1.04 -1.23 -4.98 114.28 108.19 1y8b n THR 297 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1y8b n THR 297 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1y8b n THR 297 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1y8b n LEU 298 N -0.31 0.00 -4.26 -4.42 4.77 -1.24 -4.48 117.00 107.05 1y8b n LEU 298 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1y8b n LEU 298 Cb 0.00 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 40.99 1y8b n LEU 298 CO 0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 177.39 175.70 1y8b s GLN 299 N 0.00 1.14 -0.13 3.23 1.03 -1.25 -4.21 119.66 119.46 1y8b s GLN 299 Ca 0.00 -1.53 0.02 0.00 0.04 0.00 0.00 55.36 53.89 1y8b s GLN 299 Cb 0.00 -0.48 0.01 0.00 0.03 0.00 0.00 33.01 32.57 1y8b s GLN 299 CO 0.00 -0.05 -0.19 -1.21 -2.54 0.00 0.00 175.29 171.30 1y8b s GLU 300 N -3.84 2.74 -0.31 9.60 0.41 -1.26 -4.68 118.70 121.37 1y8b s GLU 300 Ca 0.22 -0.75 -0.21 0.00 -0.41 0.00 0.00 54.97 53.82 1y8b s GLU 300 Cb 0.05 -2.26 -0.01 0.00 -1.78 0.00 0.00 34.13 30.13 1y8b s GLU 300 CO 0.04 -0.05 0.67 0.15 -0.49 0.00 0.00 175.26 175.58 1y8b s LYS 301 N 0.93 3.90 -0.01 1.61 3.01 -1.26 -4.78 119.74 123.13 1y8b s LYS 301 Ca -0.06 0.36 0.01 0.00 -1.01 0.00 0.00 55.97 55.27 1y8b s LYS 301 Cb -0.15 -3.73 0.01 0.00 -1.01 0.00 0.00 37.83 32.94 1y8b s LYS 301 CO -0.03 -0.61 -0.04 -1.64 0.51 0.00 0.00 175.35 173.54 1y8b s MET 302 N 2.71 0.44 -0.08 1.68 -1.94 -1.26 -5.13 119.30 115.72 1y8b s MET 302 Ca 0.27 -0.12 -0.03 0.00 -1.71 0.00 0.00 55.69 54.10 1y8b s MET 302 Cb -0.15 -0.46 0.04 0.00 2.01 0.00 0.00 34.83 36.27 1y8b s MET 302 CO 0.12 0.03 0.07 -1.21 -0.01 0.00 0.00 175.02 174.03 1y8b s GLU 303 N 0.23 -0.04 0.02 2.03 2.02 -1.26 -4.87 118.70 116.83 1y8b s GLU 303 Ca -0.02 0.26 0.00 0.00 0.02 0.00 0.00 54.97 55.23 1y8b s GLU 303 Cb -0.06 -0.85 -0.01 0.00 0.10 0.00 0.00 34.13 33.30 1y8b s GLU 303 CO -0.00 -0.42 -0.03 0.15 0.02 0.00 0.00 175.26 174.98 1y8b s LYS 304 N 2.17 0.26 -0.88 1.61 -0.14 -1.26 -5.05 119.74 116.45 1y8b s LYS 304 Ca 0.04 -0.46 -0.19 0.00 -1.36 0.00 0.00 55.97 54.00 1y8b s LYS 304 Cb -0.13 0.03 -0.23 0.00 -1.68 0.00 0.00 37.83 35.82 1y8b s LYS 304 CO -0.05 -0.02 2.30 -1.71 -0.76 0.00 0.00 175.35 175.11 1y8b n ASN 305 N 1.99 0.38 0.00 2.83 5.15 -1.26 -1.41 115.26 122.94 1y8b n ASN 305 Ca -0.21 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.69 1y8b n ASN 305 Cb 0.56 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.64 1y8b n ASN 305 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y8b n GLY 306 N 6.24 0.09 2.75 8.20 0.00 -1.26 -5.05 105.19 116.17 1y8b n GLY 306 Ca 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.56 1y8b n GLY 306 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8b n ARG 307 N 0.00 -3.47 -2.76 1.61 5.12 -0.50 -5.01 116.66 111.65 1y8b n ARG 307 Ca 0.00 2.76 -0.20 0.00 -1.93 0.00 0.00 57.85 58.48 1y8b n ARG 307 Cb 0.00 -4.55 0.03 0.00 -1.16 0.00 0.00 32.46 26.79 1y8b n ARG 307 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 1y8b s GLN 308 N -1.11 2.56 0.16 5.56 0.00 -1.26 -5.06 119.66 120.51 1y8b s GLN 308 Ca -0.11 -0.98 -0.28 0.00 -0.00 0.00 0.00 55.36 53.99 1y8b s GLN 308 Cb 0.01 -2.56 -0.08 0.00 0.00 0.00 0.00 33.01 30.38 1y8b s GLN 308 CO 0.66 -0.64 0.87 0.96 0.00 0.00 0.00 175.29 177.15 1y8b s ILE 309 N -2.66 4.34 -0.04 3.63 -0.00 -1.26 -5.05 121.20 120.15 1y8b s ILE 309 Ca 0.57 1.91 0.02 0.00 -0.00 0.00 0.00 60.65 63.16 1y8b s ILE 309 Cb -0.10 -4.24 -0.03 0.00 -0.00 0.00 0.00 42.46 38.09 1y8b s ILE 309 CO 0.37 0.45 -0.09 -0.69 -0.00 0.00 0.00 174.94 174.98 1y8b s VAL 310 N -0.78 3.50 -0.56 8.37 1.01 -1.26 -5.07 120.40 125.60 1y8b s VAL 310 Ca 0.40 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 1y8b s VAL 310 Cb -0.24 -2.44 0.09 0.00 0.00 0.00 0.00 36.38 33.79 1y8b s VAL 310 CO 0.29 0.54 0.68 -0.60 0.00 0.00 0.00 175.10 176.01 1y8b s ARG 311 N -0.94 3.07 -0.04 2.72 6.06 -1.26 -5.04 118.95 123.52 1y8b s ARG 311 Ca 0.13 -1.16 -0.01 0.00 -2.50 0.00 0.00 55.73 52.18 1y8b s ARG 311 Cb -0.11 -4.21 -0.04 0.00 0.06 0.00 0.00 34.95 30.66 1y8b s ARG 311 CO 0.03 -1.43 0.06 -1.59 -2.50 0.00 0.00 175.30 169.87 1y8b s LYS 312 N 2.69 3.07 -0.06 5.12 0.00 -1.26 -4.18 119.74 125.12 1y8b s LYS 312 Ca 0.13 -0.43 -0.30 0.00 0.00 0.00 0.00 55.97 55.36 1y8b s LYS 312 Cb -0.22 -2.87 -0.09 0.00 0.00 0.00 0.00 37.83 34.65 1y8b s LYS 312 CO 0.08 0.68 2.03 1.47 0.00 0.00 0.00 175.35 179.61 1y8b n LEU 313 N 1.53 3.77 -4.53 2.77 -0.00 -1.26 -4.87 117.00 114.42 1y8b n LEU 313 Ca -0.15 0.73 -0.44 0.00 -0.00 0.00 0.00 56.01 56.15 1y8b n LEU 313 Cb 0.53 -1.50 -0.01 0.00 -0.00 0.00 0.00 43.42 42.45 1y8b n LEU 313 CO 0.35 -0.08 0.35 0.59 -0.00 0.00 0.00 177.39 178.60 1y8b n ASN 314 N 8.46 0.33 -4.86 1.45 3.02 -1.26 -4.93 115.26 117.47 1y8b n ASN 314 Ca 0.24 1.08 -0.33 0.00 -0.03 0.00 0.00 54.58 55.53 1y8b n ASN 314 Cb 0.39 -1.20 -0.06 0.00 -0.61 0.00 0.00 39.78 38.30 1y8b n ASN 314 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1y8b s ASP 315 N -0.75 6.73 0.38 6.41 1.11 -1.26 -4.77 116.67 124.51 1y8b s ASP 315 Ca 0.61 1.07 -0.23 0.00 0.18 0.00 0.00 52.55 54.19 1y8b s ASP 315 Cb -0.69 -2.29 -0.14 0.00 1.07 0.00 0.00 42.92 40.87 1y8b s ASP 315 CO 0.58 -0.06 0.36 0.47 1.18 0.00 0.00 175.17 177.71 1y8b n ASP 316 N 0.08 -1.70 -4.87 0.27 9.92 -1.26 -4.98 116.55 114.01 1y8b n ASP 316 Ca -0.00 0.90 -0.28 0.00 -0.53 0.00 0.00 54.79 54.88 1y8b n ASP 316 Cb 0.52 -1.00 -0.02 0.00 -0.64 0.00 0.00 41.12 39.98 1y8b n ASP 316 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1y8b s ARG 317 N -1.26 2.24 0.06 -1.24 3.52 -1.26 -5.07 118.95 115.93 1y8b s ARG 317 Ca 0.62 -2.13 0.08 0.00 -0.13 0.00 0.00 55.73 54.17 1y8b s ARG 317 Cb -0.66 -1.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1y8b s ARG 317 CO 0.60 -0.55 -0.23 -1.01 -0.81 0.00 0.00 175.30 173.30 1y8b s HIS 318 N -2.80 1.97 -0.08 5.12 3.76 -1.26 -4.35 115.29 117.64 1y8b s HIS 318 Ca 0.26 -0.39 -0.08 0.00 -0.15 0.00 0.00 55.06 54.70 1y8b s HIS 318 Cb -0.01 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.55 1y8b s HIS 318 CO 0.16 0.14 0.22 0.71 -0.85 0.00 0.00 174.74 175.12 1y8b s TYR 319 N -0.88 -0.24 -0.58 1.40 1.51 0.93 -4.97 117.35 114.51 1y8b s TYR 319 Ca 0.09 0.59 -0.19 0.00 -1.01 0.00 0.00 57.07 56.55 1y8b s TYR 319 Cb -0.09 0.08 0.10 0.00 -0.11 0.00 0.00 41.96 41.94 1y8b s TYR 319 CO 0.03 -0.12 0.69 0.95 -1.11 0.00 0.00 175.55 175.99 1y8b s THR 320 N 0.11 4.84 0.34 -0.71 -4.23 -1.15 0.13 115.64 114.97 1y8b s THR 320 Ca -0.00 -0.99 -0.27 0.00 -1.18 0.00 0.00 61.69 59.25 1y8b s THR 320 Cb -0.02 -4.47 -0.09 0.00 1.34 0.00 0.00 72.50 69.26 1y8b s THR 320 CO 0.00 -1.10 1.10 0.00 -0.54 0.00 0.00 174.62 174.09 1y8b s ALA 321 N 2.63 3.27 0.58 3.99 0.00 -1.25 -2.70 121.76 128.28 1y8b s ALA 321 Ca 0.11 0.86 0.32 0.00 0.00 0.00 0.00 51.96 53.25 1y8b s ALA 321 Cb -0.24 -3.32 1.88 0.00 0.00 0.00 0.00 23.12 21.44 1y8b s ALA 321 CO 0.06 -0.25 2.26 0.00 0.00 0.00 0.00 175.76 177.83 1y8b h ALA 322 N 3.21 1.43 0.00 0.00 0.00 -1.76 0.91 119.26 123.04 1y8b h ALA 322 Ca -0.48 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.27 1y8b h ALA 322 Cb 1.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1y8b h ALA 322 CO 0.65 0.01 -1.73 -0.40 0.00 0.00 0.00 179.25 177.78 1y8b n ASP 323 N -3.71 2.15 -2.05 0.00 5.68 -1.26 -4.64 116.55 112.72 1y8b n ASP 323 Ca -0.03 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.12 1y8b n ASP 323 Cb 0.09 1.01 0.05 0.00 -1.14 0.00 0.00 41.12 41.13 1y8b n ASP 323 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1y8b n GLY 324 N 2.15 4.93 1.38 6.12 0.00 -1.06 -5.05 105.19 113.66 1y8b n GLY 324 Ca -0.14 -2.06 -0.16 0.00 0.00 0.00 0.00 46.02 43.66 1y8b n GLY 324 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y8b n SER 325 N -0.68 0.11 0.00 1.61 3.41 0.31 -3.06 113.62 115.32 1y8b n SER 325 Ca 0.31 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 1y8b n SER 325 Cb 0.91 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 1y8b n SER 325 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1y8b n GLU 326 N 3.34 0.00 -2.90 4.33 0.28 -0.92 -4.70 120.64 120.07 1y8b n GLU 326 Ca 0.26 0.00 -0.19 0.00 -0.16 0.00 0.00 57.16 57.07 1y8b n GLU 326 Cb 0.01 0.00 0.03 0.00 1.43 0.00 0.00 31.44 32.91 1y8b n GLU 326 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1y8b s ILE 327 N -1.21 2.76 -0.01 3.84 -4.36 0.36 -4.84 121.20 117.74 1y8b s ILE 327 Ca 0.00 -0.89 -0.07 0.00 -0.26 0.00 0.00 60.65 59.43 1y8b s ILE 327 Cb 0.00 -2.87 0.00 0.00 1.25 0.00 0.00 42.46 40.85 1y8b s ILE 327 CO 0.00 0.00 0.14 -0.55 0.24 0.00 0.00 174.94 174.77 1y8b s SER 328 N -4.43 -0.02 0.35 4.36 0.15 -1.26 -0.05 113.70 112.81 1y8b s SER 328 Ca 0.57 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 57.21 1y8b s SER 328 Cb -0.09 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.45 1y8b s SER 328 CO 0.36 -0.28 0.50 -0.76 1.20 0.00 0.00 173.24 174.26 1y8b s LEU 329 N -0.97 3.91 0.00 3.45 1.02 -1.26 -5.02 118.68 119.80 1y8b s LEU 329 Ca -0.11 -0.18 0.00 0.00 0.02 0.00 0.00 54.13 53.86 1y8b s LEU 329 Cb -0.06 -2.77 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1y8b s LEU 329 CO 0.01 -0.49 0.00 1.57 0.02 0.00 0.00 176.35 177.46 1y8b n HIS 330 N -1.70 0.00 0.00 0.29 -0.00 -1.26 -4.48 115.22 108.07 1y8b n HIS 330 Ca 0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.19 1y8b n HIS 330 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 1y8b n HIS 330 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y8b n GLY 331 N 0.00 2.71 3.89 1.57 0.00 -1.26 -4.63 105.19 107.47 1y8b n GLY 331 Ca 0.00 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 1y8b n GLY 331 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1y8b s ARG 332 N 0.00 3.22 0.24 1.61 1.70 -1.26 -4.07 118.95 120.39 1y8b s ARG 332 Ca 0.00 -0.77 -0.30 0.00 -0.47 0.00 0.00 55.73 54.19 1y8b s ARG 332 Cb 0.00 -2.81 -0.09 0.00 -0.57 0.00 0.00 34.95 31.49 1y8b s ARG 332 CO 0.00 0.47 1.14 -1.12 -1.08 0.00 0.00 175.30 174.71 1y8b s SER 333 N -3.44 7.18 0.04 -2.89 0.01 -1.10 -4.91 113.70 108.60 1y8b s SER 333 Ca 0.33 2.27 -0.30 0.00 1.31 0.00 0.00 55.95 59.55 1y8b s SER 333 Cb -0.10 -2.62 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 1y8b s SER 333 CO 0.27 -0.24 1.71 -0.22 0.41 0.00 0.00 173.24 175.16 1y8b s LEU 334 N -1.00 4.37 -0.25 2.44 2.96 -1.23 -4.78 118.68 121.19 1y8b s LEU 334 Ca 0.48 2.47 -0.09 0.00 -0.22 0.00 0.00 54.13 56.76 1y8b s LEU 334 Cb -0.32 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.77 1y8b s LEU 334 CO 0.40 -0.92 0.14 -0.76 -1.32 0.00 0.00 176.35 173.88 1y8b s LEU 335 N 3.20 3.86 -0.21 -0.68 1.02 -1.25 0.29 118.68 124.91 1y8b s LEU 335 Ca 0.76 -0.03 -0.09 0.00 0.02 0.00 0.00 54.13 54.79 1y8b s LEU 335 Cb -0.39 -2.05 -0.05 0.00 0.02 0.00 0.00 46.19 43.73 1y8b s LEU 335 CO 0.33 0.00 0.11 -0.36 0.02 0.00 0.00 176.35 176.46 1y8b s PHE 336 N 1.42 3.30 -0.15 0.29 0.08 0.87 -4.76 117.98 119.03 1y8b s PHE 336 Ca 0.06 0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.98 1y8b s PHE 336 Cb -0.15 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.11 1y8b s PHE 336 CO 0.07 0.12 1.29 0.42 -0.10 0.00 0.00 175.22 177.02 1y8b s ILE 337 N 0.69 4.22 -0.25 0.64 -1.09 -0.66 0.32 121.20 125.07 1y8b s ILE 337 Ca 0.06 1.48 -0.07 0.00 -2.23 0.00 0.00 60.65 59.89 1y8b s ILE 337 Cb -0.13 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1y8b s ILE 337 CO 0.01 -0.13 0.07 -0.60 -1.23 0.00 0.00 174.94 173.07 1y8b s ARG 338 N 3.49 3.66 0.47 2.79 3.52 -1.18 -0.84 118.95 130.87 1y8b s ARG 338 Ca 0.56 -0.47 -0.04 0.00 -0.13 0.00 0.00 55.73 55.65 1y8b s ARG 338 Cb -0.23 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1y8b s ARG 338 CO 0.16 -0.18 0.74 -0.80 -0.81 0.00 0.00 175.30 174.41 1y8b s ASN 339 N 1.60 6.13 0.34 -2.12 0.01 -1.25 -4.82 114.94 114.83 1y8b s ASN 339 Ca 0.06 0.73 0.05 0.00 -0.71 0.00 0.00 52.86 53.00 1y8b s ASN 339 Cb -0.15 -2.05 -0.07 0.00 0.41 0.00 0.00 41.25 39.39 1y8b s ASN 339 CO 0.04 -0.61 0.03 0.54 -1.51 0.00 0.00 177.10 175.59 1y8b s VAL 340 N -2.68 1.44 0.00 1.60 0.11 -1.26 -4.88 120.40 114.73 1y8b s VAL 340 Ca 0.47 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.50 1y8b s VAL 340 Cb -0.10 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1y8b s VAL 340 CO 0.42 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 1y8b n GLY 341 N -0.74 1.35 0.00 6.54 0.00 -1.26 -4.78 105.19 106.30 1y8b n GLY 341 Ca -0.03 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1y8b n GLY 341 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1y8b n HIS 342 N 0.00 0.00 -0.04 1.61 1.44 -1.26 -3.89 115.22 113.08 1y8b n HIS 342 Ca 0.00 0.00 0.23 0.00 -2.01 0.00 0.00 57.72 55.94 1y8b n HIS 342 Cb 0.00 -0.01 0.57 0.00 0.12 0.00 0.00 29.99 30.67 1y8b n HIS 342 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 1y8b h LEU 343 N 0.00 0.00 0.00 2.39 -0.00 -1.90 2.81 115.31 118.61 1y8b h LEU 343 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1y8b h LEU 343 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1y8b h LEU 343 CO 0.00 0.00 -0.06 0.23 -0.00 0.00 0.00 178.44 178.61 1y8b n MET 344 N -3.38 0.25 -3.38 0.17 2.81 -1.26 -4.75 117.12 107.58 1y8b n MET 344 Ca 0.14 0.19 0.02 0.00 -1.81 0.00 0.00 57.70 56.24 1y8b n MET 344 Cb 1.08 -1.78 -0.03 0.00 -0.71 0.00 0.00 33.22 31.78 1y8b n MET 344 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 1y8b s THR 345 N -3.10 -0.73 0.28 2.03 2.01 0.94 -4.73 115.64 112.34 1y8b s THR 345 Ca 0.10 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 1y8b s THR 345 Cb 0.13 -1.00 -0.11 0.00 0.01 0.00 0.00 72.50 71.52 1y8b s THR 345 CO 0.61 0.00 1.60 -0.51 -0.69 0.00 0.00 174.62 175.63 1y8b s ILE 346 N 2.75 2.08 1.06 1.82 2.07 -1.23 -4.25 121.20 125.50 1y8b s ILE 346 Ca 0.02 0.07 -0.18 0.00 -1.41 0.00 0.00 60.65 59.15 1y8b s ILE 346 Cb -0.10 -3.04 0.27 0.00 0.13 0.00 0.00 42.46 39.71 1y8b s ILE 346 CO -0.18 0.01 0.72 -0.81 -1.91 0.00 0.00 174.94 172.78 1y8b n PRO 347 N 2.33 -3.67 0.00 3.50 -0.04 -1.26 -4.67 135.00 131.18 1y8b n PRO 347 Ca 0.09 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1y8b n PRO 347 Cb 0.37 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1y8b n PRO 347 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1y8b n VAL 348 N -4.87 0.00 -4.33 0.52 0.31 -1.26 -4.74 118.33 103.97 1y8b n VAL 348 Ca 0.11 -0.05 -0.33 0.00 -0.01 0.00 0.00 64.34 64.06 1y8b n VAL 348 Cb 0.45 0.39 -0.09 0.00 -0.91 0.00 0.00 33.84 33.68 1y8b n VAL 348 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1y8b s ILE 349 N -0.79 4.07 -0.12 2.52 1.01 -1.26 -4.72 121.20 121.91 1y8b s ILE 349 Ca 0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1y8b s ILE 349 Cb 0.00 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.63 1y8b s ILE 349 CO 0.00 0.40 0.41 0.26 0.00 0.00 0.00 174.94 176.01 1y8b s TRP 350 N -1.05 3.52 0.81 3.97 0.23 -0.68 -4.95 118.94 120.78 1y8b s TRP 350 Ca 0.18 0.80 -0.12 0.00 -2.03 0.00 0.00 56.10 54.94 1y8b s TRP 350 Cb -0.11 -2.45 0.08 0.00 0.03 0.00 0.00 33.47 31.01 1y8b s TRP 350 CO 0.09 0.25 1.13 -0.51 0.96 0.00 0.00 176.95 178.86 1y8b s ASP 351 N 0.38 4.47 0.40 2.95 1.11 -1.26 -1.91 116.67 122.81 1y8b s ASP 351 Ca 0.23 1.06 0.22 0.00 0.18 0.00 0.00 52.55 54.23 1y8b s ASP 351 Cb -0.15 -1.72 0.39 0.00 1.07 0.00 0.00 42.92 42.52 1y8b s ASP 351 CO 0.08 -1.95 1.61 -1.28 1.18 0.00 0.00 175.17 174.81 1y8b h SER 352 N -1.08 0.00 0.07 0.27 0.87 -1.92 -3.16 113.55 108.60 1y8b h SER 352 Ca -0.47 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1y8b h SER 352 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1y8b h SER 352 CO 0.63 0.16 -1.29 1.21 -0.53 0.00 0.00 176.83 177.01 1y8b n GLU 353 N -3.16 0.24 -2.75 2.24 2.13 -1.26 -4.97 120.64 113.11 1y8b n GLU 353 Ca 0.03 -0.06 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 1y8b n GLU 353 Cb 0.56 -1.52 0.02 0.00 0.27 0.00 0.00 31.44 30.78 1y8b n GLU 353 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y8b n GLY 354 N 1.41 0.25 3.68 8.31 0.00 -1.19 -4.87 105.19 112.78 1y8b n GLY 354 Ca 0.01 -0.35 -0.60 0.00 0.00 0.00 0.00 46.02 45.08 1y8b n GLY 354 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y8b n ASN 355 N -0.18 2.01 -1.81 1.61 5.15 -1.26 -4.47 115.26 116.31 1y8b n ASN 355 Ca -0.02 1.04 -0.17 0.00 -0.60 0.00 0.00 54.58 54.82 1y8b n ASN 355 Cb 0.54 -1.07 -0.06 0.00 -0.53 0.00 0.00 39.78 38.66 1y8b n ASN 355 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1y8b n GLU 356 N 5.36 0.00 -2.46 1.20 4.07 -1.26 -2.36 120.64 125.19 1y8b n GLU 356 Ca 0.30 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.40 1y8b n GLU 356 Cb 0.08 -0.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.85 1y8b n GLU 356 CO 0.00 0.00 0.00 1.51 -0.06 0.00 0.00 177.13 178.58 1y8b n ILE 357 N 2.98 -1.30 0.00 6.31 0.00 -1.26 -4.95 119.36 121.14 1y8b n ILE 357 Ca 0.26 0.27 0.00 0.00 0.00 0.00 0.00 62.75 63.28 1y8b n ILE 357 Cb 0.01 -2.15 0.00 0.00 0.00 0.00 0.00 39.64 37.50 1y8b n ILE 357 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1y8b n PRO 358 N 1.38 1.14 -4.34 9.51 -0.04 -0.99 -4.89 135.00 136.77 1y8b n PRO 358 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 1y8b n PRO 358 Cb 0.27 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.64 1y8b n PRO 358 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y8b s GLU 359 N 0.00 2.80 -0.97 0.54 2.02 -1.26 -4.26 118.70 117.57 1y8b s GLU 359 Ca 0.00 -0.58 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 1y8b s GLU 359 Cb 0.00 -2.67 -0.10 0.00 0.10 0.00 0.00 34.13 31.46 1y8b s GLU 359 CO 0.00 0.64 2.07 0.41 0.02 0.00 0.00 175.26 178.40 1y8b n GLY 360 N 1.60 3.12 0.23 -1.39 0.00 -1.26 -4.59 105.19 102.90 1y8b n GLY 360 Ca -0.16 -1.25 0.16 0.00 0.00 0.00 0.00 46.02 44.77 1y8b n GLY 360 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1y8b h ILE 361 N 4.09 0.00 -0.17 -0.61 2.10 -1.92 -3.20 117.51 117.80 1y8b h ILE 361 Ca 0.49 -0.28 0.04 0.00 1.08 0.00 0.00 64.86 66.20 1y8b h ILE 361 Cb 0.53 1.13 -0.07 0.00 -1.09 0.00 0.00 36.82 37.33 1y8b h ILE 361 CO 1.83 0.00 -0.45 0.17 -1.08 0.00 0.00 178.15 178.62 1y8b h LEU 362 N 0.00 -1.44 -0.59 2.19 -0.00 -2.00 -0.36 115.31 113.12 1y8b h LEU 362 Ca 0.00 0.19 0.12 0.00 -0.00 0.00 0.00 57.88 58.19 1y8b h LEU 362 Cb 0.32 0.58 -0.11 0.00 -0.00 0.00 0.00 40.66 41.46 1y8b h LEU 362 CO 0.00 -0.43 -0.07 0.44 -0.00 0.00 0.00 178.44 178.38 1y8b h ASP 363 N -0.49 -0.40 0.55 0.17 3.32 -1.97 0.44 116.42 118.05 1y8b h ASP 363 Ca 0.07 0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1y8b h ASP 363 Cb 0.64 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1y8b h ASP 363 CO -0.43 -0.15 -0.50 1.23 -1.72 0.00 0.00 179.24 177.67 1y8b h GLY 364 N 0.06 -1.28 0.68 2.75 0.00 -1.36 -1.51 103.07 102.41 1y8b h GLY 364 Ca 0.30 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.30 1y8b h GLY 364 CO -0.55 -0.39 0.62 -2.08 0.00 0.00 0.00 176.54 174.13 1y8b h VAL 365 N -1.04 1.01 -0.01 4.60 2.07 -0.50 0.26 116.25 122.64 1y8b h VAL 365 Ca -0.07 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1y8b h VAL 365 Cb 0.89 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1y8b h VAL 365 CO -0.03 0.19 0.02 0.24 0.02 0.00 0.00 177.57 178.00 1y8b h MET 366 N 1.02 0.00 -0.84 1.57 2.07 0.53 -2.41 114.93 116.87 1y8b h MET 366 Ca 0.44 0.00 0.19 0.00 -2.07 0.00 0.00 59.70 58.26 1y8b h MET 366 Cb 0.33 0.00 -0.12 0.00 -1.87 0.00 0.00 31.60 29.94 1y8b h MET 366 CO -0.19 0.00 0.32 0.00 1.07 0.00 0.00 176.91 178.11 1y8b h THR 367 N 0.00 0.51 0.50 2.22 1.03 0.52 -0.81 112.91 116.88 1y8b h THR 367 Ca 0.00 -0.13 -0.02 0.00 -0.01 0.00 0.00 66.41 66.25 1y8b h THR 367 Cb 0.04 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.23 1y8b h THR 367 CO -0.00 0.07 -0.24 1.23 -0.01 0.00 0.00 175.52 176.57 1y8b h GLY 368 N 0.38 -0.70 -0.54 2.99 0.00 -1.60 0.65 103.07 104.26 1y8b h GLY 368 Ca 0.50 0.26 0.14 0.00 0.00 0.00 0.00 47.33 48.23 1y8b h GLY 368 CO -0.51 -0.25 -0.25 0.00 0.00 0.00 0.00 176.54 175.53 1y8b h ALA 369 N -0.25 0.30 0.00 3.60 0.00 -1.33 1.99 119.26 123.57 1y8b h ALA 369 Ca -0.07 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1y8b h ALA 369 Cb 0.54 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1y8b h ALA 369 CO 0.11 -0.51 -0.14 0.82 0.00 0.00 0.00 179.25 179.53 1y8b h ILE 370 N -0.05 0.61 0.00 0.00 5.03 -1.07 -1.97 117.51 120.06 1y8b h ILE 370 Ca 0.32 -0.63 -0.08 0.00 -0.12 0.00 0.00 64.86 64.36 1y8b h ILE 370 Cb 0.56 1.40 -0.01 0.00 -3.03 0.00 0.00 36.82 35.74 1y8b h ILE 370 CO -0.77 0.14 -0.40 0.00 -0.68 0.00 0.00 178.15 176.44 1y8b h ALA 371 N 1.86 0.75 -0.40 1.87 0.00 0.53 -3.28 119.26 120.58 1y8b h ALA 371 Ca -0.00 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.68 1y8b h ALA 371 Cb 0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1y8b h ALA 371 CO 0.02 0.47 1.03 1.25 0.00 0.00 0.00 179.25 182.02 1y8b h LEU 372 N 0.00 0.00 -1.56 0.00 7.12 0.80 0.82 115.31 122.49 1y8b h LEU 372 Ca -0.01 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.98 1y8b h LEU 372 Cb 1.29 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.40 1y8b h LEU 372 CO 0.05 0.00 0.05 0.22 -0.13 0.00 0.00 178.44 178.63 1y8b h TYR 373 N 0.00 0.33 0.00 1.25 3.20 -1.77 0.25 116.97 120.24 1y8b h TYR 373 Ca 0.19 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1y8b h TYR 373 Cb 2.26 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 40.42 1y8b h TYR 373 CO 0.00 0.31 -0.62 0.38 -1.64 0.00 0.00 178.16 176.58 1y8b h ASP 374 N 0.34 0.00 0.14 -2.11 3.04 0.37 -3.18 116.42 115.02 1y8b h ASP 374 Ca 0.08 0.00 -0.31 0.00 -3.24 0.00 0.00 57.03 53.57 1y8b h ASP 374 Cb 0.14 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 1y8b h ASP 374 CO -0.00 0.15 -1.56 -0.07 -2.04 0.00 0.00 179.24 175.72 1y8b h LEU 375 N 0.00 0.46 -0.31 0.15 3.38 -1.34 -2.92 115.31 114.73 1y8b h LEU 375 Ca -0.02 -0.89 -0.08 0.00 0.09 0.00 0.00 57.88 56.98 1y8b h LEU 375 Cb 1.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1y8b h LEU 375 CO 0.02 1.69 -0.13 0.07 0.09 0.00 0.00 178.44 180.17 1y8b h LYS 376 N -0.15 0.64 0.40 1.13 2.10 -0.68 -3.14 116.57 116.87 1y8b h LYS 376 Ca -0.32 -0.27 -0.02 0.00 -2.00 0.00 0.00 60.65 58.03 1y8b h LYS 376 Cb 1.89 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 33.20 1y8b h LYS 376 CO 0.10 0.86 -0.19 -0.39 -2.00 0.00 0.00 179.45 177.82 1y8b h VAL 377 N 0.41 0.62 -3.50 0.07 -1.51 -1.72 -3.44 116.25 107.18 1y8b h VAL 377 Ca 0.07 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1y8b h VAL 377 Cb 0.65 0.66 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1y8b h VAL 377 CO 0.04 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 176.40 1y8b n GLN 378 N -5.30 -2.15 0.00 5.19 10.64 -1.10 -4.43 117.38 120.24 1y8b n GLN 378 Ca -0.11 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 1y8b n GLN 378 Cb 0.24 -3.31 0.00 0.00 -0.86 0.00 0.00 30.24 26.31 1y8b n GLN 378 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1y8b n LYS 379 N -1.65 3.17 -3.16 2.61 5.02 -1.26 -4.99 118.16 117.89 1y8b n LYS 379 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 1y8b n LYS 379 Cb 0.30 -0.42 -0.00 0.00 -0.02 0.00 0.00 35.03 34.89 1y8b n LYS 379 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1y8b s ASN 380 N -0.53 -1.59 0.04 4.39 2.47 -1.26 -5.15 114.94 113.32 1y8b s ASN 380 Ca 0.00 0.07 0.04 0.00 0.42 0.00 0.00 52.86 53.39 1y8b s ASN 380 Cb 0.00 2.00 -0.02 0.00 -1.45 0.00 0.00 41.25 41.78 1y8b s ASN 380 CO 0.00 -0.28 -0.11 -0.44 -3.72 0.00 0.00 177.10 172.55 1y8b s SER 381 N 2.72 1.25 -0.19 -4.21 0.01 -1.26 -5.03 113.70 106.99 1y8b s SER 381 Ca 0.11 -0.46 -0.24 0.00 1.31 0.00 0.00 55.95 56.68 1y8b s SER 381 Cb -0.09 -0.05 -0.21 0.00 0.21 0.00 0.00 66.02 65.88 1y8b s SER 381 CO -0.24 -0.06 0.38 0.03 0.41 0.00 0.00 173.24 173.77 1y8b h ARG 382 N 4.84 0.00 0.00 12.44 2.47 -1.97 -3.37 114.38 128.80 1y8b h ARG 382 Ca -0.36 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 1y8b h ARG 382 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.51 1y8b h ARG 382 CO 0.43 1.00 -0.70 2.41 0.56 0.00 0.00 179.97 183.68 1y8b n THR 383 N -4.47 0.09 -2.40 2.04 -1.04 -1.26 -4.38 114.28 102.86 1y8b n THR 383 Ca -0.25 -0.10 -0.17 0.00 -2.04 0.00 0.00 64.05 61.49 1y8b n THR 383 Cb 0.63 0.27 -0.01 0.00 -1.82 0.00 0.00 70.33 69.40 1y8b n THR 383 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y8b n GLY 384 N 1.45 -0.46 0.00 3.41 0.00 -1.26 -4.87 105.19 103.46 1y8b n GLY 384 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1y8b n GLY 384 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y8b n SER 385 N -1.90 0.00 -4.52 1.61 2.88 -1.26 -4.63 113.62 105.80 1y8b n SER 385 Ca -0.20 -0.52 -0.35 0.00 -1.33 0.00 0.00 58.87 56.46 1y8b n SER 385 Cb 0.65 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 64.00 1y8b n SER 385 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1y8b s VAL 386 N -2.83 4.43 -0.65 2.46 1.01 -1.26 -4.94 120.40 118.62 1y8b s VAL 386 Ca 0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 61.98 61.60 1y8b s VAL 386 Cb 0.00 -3.03 0.06 0.00 0.00 0.00 0.00 36.38 33.41 1y8b s VAL 386 CO 0.00 0.40 1.00 -0.72 0.00 0.00 0.00 175.10 175.77 1y8b s TYR 387 N 1.05 2.65 -0.04 5.22 -0.85 -1.26 -3.53 117.35 120.59 1y8b s TYR 387 Ca 0.04 -0.41 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 1y8b s TYR 387 Cb -0.14 -4.30 0.02 0.00 0.38 0.00 0.00 41.96 37.92 1y8b s TYR 387 CO 0.03 -1.65 -0.04 0.96 -1.52 0.00 0.00 175.55 173.32 1y8b s ILE 388 N 4.24 0.50 -0.06 -3.49 -4.36 -1.26 -1.66 121.20 115.12 1y8b s ILE 388 Ca 0.25 -0.13 0.01 0.00 -0.26 0.00 0.00 60.65 60.52 1y8b s ILE 388 Cb -0.15 -0.51 0.02 0.00 1.25 0.00 0.00 42.46 43.07 1y8b s ILE 388 CO 0.12 0.20 -0.08 0.68 0.24 0.00 0.00 174.94 176.11 1y8b s VAL 389 N 0.74 0.81 0.04 8.37 -7.23 -0.02 -3.93 120.40 119.18 1y8b s VAL 389 Ca -0.10 -0.27 -0.28 0.00 -1.81 0.00 0.00 61.98 59.53 1y8b s VAL 389 Cb -0.13 -0.79 0.07 0.00 0.56 0.00 0.00 36.38 36.10 1y8b s VAL 389 CO 0.00 0.29 0.65 -1.59 -0.31 0.00 0.00 175.10 174.14 1y8b s LYS 390 N 0.90 1.15 0.00 4.82 -2.85 -1.26 -3.76 119.74 118.73 1y8b s LYS 390 Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 55.97 54.82 1y8b s LYS 390 Cb -0.15 0.54 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 1y8b s LYS 390 CO 0.01 -0.42 0.00 -0.35 0.10 0.00 0.00 175.35 174.68 1y8b n PRO 391 N 0.37 0.19 -3.61 1.78 -0.04 -1.26 -4.57 135.00 127.86 1y8b n PRO 391 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1y8b n PRO 391 Cb 0.60 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.06 1y8b n PRO 391 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1y8b n LYS 392 N 0.00 -0.60 -4.21 0.54 5.02 -1.26 -4.89 118.16 112.76 1y8b n LYS 392 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.01 1y8b n LYS 392 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 1y8b n LYS 392 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y8b s MET 393 N -1.23 2.32 3.13 1.97 0.23 -1.26 -4.98 119.30 119.48 1y8b s MET 393 Ca 0.00 -1.06 0.00 0.00 -1.03 0.00 0.00 55.69 53.60 1y8b s MET 393 Cb 0.00 -2.35 0.00 0.00 -1.53 0.00 0.00 34.83 30.95 1y8b s MET 393 CO 0.00 0.48 0.00 1.58 -2.03 0.00 0.00 175.02 175.05 1y8b n HIS 394 N 0.22 -0.67 0.00 3.16 -0.00 -1.26 -3.18 115.22 113.48 1y8b n HIS 394 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 1y8b n HIS 394 Cb 0.54 0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.69 1y8b n HIS 394 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y8b n GLY 395 N 0.00 1.19 0.63 1.57 0.00 -1.26 -4.56 105.19 102.76 1y8b n GLY 395 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 46.02 46.45 1y8b n GLY 395 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1y8b h PRO 396 N 0.00 0.00 0.00 1.61 0.11 -1.90 2.21 132.00 134.03 1y8b h PRO 396 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1y8b h PRO 396 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1y8b h PRO 396 CO 0.00 0.00 -0.17 1.04 -0.21 0.00 0.00 178.00 178.66 1y8b n GLN 397 N -3.77 0.24 -0.06 1.05 6.02 -1.26 -3.67 117.38 115.93 1y8b n GLN 397 Ca 0.35 0.16 -0.14 0.00 -0.01 0.00 0.00 57.00 57.36 1y8b n GLN 397 Cb 1.74 -1.74 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 1y8b n GLN 397 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1y8b h GLU 398 N 0.00 -0.45 0.04 -1.09 5.08 0.37 -0.20 114.58 118.33 1y8b h GLU 398 Ca 0.00 0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.16 1y8b h GLU 398 Cb 0.71 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1y8b h GLU 398 CO 0.00 -0.30 -1.06 0.28 -1.00 0.00 0.00 179.01 176.93 1y8b h VAL 399 N -0.47 1.63 0.24 3.13 2.07 -1.74 -3.31 116.25 117.80 1y8b h VAL 399 Ca 0.05 -3.23 0.01 0.00 0.82 0.00 0.00 66.70 64.34 1y8b h VAL 399 Cb 0.60 2.84 -0.04 0.00 -1.52 0.00 0.00 31.29 33.17 1y8b h VAL 399 CO -0.47 0.93 -0.41 0.00 0.02 0.00 0.00 177.57 177.64 1y8b h ALA 400 N 0.88 -0.81 -0.38 1.67 0.00 -1.51 0.38 119.26 119.49 1y8b h ALA 400 Ca -0.05 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.87 1y8b h ALA 400 Cb 1.80 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 20.23 1y8b h ALA 400 CO 0.15 -1.01 0.51 0.74 0.00 0.00 0.00 179.25 179.64 1y8b h PHE 401 N -0.73 0.00 0.00 0.00 0.04 -1.16 -2.21 116.94 112.88 1y8b h PHE 401 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1y8b h PHE 401 Cb 0.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.85 1y8b h PHE 401 CO -0.30 0.00 -0.09 0.00 -0.60 0.00 0.00 178.31 177.32 1y8b h ALA 402 N 1.34 0.00 -1.47 2.45 0.00 -0.52 -2.34 119.26 118.72 1y8b h ALA 402 Ca 0.18 -0.09 0.43 0.00 0.00 0.00 0.00 54.91 55.43 1y8b h ALA 402 Cb 1.20 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 19.00 1y8b h ALA 402 CO -0.00 0.09 1.04 -0.97 0.00 0.00 0.00 179.25 179.41 1y8b h ASN 403 N -0.92 0.06 0.00 0.00 -0.00 0.00 3.52 115.58 118.24 1y8b h ASN 403 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.30 56.32 1y8b h ASN 403 Cb 0.09 0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.43 1y8b h ASN 403 CO 0.00 -0.02 -0.12 0.11 -0.00 0.00 0.00 177.43 177.40 1y8b h LYS 404 N 0.04 0.00 0.00 6.67 6.56 -1.53 -3.35 116.57 124.95 1y8b h LYS 404 Ca 0.73 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 60.27 1y8b h LYS 404 Cb 2.79 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 34.44 1y8b h LYS 404 CO -0.08 0.00 -0.26 -0.07 -2.06 0.00 0.00 179.45 176.98 1y8b h LEU 405 N -0.80 0.00 -0.22 2.94 4.07 -0.77 -3.17 115.31 117.36 1y8b h LEU 405 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1y8b h LEU 405 Cb 0.12 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.79 1y8b h LEU 405 CO 0.00 0.26 -0.48 0.15 -1.08 0.00 0.00 178.44 177.30 1y8b h PHE 406 N 0.00 -1.41 -0.23 1.13 3.57 0.64 0.85 116.94 121.49 1y8b h PHE 406 Ca -0.00 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1y8b h PHE 406 Cb 0.58 0.65 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1y8b h PHE 406 CO 0.00 -0.50 0.54 1.79 -2.23 0.00 0.00 178.31 177.91 1y8b h THR 407 N -0.48 0.12 0.24 4.41 1.35 -1.68 0.68 112.91 117.55 1y8b h THR 407 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.92 1y8b h THR 407 Cb 0.64 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1y8b h THR 407 CO -0.47 0.00 -0.11 -0.09 -0.25 0.00 0.00 175.52 174.59 1y8b h ARG 408 N 0.00 -0.31 0.05 4.72 1.12 0.59 -3.27 114.38 117.28 1y8b h ARG 408 Ca 0.11 0.02 -0.24 0.00 -1.11 0.00 0.00 59.98 58.76 1y8b h ARG 408 Cb 1.19 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 31.22 1y8b h ARG 408 CO -0.00 -0.01 -1.05 0.97 -3.11 0.00 0.00 179.97 176.77 1y8b h ILE 409 N -0.99 1.46 -0.78 1.20 2.10 -0.72 -3.30 117.51 116.48 1y8b h ILE 409 Ca -0.03 -2.73 0.18 0.00 1.08 0.00 0.00 64.86 63.36 1y8b h ILE 409 Cb 0.44 2.64 -0.13 0.00 -1.09 0.00 0.00 36.82 38.67 1y8b h ILE 409 CO 0.05 0.80 0.05 -0.08 -1.08 0.00 0.00 178.15 177.89 1y8b h GLU 410 N 0.14 0.12 -0.02 2.19 4.81 0.18 1.03 114.58 123.04 1y8b h GLU 410 Ca -0.09 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1y8b h GLU 410 Cb 1.72 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 31.07 1y8b h GLU 410 CO 0.17 0.08 0.02 0.00 -0.73 0.00 0.00 179.01 178.55 1y8b h THR 411 N 0.12 0.61 0.00 0.32 1.03 -1.63 2.52 112.91 115.88 1y8b h THR 411 Ca 0.44 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.79 1y8b h THR 411 Cb 0.79 0.99 -0.01 0.00 -1.07 0.00 0.00 68.15 68.85 1y8b h THR 411 CO -0.66 0.00 -0.43 -0.03 -0.01 0.00 0.00 175.52 174.38 1y8b h MET 412 N 0.00 0.00 -0.05 0.00 1.85 0.85 -0.43 114.93 117.16 1y8b h MET 412 Ca 0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.10 1y8b h MET 412 Cb 0.04 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.07 1y8b h MET 412 CO -0.00 0.35 0.00 1.28 -0.40 0.00 0.00 176.91 178.14 1y8b n LEU 413 N -4.63 0.83 0.00 3.39 4.77 -0.04 -3.48 117.00 117.85 1y8b n LEU 413 Ca -0.11 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.56 1y8b n LEU 413 Cb 0.30 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1y8b n LEU 413 CO 0.13 0.16 -0.02 0.61 -1.33 0.00 0.00 177.39 176.93 1y8b n GLY 414 N 1.03 0.94 5.01 -0.72 0.00 0.85 -4.97 105.19 107.32 1y8b n GLY 414 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1y8b n GLY 414 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y8b n MET 415 N -0.83 0.00 0.09 1.61 2.81 -0.17 -3.04 117.12 117.60 1y8b n MET 415 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1y8b n MET 415 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 1y8b n MET 415 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y8b n ALA 416 N 0.35 2.31 -1.21 3.04 0.00 -1.26 -4.67 120.51 119.06 1y8b n ALA 416 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y8b n ALA 416 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1y8b n ALA 416 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1y8b n PRO 417 N -3.04 0.53 -0.35 0.00 -0.04 -1.17 -4.99 135.00 125.94 1y8b n PRO 417 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1y8b n PRO 417 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1y8b n PRO 417 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1y8b n ASN 418 N -1.93 -2.93 -0.00 3.54 2.85 -1.26 -4.78 115.26 110.75 1y8b n ASN 418 Ca 0.00 0.27 0.04 0.00 -0.11 0.00 0.00 54.58 54.77 1y8b n ASN 418 Cb 0.00 -0.22 -0.06 0.00 1.24 0.00 0.00 39.78 40.74 1y8b n ASN 418 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 1y8b n THR 419 N -0.73 0.00 -1.97 -0.44 5.66 -1.26 -5.03 114.28 110.51 1y8b n THR 419 Ca 0.00 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1y8b n THR 419 Cb 0.00 0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.11 1y8b n THR 419 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1y8b n LEU 420 N -1.76 -5.18 -4.87 1.09 4.32 -1.26 -4.95 117.00 104.38 1y8b n LEU 420 Ca -0.01 2.97 -0.25 0.00 -0.02 0.00 0.00 56.01 58.69 1y8b n LEU 420 Cb 0.20 -2.94 -0.02 0.00 -1.62 0.00 0.00 43.42 39.04 1y8b n LEU 420 CO 0.17 -1.26 0.01 -1.59 -1.22 0.00 0.00 177.39 173.50 1y8b s LYS 421 N -0.87 2.30 -0.27 3.23 -2.85 -1.23 -4.83 119.74 115.21 1y8b s LYS 421 Ca 0.00 -1.92 -0.15 0.00 -1.00 0.00 0.00 55.97 52.91 1y8b s LYS 421 Cb 0.00 -2.12 0.09 0.00 -2.06 0.00 0.00 37.83 33.73 1y8b s LYS 421 CO 0.00 -0.47 0.66 -1.64 0.10 0.00 0.00 175.35 174.00 1y8b s MET 422 N -4.20 0.67 -0.49 1.78 -1.94 -1.25 -4.08 119.30 109.79 1y8b s MET 422 Ca 0.37 1.23 -0.26 0.00 -1.71 0.00 0.00 55.69 55.32 1y8b s MET 422 Cb -0.01 0.23 -0.06 0.00 2.01 0.00 0.00 34.83 36.99 1y8b s MET 422 CO 0.22 -0.16 2.35 0.20 -0.01 0.00 0.00 175.02 177.63 1y8b s GLY 423 N 1.80 -0.34 -0.29 -0.03 0.00 -1.25 -3.75 107.32 103.45 1y8b s GLY 423 Ca -0.09 0.00 -0.28 0.00 0.00 0.00 0.00 44.72 44.35 1y8b s GLY 423 CO -0.19 4.07 2.12 -0.42 0.00 0.00 0.00 173.10 178.67 1y8b s ILE 424 N 11.77 3.14 0.09 0.90 1.09 -1.26 -4.41 121.20 132.52 1y8b s ILE 424 Ca 0.95 0.14 -0.07 0.00 -1.10 0.00 0.00 60.65 60.57 1y8b s ILE 424 Cb -0.17 -3.21 -0.05 0.00 -1.06 0.00 0.00 42.46 37.96 1y8b s ILE 424 CO 0.26 -0.14 0.36 -0.04 -0.10 0.00 0.00 174.94 175.28 1y8b s MET 425 N 6.41 3.66 0.00 2.79 -1.94 -1.26 -4.70 119.30 124.26 1y8b s MET 425 Ca 0.94 -0.00 0.00 0.00 -1.71 0.00 0.00 55.69 54.92 1y8b s MET 425 Cb -0.28 -2.94 0.00 0.00 2.01 0.00 0.00 34.83 33.62 1y8b s MET 425 CO 0.33 0.53 0.00 -3.47 -0.01 0.00 0.00 175.02 172.41 1y8b n ASP 426 N 0.56 0.00 -3.79 3.03 -0.08 -1.26 -4.90 116.55 110.11 1y8b n ASP 426 Ca -0.06 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.80 1y8b n ASP 426 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1y8b n ASP 426 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1y8b n GLU 427 N 0.00 3.87 0.00 -0.67 2.13 -1.26 -2.79 120.64 121.92 1y8b n GLU 427 Ca 0.00 -3.57 0.00 0.00 0.66 0.00 0.00 57.16 54.25 1y8b n GLU 427 Cb 0.00 -2.84 0.00 0.00 0.27 0.00 0.00 31.44 28.87 1y8b n GLU 427 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1y8b n GLU 428 N 3.28 0.00 -0.03 5.31 1.02 -1.26 -4.82 120.64 124.14 1y8b n GLU 428 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1y8b n GLU 428 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.76 1y8b n GLU 428 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1y8b n ARG 429 N 0.00 0.63 0.00 3.49 0.63 -1.26 -2.18 116.66 117.96 1y8b n ARG 429 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1y8b n ARG 429 Cb 0.00 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 31.73 1y8b n ARG 429 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1y8b n ARG 430 N 0.79 0.00 0.00 -0.14 1.74 -1.26 -4.83 116.66 112.95 1y8b n ARG 430 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1y8b n ARG 430 Cb 0.32 -0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.68 1y8b n ARG 430 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1y8b n THR 431 N 0.00 0.00 -3.00 0.55 -1.04 -0.93 -4.22 114.28 105.64 1y8b n THR 431 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1y8b n THR 431 Cb 0.19 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.69 1y8b n THR 431 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1y8b n SER 432 N 0.00 -6.25 -0.06 8.00 2.88 -1.12 -4.81 113.62 112.27 1y8b n SER 432 Ca 0.00 0.89 -0.07 0.00 -1.33 0.00 0.00 58.87 58.35 1y8b n SER 432 Cb 0.00 -2.63 -0.15 0.00 -0.75 0.00 0.00 64.21 60.69 1y8b n SER 432 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1y8b n LEU 433 N 1.73 0.38 -2.79 2.46 4.32 -1.26 -4.54 117.00 117.30 1y8b n LEU 433 Ca -0.06 0.18 -0.16 0.00 -0.02 0.00 0.00 56.01 55.94 1y8b n LEU 433 Cb 0.27 0.32 0.00 0.00 -1.62 0.00 0.00 43.42 42.40 1y8b n LEU 433 CO 0.12 0.40 -0.07 0.59 -1.22 0.00 0.00 177.39 177.21 1y8b n ASN 434 N -2.84 2.12 0.31 -1.43 4.13 -1.26 -4.89 115.26 111.40 1y8b n ASN 434 Ca -0.24 -3.04 0.07 0.00 1.68 0.00 0.00 54.58 53.05 1y8b n ASN 434 Cb 1.06 -0.54 0.37 0.00 -1.54 0.00 0.00 39.78 39.13 1y8b n ASN 434 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1y8b h LEU 435 N 2.93 0.00 -1.99 3.41 6.46 -1.80 0.12 115.31 124.44 1y8b h LEU 435 Ca 0.04 0.00 0.20 0.00 -0.12 0.00 0.00 57.88 58.00 1y8b h LEU 435 Cb 1.02 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.93 1y8b h LEU 435 CO 0.59 0.00 0.53 -0.09 -0.62 0.00 0.00 178.44 178.85 1y8b h ARG 436 N 0.00 0.00 0.00 1.25 9.65 -1.90 -0.93 114.38 122.46 1y8b h ARG 436 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1y8b h ARG 436 Cb 1.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1y8b h ARG 436 CO 0.00 0.00 -0.05 0.77 2.80 0.00 0.00 179.97 183.49 1y8b h SER 437 N 0.00 0.00 -0.93 -3.80 0.02 -1.10 -1.76 113.55 105.99 1y8b h SER 437 Ca 0.32 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 61.54 1y8b h SER 437 Cb 1.38 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 1y8b h SER 437 CO -0.00 0.48 0.74 0.00 -1.14 0.00 0.00 176.83 176.91 1y8b h ILE 439 N 0.00 1.65 -1.50 0.00 1.08 -1.26 -3.31 117.51 114.17 1y8b h ILE 439 Ca 0.44 -2.33 0.43 0.00 -0.39 0.00 0.00 64.86 63.01 1y8b h ILE 439 Cb 1.91 3.21 -0.06 0.00 -3.07 0.00 0.00 36.82 38.81 1y8b h ILE 439 CO -0.00 0.57 1.14 0.00 -0.69 0.00 0.00 178.15 179.16 1y8b h ALA 440 N -0.07 3.41 0.00 1.87 0.00 -0.12 3.26 119.26 127.60 1y8b h ALA 440 Ca -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y8b h ALA 440 Cb 1.07 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1y8b h ALA 440 CO -0.03 -1.91 0.00 1.04 0.00 0.00 0.00 179.25 178.35 1y8b n GLN 441 N -3.94 0.11 -1.07 0.00 1.13 -1.11 -2.82 117.38 109.69 1y8b n GLN 441 Ca 0.33 0.08 -0.24 0.00 -1.94 0.00 0.00 57.00 55.24 1y8b n GLN 441 Cb 1.60 -1.50 0.10 0.00 0.11 0.00 0.00 30.24 30.55 1y8b n GLN 441 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y8b n ALA 442 N -1.43 5.44 0.00 -1.58 0.00 1.08 -4.71 120.51 119.31 1y8b n ALA 442 Ca 0.08 -2.52 0.00 0.00 0.00 0.00 0.00 53.44 51.00 1y8b n ALA 442 Cb 0.25 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1y8b n ALA 442 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1y8b n ARG 443 N -0.57 0.00 0.00 0.00 1.74 -1.13 -3.85 116.66 112.86 1y8b n ARG 443 Ca 0.48 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 1y8b n ARG 443 Cb 0.98 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 1y8b n ARG 443 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1y8b n ASN 444 N -0.78 -0.06 -1.01 0.55 0.23 -1.26 -4.56 115.26 108.35 1y8b n ASN 444 Ca 0.00 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.17 1y8b n ASN 444 Cb 0.16 0.19 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1y8b n ASN 444 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1y8b n ARG 445 N -1.89 0.02 -0.20 -3.83 1.85 -1.26 -4.67 116.66 106.67 1y8b n ARG 445 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 1y8b n ARG 445 Cb 0.00 -1.49 0.10 0.00 -1.05 0.00 0.00 32.46 30.02 1y8b n ARG 445 CO 0.00 0.00 0.00 1.55 -0.01 0.00 0.00 177.63 179.17 1y8b n VAL 446 N 1.01 0.00 -3.85 8.89 3.14 -1.25 -4.09 118.33 122.17 1y8b n VAL 446 Ca 0.00 -0.07 -0.07 0.00 -2.96 0.00 0.00 64.34 61.24 1y8b n VAL 446 Cb 0.01 -0.65 -0.02 0.00 -1.06 0.00 0.00 33.84 32.12 1y8b n VAL 446 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y8b s ALA 447 N -2.43 -1.22 0.09 1.55 0.00 -1.25 -3.81 121.76 114.69 1y8b s ALA 447 Ca 0.25 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.73 1y8b s ALA 447 Cb -0.04 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 23.84 1y8b s ALA 447 CO 0.20 -1.04 0.54 -0.59 0.00 0.00 0.00 175.76 174.88 1y8b s PHE 448 N -3.78 3.73 -0.01 0.00 -0.12 -1.26 -4.53 117.98 112.00 1y8b s PHE 448 Ca 0.11 1.17 -0.01 0.00 -0.05 0.00 0.00 56.93 58.15 1y8b s PHE 448 Cb -0.06 -2.43 -0.04 0.00 -0.63 0.00 0.00 43.02 39.87 1y8b s PHE 448 CO 0.07 0.54 0.10 0.96 -0.05 0.00 0.00 175.22 176.84 1y8b s ILE 449 N -1.23 4.86 0.26 -4.49 -0.00 -1.26 -4.35 121.20 114.99 1y8b s ILE 449 Ca 0.31 -0.33 -0.20 0.00 -0.00 0.00 0.00 60.65 60.43 1y8b s ILE 449 Cb -0.18 -3.21 0.02 0.00 -0.00 0.00 0.00 42.46 39.09 1y8b s ILE 449 CO 0.18 0.37 0.68 0.54 -0.00 0.00 0.00 174.94 176.71 1y8b s ASN 450 N -1.69 -0.27 0.00 4.36 6.03 -1.25 -4.19 114.94 117.94 1y8b s ASN 450 Ca 0.23 -0.59 0.00 0.00 -1.03 0.00 0.00 52.86 51.47 1y8b s ASN 450 Cb -0.12 0.70 0.00 0.00 -3.03 0.00 0.00 41.25 38.80 1y8b s ASN 450 CO 0.14 -1.29 0.00 0.35 -2.03 0.00 0.00 177.10 174.27 1y8b n THR 451 N -0.44 0.00 -2.99 0.54 -2.24 -1.16 -4.77 114.28 103.21 1y8b n THR 451 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1y8b n THR 451 Cb 0.60 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1y8b n THR 451 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y8b n GLY 452 N 0.00 4.96 3.13 3.38 0.00 -1.25 -4.10 105.19 111.32 1y8b n GLY 452 Ca 0.00 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1y8b n GLY 452 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y8b n PHE 453 N 0.00 -1.42 0.27 1.61 3.72 -1.26 -4.15 117.46 116.23 1y8b n PHE 453 Ca 0.00 0.36 0.02 0.00 -0.05 0.00 0.00 57.45 57.78 1y8b n PHE 453 Cb 0.00 -1.47 0.12 0.00 -0.94 0.00 0.00 39.48 37.19 1y8b n PHE 453 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1y8b n LEU 454 N 0.53 0.00 -0.32 4.37 4.32 -1.25 -3.25 117.00 121.40 1y8b n LEU 454 Ca -0.00 0.00 0.19 0.00 -0.02 0.00 0.00 56.01 56.18 1y8b n LEU 454 Cb 0.64 0.00 0.40 0.00 -1.62 0.00 0.00 43.42 42.84 1y8b n LEU 454 CO 0.45 0.00 1.03 -0.78 -1.22 0.00 0.00 177.39 176.87 1y8b h ASP 455 N 0.00 0.26 0.00 -1.43 3.58 -1.94 1.79 116.42 118.68 1y8b h ASP 455 Ca 0.00 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.65 1y8b h ASP 455 Cb 0.00 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1y8b h ASP 455 CO 0.00 -0.16 0.46 0.08 -2.88 0.00 0.00 179.24 176.73 1y8b h ARG 456 N 0.25 0.00 -0.45 0.28 0.11 -1.86 -1.16 114.38 111.56 1y8b h ARG 456 Ca 0.66 0.00 0.09 0.00 0.10 0.00 0.00 59.98 60.83 1y8b h ARG 456 Cb 1.45 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.44 1y8b h ARG 456 CO -0.65 0.00 -0.19 1.15 0.10 0.00 0.00 179.97 180.38 1y8b h THR 457 N 0.00 0.41 -0.01 0.08 2.02 0.25 0.85 112.91 116.50 1y8b h THR 457 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1y8b h THR 457 Cb 0.92 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1y8b h THR 457 CO 0.00 0.00 0.70 1.23 0.37 0.00 0.00 175.52 177.82 1y8b h GLY 458 N -0.10 0.00 0.09 2.16 0.00 -1.41 1.01 103.07 104.83 1y8b h GLY 458 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.43 1y8b h GLY 458 CO -0.51 0.00 -0.58 -0.55 0.00 0.00 0.00 176.54 174.90 1y8b h ASP 459 N 0.00 0.06 1.27 0.19 3.32 0.54 -3.12 116.42 118.68 1y8b h ASP 459 Ca 0.00 -0.83 -0.06 0.00 0.02 0.00 0.00 57.03 56.17 1y8b h ASP 459 Cb 1.41 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 1y8b h ASP 459 CO -0.00 1.24 -0.29 1.05 -1.72 0.00 0.00 179.24 179.51 1y8b h GLU 460 N -0.90 0.00 0.00 3.56 -0.00 -0.00 -2.85 114.58 114.39 1y8b h GLU 460 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.21 1y8b h GLU 460 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 1y8b h GLU 460 CO -0.05 0.29 0.00 1.98 -0.00 0.00 0.00 179.01 181.23 1y8b h MET 461 N 0.00 0.00 -0.21 1.06 4.05 0.68 -3.13 114.93 117.38 1y8b h MET 461 Ca -0.00 0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.48 1y8b h MET 461 Cb 1.01 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.80 1y8b h MET 461 CO 0.04 0.00 0.51 1.25 0.23 0.00 0.00 176.91 178.94 1y8b h HIS 462 N 0.00 0.00 -0.30 1.39 2.76 -1.43 1.60 115.15 119.17 1y8b h HIS 462 Ca 0.00 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1y8b h HIS 462 Cb 0.69 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1y8b h HIS 462 CO 0.00 0.00 -0.25 0.66 -1.30 0.00 0.00 177.93 177.04 1y8b h SER 463 N 0.00 0.58 0.00 3.26 4.64 -1.77 -3.32 113.55 116.94 1y8b h SER 463 Ca 0.10 -0.20 -0.15 0.00 -0.47 0.00 0.00 61.79 61.07 1y8b h SER 463 Cb 1.12 -0.16 -0.32 0.00 -0.31 0.00 0.00 62.40 62.73 1y8b h SER 463 CO -0.00 0.82 -0.94 1.33 -0.87 0.00 0.00 176.83 177.17 1y8b n VAL 464 N -4.11 0.21 -0.02 0.95 0.24 0.18 -3.92 118.33 111.86 1y8b n VAL 464 Ca -0.00 -1.12 -0.13 0.00 -2.04 0.00 0.00 64.34 61.04 1y8b n VAL 464 Cb 0.42 0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 33.52 1y8b n VAL 464 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1y8b h MET 465 N 0.91 -0.02 0.10 7.34 4.05 0.19 -2.45 114.93 125.05 1y8b h MET 465 Ca -0.19 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 58.95 1y8b h MET 465 Cb 1.77 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.57 1y8b h MET 465 CO 0.08 0.54 -1.40 1.49 0.23 0.00 0.00 176.91 177.85 1y8b h GLU 466 N -0.58 0.22 0.00 0.39 4.22 -1.83 -3.39 114.58 113.61 1y8b h GLU 466 Ca -0.00 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.06 1y8b h GLU 466 Cb 0.56 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1y8b h GLU 466 CO 0.00 1.10 0.00 0.00 -2.18 0.00 0.00 179.01 177.94 1y8b n ALA 467 N -2.59 -0.44 -2.60 2.92 0.00 -1.25 -4.57 120.51 111.99 1y8b n ALA 467 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 1y8b n ALA 467 Cb 1.03 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.37 1y8b n ALA 467 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1y8b s GLY 468 N -1.12 1.93 0.80 0.00 0.00 -0.92 -4.97 107.32 103.05 1y8b s GLY 468 Ca 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 44.72 43.51 1y8b s GLY 468 CO 0.00 0.68 -0.18 -1.05 0.00 0.00 0.00 173.10 172.55 1y8b n PRO 469 N 5.06 0.03 -4.43 2.90 -0.02 -1.26 -4.45 135.00 132.82 1y8b n PRO 469 Ca -0.13 0.03 -0.25 0.00 -2.02 0.00 0.00 63.50 61.12 1y8b n PRO 469 Cb 0.52 -1.29 -0.11 0.00 -0.02 0.00 0.00 33.50 32.60 1y8b n PRO 469 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y8b s MET 470 N -2.12 1.56 0.00 -0.52 0.23 -1.26 -4.56 119.30 112.64 1y8b s MET 470 Ca 0.52 -1.62 0.00 0.00 -1.03 0.00 0.00 55.69 53.56 1y8b s MET 470 Cb -0.30 -1.76 0.00 0.00 -1.53 0.00 0.00 34.83 31.24 1y8b s MET 470 CO 0.71 0.36 0.00 -0.11 -2.03 0.00 0.00 175.02 173.95 1y8b n LEU 471 N -0.12 0.00 -0.57 0.18 0.00 -1.26 -4.81 117.00 110.42 1y8b n LEU 471 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 56.01 55.98 1y8b n LEU 471 Cb 0.58 0.00 0.10 0.00 0.00 0.00 0.00 43.42 44.10 1y8b n LEU 471 CO 0.33 0.00 0.52 -2.11 0.00 0.00 0.00 177.39 176.13 1y8b n ARG 472 N 0.00 1.58 0.11 1.96 0.00 -1.26 -3.25 116.66 115.81 1y8b n ARG 472 Ca 0.00 -1.58 0.05 0.00 -0.00 0.00 0.00 57.85 56.32 1y8b n ARG 472 Cb 0.00 -1.25 0.50 0.00 -0.00 0.00 0.00 32.46 31.70 1y8b n ARG 472 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1y8b h LYS 473 N 2.28 0.30 0.00 2.89 1.79 -1.96 -1.62 116.57 120.25 1y8b h LYS 473 Ca 0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1y8b h LYS 473 Cb 0.60 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1y8b h LYS 473 CO 0.00 0.23 -0.10 -0.97 -1.08 0.00 0.00 179.45 177.53 1y8b h ASN 474 N 0.31 0.00 -0.01 0.86 -0.73 -2.02 -3.28 115.58 110.72 1y8b h ASN 474 Ca 0.08 -0.66 0.00 0.00 1.87 0.00 0.00 56.30 57.59 1y8b h ASN 474 Cb 0.02 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.61 1y8b h ASN 474 CO -0.01 0.89 0.21 1.56 -0.37 0.00 0.00 177.43 179.71 1y8b h GLN 475 N -1.00 0.00 0.00 6.67 4.20 -1.80 -2.14 115.11 121.04 1y8b h GLN 475 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1y8b h GLN 475 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 1y8b h GLN 475 CO -0.01 0.00 0.68 0.52 -0.67 0.00 0.00 178.83 179.35 1y8b h MET 476 N 0.00 0.00 -0.63 1.46 2.86 -1.35 0.57 114.93 117.83 1y8b h MET 476 Ca 0.00 0.00 0.13 0.00 -2.06 0.00 0.00 59.70 57.77 1y8b h MET 476 Cb 0.43 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.99 1y8b h MET 476 CO -0.00 0.00 0.10 -0.22 1.06 0.00 0.00 176.91 177.85 1y8b h LYS 477 N 0.00 0.21 -1.53 1.72 3.64 -1.64 -3.37 116.57 115.60 1y8b h LYS 477 Ca 0.00 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.13 1y8b h LYS 477 Cb 1.37 -0.05 -0.26 0.00 -0.41 0.00 0.00 32.23 32.89 1y8b h LYS 477 CO 0.00 0.14 -0.59 -1.12 -2.27 0.00 0.00 179.45 175.61 1y8b s SER 478 N -5.26 -0.05 -0.41 4.20 0.01 0.19 -5.10 113.70 107.27 1y8b s SER 478 Ca -0.13 -1.30 -0.03 0.00 1.31 0.00 0.00 55.95 55.79 1y8b s SER 478 Cb 0.19 1.17 0.11 0.00 0.21 0.00 0.00 66.02 67.70 1y8b s SER 478 CO 0.74 -0.21 0.22 0.42 0.41 0.00 0.00 173.24 174.82 1y8b s THR 479 N 1.53 3.36 0.21 1.44 -4.23 -1.25 -4.98 115.64 111.73 1y8b s THR 479 Ca 0.17 -2.04 -0.09 0.00 -1.18 0.00 0.00 61.69 58.55 1y8b s THR 479 Cb -0.10 -3.30 0.17 0.00 1.34 0.00 0.00 72.50 70.61 1y8b s THR 479 CO -0.05 -0.70 1.71 -0.65 -0.54 0.00 0.00 174.62 174.39 1y8b h PRO 480 N 8.08 0.27 0.19 3.99 0.11 -1.98 -2.23 132.00 140.42 1y8b h PRO 480 Ca -0.14 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1y8b h PRO 480 Cb 1.05 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1y8b h PRO 480 CO 0.71 0.18 -0.09 0.11 -0.21 0.00 0.00 178.00 178.70 1y8b h TRP 481 N 0.28 -0.23 -0.68 0.65 5.08 -1.94 -2.41 115.95 116.69 1y8b h TRP 481 Ca 0.32 -0.01 0.15 0.00 1.08 0.00 0.00 58.89 60.43 1y8b h TRP 481 Cb 0.48 0.08 -0.12 0.00 -3.00 0.00 0.00 29.16 26.59 1y8b h TRP 481 CO -0.24 -0.14 -0.01 0.82 -1.28 0.00 0.00 178.44 177.60 1y8b h ILE 482 N -0.26 0.41 -0.84 0.12 1.08 -1.81 1.84 117.51 118.06 1y8b h ILE 482 Ca -0.03 -0.04 0.11 0.00 -0.39 0.00 0.00 64.86 64.52 1y8b h ILE 482 Cb 0.20 0.30 -0.06 0.00 -3.07 0.00 0.00 36.82 34.19 1y8b h ILE 482 CO 0.04 0.02 0.54 0.50 -0.69 0.00 0.00 178.15 178.57 1y8b h LYS 483 N 0.10 0.73 0.00 2.37 3.64 -1.02 0.43 116.57 122.82 1y8b h LYS 483 Ca 0.36 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 1y8b h LYS 483 Cb 0.61 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1y8b h LYS 483 CO -0.60 0.48 -0.59 0.00 -2.27 0.00 0.00 179.45 176.48 1y8b h ALA 484 N 1.59 0.12 0.16 5.00 0.00 0.71 -3.30 119.26 123.53 1y8b h ALA 484 Ca 0.40 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1y8b h ALA 484 Cb 0.51 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1y8b h ALA 484 CO -0.16 0.34 -0.39 -0.92 0.00 0.00 0.00 179.25 178.12 1y8b h TYR 485 N -1.00 -1.12 -0.53 0.00 5.03 0.27 0.31 116.97 119.93 1y8b h TYR 485 Ca -0.15 0.02 0.15 0.00 2.58 0.00 0.00 58.73 61.34 1y8b h TYR 485 Cb 1.03 0.47 -0.02 0.00 1.55 0.00 0.00 36.73 39.76 1y8b h TYR 485 CO 0.15 -0.46 0.87 0.93 -1.32 0.00 0.00 178.16 178.33 1y8b h GLU 486 N -0.61 0.00 0.14 1.82 5.08 -1.10 0.96 114.58 120.87 1y8b h GLU 486 Ca -0.01 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 1y8b h GLU 486 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1y8b h GLU 486 CO -0.17 0.00 -1.54 -0.09 -1.00 0.00 0.00 179.01 176.20 1y8b h ARG 487 N 0.00 0.29 0.11 2.33 9.65 -0.53 -3.36 114.38 122.87 1y8b h ARG 487 Ca 0.25 -0.50 -0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1y8b h ARG 487 Cb 2.00 0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 30.76 1y8b h ARG 487 CO -0.00 1.17 -0.07 -2.95 2.80 0.00 0.00 179.97 180.92 1y8b h ASN 488 N 0.08 -0.17 -1.17 -3.80 -1.07 0.24 -1.72 115.58 107.97 1y8b h ASN 488 Ca -0.25 0.01 0.33 0.00 0.07 0.00 0.00 56.30 56.46 1y8b h ASN 488 Cb 2.04 0.05 -0.09 0.00 -2.07 0.00 0.00 38.32 38.25 1y8b h ASN 488 CO 0.17 -0.11 0.77 0.78 0.07 0.00 0.00 177.43 179.11 1y8b h ASN 489 N -0.17 0.30 0.05 6.14 2.35 -1.67 1.97 115.58 124.55 1y8b h ASN 489 Ca -0.01 0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1y8b h ASN 489 Cb 0.15 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1y8b h ASN 489 CO 0.00 -0.00 -0.03 0.58 -1.65 0.00 0.00 177.43 176.34 1y8b h VAL 490 N 0.23 1.19 0.00 2.81 2.07 -1.46 -1.63 116.25 119.46 1y8b h VAL 490 Ca 0.66 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1y8b h VAL 490 Cb 1.99 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1y8b h VAL 490 CO -0.27 0.21 -0.03 -0.07 0.02 0.00 0.00 177.57 177.43 1y8b h LEU 491 N -0.44 0.00 0.00 2.57 3.38 -0.42 -3.19 115.31 117.20 1y8b h LEU 491 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1y8b h LEU 491 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1y8b h LEU 491 CO 0.01 0.03 -0.27 0.28 0.09 0.00 0.00 178.44 178.59 1y8b h SER 492 N 0.00 0.00 0.00 -0.43 0.02 0.30 -3.26 113.55 110.19 1y8b h SER 492 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1y8b h SER 492 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 1y8b h SER 492 CO 0.00 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1y8b n GLY 493 N 1.21 -0.45 0.25 -3.77 0.00 -0.62 -4.50 105.19 97.30 1y8b n GLY 493 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1y8b n GLY 493 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1y8b h LEU 494 N 0.00 0.41 -0.15 0.99 -0.00 -1.78 -2.72 115.31 112.06 1y8b h LEU 494 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.77 1y8b h LEU 494 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.55 1y8b h LEU 494 CO 0.00 0.60 0.00 0.33 -0.00 0.00 0.00 178.44 179.37 1y8b n PHE 495 N -4.19 0.00 -0.03 0.17 -0.00 -1.23 0.14 117.46 112.33 1y8b n PHE 495 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.45 57.44 1y8b n PHE 495 Cb 0.33 -0.01 -0.06 0.00 -0.00 0.00 0.00 39.48 39.75 1y8b n PHE 495 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1y8b n GLY 497 N 2.41 -0.10 0.12 0.00 0.00 -1.22 -4.64 105.19 101.76 1y8b n GLY 497 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1y8b n GLY 497 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1y8b h LEU 498 N 0.00 0.30 -1.81 0.99 4.07 -1.89 -3.42 115.31 113.56 1y8b h LEU 498 Ca 0.00 -0.81 -0.43 0.00 0.08 0.00 0.00 57.88 56.72 1y8b h LEU 498 Cb 0.00 -0.10 0.04 0.00 1.08 0.00 0.00 40.66 41.68 1y8b h LEU 498 CO 0.00 1.63 -0.84 0.54 -1.08 0.00 0.00 178.44 178.68 1y8b n ARG 499 N -3.96 -4.59 0.13 1.13 1.74 0.38 -4.66 116.66 106.82 1y8b n ARG 499 Ca -0.27 0.58 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 1y8b n ARG 499 Cb 0.87 -5.06 0.00 0.00 -1.02 0.00 0.00 32.46 27.26 1y8b n ARG 499 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y8b n GLY 500 N -1.65 -1.65 2.97 -0.13 0.00 -1.26 -4.92 105.19 98.56 1y8b n GLY 500 Ca -0.30 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1y8b n GLY 500 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y8b s LYS 501 N -1.98 0.13 -0.08 1.61 2.36 -1.26 -4.71 119.74 115.81 1y8b s LYS 501 Ca 0.00 0.43 -0.32 0.00 -2.55 0.00 0.00 55.97 53.54 1y8b s LYS 501 Cb 0.00 -0.16 0.13 0.00 -1.05 0.00 0.00 37.83 36.75 1y8b s LYS 501 CO 0.00 -0.17 1.39 0.00 1.55 0.00 0.00 175.35 178.12 1y8b s ALA 502 N 1.23 -2.54 -0.37 3.13 0.00 -1.26 -4.90 121.76 117.05 1y8b s ALA 502 Ca -0.09 0.68 -0.20 0.00 0.00 0.00 0.00 51.96 52.35 1y8b s ALA 502 Cb -0.11 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.47 1y8b s ALA 502 CO -0.07 -1.09 0.60 -0.65 0.00 0.00 0.00 175.76 174.55 1y8b s GLN 503 N -2.07 3.57 -0.33 0.00 1.11 -1.26 -4.99 119.66 115.68 1y8b s GLN 503 Ca 0.20 -0.11 0.01 0.00 0.01 0.00 0.00 55.36 55.47 1y8b s GLN 503 Cb 0.05 -3.84 0.08 0.00 -1.01 0.00 0.00 33.01 28.29 1y8b s GLN 503 CO -0.05 -0.78 0.04 0.42 0.01 0.00 0.00 175.29 174.94 1y8b s ILE 504 N 2.65 2.70 -0.28 1.08 -1.09 -1.26 -3.78 121.20 121.22 1y8b s ILE 504 Ca 0.22 -1.87 -0.23 0.00 -2.23 0.00 0.00 60.65 56.55 1y8b s ILE 504 Cb -0.15 -2.75 -0.00 0.00 -1.58 0.00 0.00 42.46 37.97 1y8b s ILE 504 CO 0.15 -0.37 0.76 -0.83 -1.23 0.00 0.00 174.94 173.42 1y8b s GLY 505 N 1.26 1.74 -0.13 6.18 0.00 -1.22 -1.10 107.32 114.06 1y8b s GLY 505 Ca 0.02 -0.38 0.19 0.00 0.00 0.00 0.00 44.72 44.55 1y8b s GLY 505 CO -0.05 1.69 1.17 1.17 0.00 0.00 0.00 173.10 177.09 1y8b n LYS 506 N 6.05 0.72 -0.18 2.90 4.81 -1.26 -2.97 118.16 128.23 1y8b n LYS 506 Ca 0.03 -2.20 -0.18 0.00 -0.87 0.00 0.00 58.31 55.09 1y8b n LYS 506 Cb 0.48 -0.36 0.17 0.00 0.02 0.00 0.00 35.03 35.34 1y8b n LYS 506 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y8b n GLY 507 N -0.20 -3.46 3.24 3.14 0.00 -1.26 -4.83 105.19 101.82 1y8b n GLY 507 Ca -0.03 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.71 1y8b n GLY 507 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1y8b s MET 508 N -4.01 1.02 0.98 1.61 -1.94 -1.26 -3.88 119.30 111.81 1y8b s MET 508 Ca 0.39 -1.33 -0.11 0.00 -1.71 0.00 0.00 55.69 52.93 1y8b s MET 508 Cb -0.07 -0.72 0.16 0.00 2.01 0.00 0.00 34.83 36.21 1y8b s MET 508 CO 0.33 0.11 1.01 1.87 -0.01 0.00 0.00 175.02 178.32 1y8b n TRP 509 N 0.17 0.13 -3.33 -0.03 -0.00 -1.26 -4.84 117.44 108.28 1y8b n TRP 509 Ca -0.13 0.27 -0.26 0.00 -0.00 0.00 0.00 57.50 57.38 1y8b n TRP 509 Cb 0.59 -1.91 -0.08 0.00 -0.00 0.00 0.00 31.31 29.92 1y8b n TRP 509 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1y8b n ALA 510 N -4.33 3.49 -0.30 5.87 0.00 -1.26 -4.96 120.51 119.02 1y8b n ALA 510 Ca 0.09 -4.28 -0.06 0.00 0.00 0.00 0.00 53.44 49.19 1y8b n ALA 510 Cb 0.53 -0.87 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1y8b n ALA 510 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1y8b h MET 511 N 4.09 -0.11 -1.02 0.00 4.05 -2.01 0.53 114.93 120.46 1y8b h MET 511 Ca 0.15 0.01 0.30 0.00 -0.28 0.00 0.00 59.70 59.88 1y8b h MET 511 Cb 0.74 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.52 1y8b h MET 511 CO 0.70 -0.07 0.84 -1.00 0.23 0.00 0.00 176.91 177.61 1y8b h PRO 512 N -0.11 0.00 0.00 0.39 0.13 -2.01 -3.43 132.00 126.97 1y8b h PRO 512 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1y8b h PRO 512 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1y8b h PRO 512 CO -0.83 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 173.47 1y8b n ASP 513 N -3.93 0.00 -4.53 1.44 2.03 0.18 -4.84 116.55 106.90 1y8b n ASP 513 Ca 0.22 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.11 1y8b n ASP 513 Cb 1.18 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.53 1y8b n ASP 513 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 1y8b n LEU 514 N 0.00 2.30 -0.22 -2.67 7.94 -1.26 -4.77 117.00 118.32 1y8b n LEU 514 Ca 0.00 -0.04 0.15 0.00 -1.11 0.00 0.00 56.01 55.01 1y8b n LEU 514 Cb 0.00 -1.43 0.46 0.00 0.53 0.00 0.00 43.42 42.98 1y8b n LEU 514 CO 0.00 -1.06 1.22 -0.03 -1.11 0.00 0.00 177.39 176.40 1y8b h MET 515 N 15.98 0.50 -0.79 1.96 1.85 -1.89 0.26 114.93 132.80 1y8b h MET 515 Ca -0.27 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.79 1y8b h MET 515 Cb 1.28 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 33.16 1y8b h MET 515 CO 1.10 0.33 0.50 0.00 -0.40 0.00 0.00 176.91 178.44 1y8b h ALA 516 N 1.62 1.01 0.00 0.39 0.00 -1.79 -2.14 119.26 118.35 1y8b h ALA 516 Ca 0.43 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.20 1y8b h ALA 516 Cb 0.89 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1y8b h ALA 516 CO -0.17 0.45 -0.31 0.22 0.00 0.00 0.00 179.25 179.44 1y8b h ASP 517 N 1.08 0.00 -0.56 0.00 3.58 -1.32 -3.22 116.42 115.98 1y8b h ASP 517 Ca 0.29 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1y8b h ASP 517 Cb -0.08 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1y8b h ASP 517 CO -0.06 0.31 0.24 -0.03 -2.88 0.00 0.00 179.24 176.82 1y8b h MET 518 N 0.00 0.87 0.00 0.28 4.05 -0.50 -1.78 114.93 117.85 1y8b h MET 518 Ca -0.00 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1y8b h MET 518 Cb 1.15 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1y8b h MET 518 CO 0.04 0.72 0.59 -0.92 0.23 0.00 0.00 176.91 177.56 1y8b h TYR 519 N 0.86 0.00 0.05 1.39 3.20 -1.53 1.13 116.97 122.07 1y8b h TYR 519 Ca 0.20 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.79 1y8b h TYR 519 Cb 0.17 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1y8b h TYR 519 CO 0.01 0.00 -1.50 0.77 -1.64 0.00 0.00 178.16 175.80 1y8b h SER 520 N 0.00 0.16 0.30 -2.11 0.02 -1.55 -3.14 113.55 107.22 1y8b h SER 520 Ca 0.00 -0.25 -0.33 0.00 -0.84 0.00 0.00 61.79 60.37 1y8b h SER 520 Cb 1.17 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1y8b h SER 520 CO 0.00 1.21 -1.79 1.56 -1.14 0.00 0.00 176.83 176.67 1y8b h GLN 521 N 0.03 0.22 -0.32 3.45 1.08 0.11 -3.23 115.11 116.45 1y8b h GLN 521 Ca -0.22 -0.37 -0.08 0.00 -1.45 0.00 0.00 58.65 56.53 1y8b h GLN 521 Cb 1.96 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 29.52 1y8b h GLN 521 CO 0.12 1.04 -0.12 0.87 -0.95 0.00 0.00 178.83 179.80 1y8b h LYS 522 N 0.06 0.64 -0.62 1.46 1.57 -1.24 0.41 116.57 118.85 1y8b h LYS 522 Ca -0.34 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.09 1y8b h LYS 522 Cb 2.03 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.29 1y8b h LYS 522 CO 0.12 0.84 0.05 0.78 -0.57 0.00 0.00 179.45 180.66 1y8b h GLY 523 N 0.40 1.15 1.74 3.86 0.00 -1.71 -2.78 103.07 105.73 1y8b h GLY 523 Ca 0.08 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.59 1y8b h GLY 523 CO 0.04 0.75 -0.24 -0.55 0.00 0.00 0.00 176.54 176.53 1y8b h ASP 524 N 0.97 0.00 -0.81 0.19 5.19 -1.56 -3.35 116.42 117.05 1y8b h ASP 524 Ca 0.18 -0.02 0.16 0.00 -0.62 0.00 0.00 57.03 56.73 1y8b h ASP 524 Cb 0.50 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.86 1y8b h ASP 524 CO 0.02 0.01 -0.24 -0.61 -3.12 0.00 0.00 179.24 175.31 1y8b h GLN 525 N 0.00 -0.02 -0.34 3.56 -0.00 0.12 1.96 115.11 120.39 1y8b h GLN 525 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.75 1y8b h GLN 525 Cb 0.92 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.39 1y8b h GLN 525 CO 0.00 -0.01 0.47 -0.07 0.00 0.00 0.00 178.83 179.22 1y8b h LEU 526 N -0.02 0.00 0.00 -2.39 3.38 -1.72 0.37 115.31 114.92 1y8b h LEU 526 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1y8b h LEU 526 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1y8b h LEU 526 CO -0.84 0.00 0.02 -1.14 0.09 0.00 0.00 178.44 176.56 1y8b n ARG 527 N -3.46 0.00 -0.00 1.13 3.00 0.66 -0.30 116.66 117.69 1y8b n ARG 527 Ca 0.06 0.20 0.02 0.00 -0.00 0.00 0.00 57.85 58.13 1y8b n ARG 527 Cb 0.62 -1.52 -0.03 0.00 0.00 0.00 0.00 32.46 31.54 1y8b n ARG 527 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y8b n ALA 528 N -1.18 2.26 0.00 5.13 0.00 0.13 -5.03 120.51 121.83 1y8b n ALA 528 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1y8b n ALA 528 Cb 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1y8b n ALA 528 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8b n GLY 529 N 1.87 0.71 3.09 0.00 0.00 0.59 -4.71 105.19 106.72 1y8b n GLY 529 Ca -0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1y8b n GLY 529 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y8b s ALA 530 N -1.13 1.72 0.00 4.61 0.00 -1.26 -4.76 121.76 120.94 1y8b s ALA 530 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1y8b s ALA 530 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1y8b s ALA 530 CO 0.00 0.04 0.00 0.09 0.00 0.00 0.00 175.76 175.89 1y8b n ASN 531 N 3.97 0.00 -3.70 0.00 4.13 -0.26 -4.46 115.26 114.94 1y8b n ASN 531 Ca -0.20 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 55.95 1y8b n ASN 531 Cb 0.52 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.64 1y8b n ASN 531 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1y8b s THR 532 N 0.00 -0.07 0.50 3.41 -1.32 -1.00 -4.95 115.64 112.21 1y8b s THR 532 Ca 0.00 0.12 0.05 0.00 -1.21 0.00 0.00 61.69 60.65 1y8b s THR 532 Cb 0.00 -0.52 -0.00 0.00 -1.51 0.00 0.00 72.50 70.47 1y8b s THR 532 CO 0.00 0.05 0.22 0.00 -2.21 0.00 0.00 174.62 172.69 1y8b s ALA 533 N 1.44 4.10 0.49 11.08 0.00 -1.26 -3.42 121.76 134.19 1y8b s ALA 533 Ca -0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 1y8b s ALA 533 Cb -0.09 -0.41 -0.00 0.00 0.00 0.00 0.00 23.12 22.61 1y8b s ALA 533 CO -0.11 -0.24 0.74 1.67 0.00 0.00 0.00 175.76 177.81 1y8b s TRP 534 N -2.75 3.24 0.02 0.00 -2.14 -1.26 -2.36 118.94 113.69 1y8b s TRP 534 Ca 0.28 0.36 -0.01 0.00 2.66 0.00 0.00 56.10 59.39 1y8b s TRP 534 Cb 0.01 -2.43 -0.02 0.00 -3.10 0.00 0.00 33.47 27.93 1y8b s TRP 534 CO 0.16 -0.49 -0.01 0.14 -2.66 0.00 0.00 176.95 174.10 1y8b s VAL 535 N -2.68 0.10 -1.44 -0.66 -7.23 -1.03 -4.78 120.40 102.68 1y8b s VAL 535 Ca 0.50 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.81 1y8b s VAL 535 Cb -0.10 -0.28 0.00 0.00 0.56 0.00 0.00 36.38 36.56 1y8b s VAL 535 CO 0.40 -0.47 0.67 -0.81 -0.31 0.00 0.00 175.10 174.58 1y8b n PRO 536 N 1.61 0.93 -3.97 4.82 -0.04 -1.26 -4.06 135.00 133.03 1y8b n PRO 536 Ca -0.24 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.09 1y8b n PRO 536 Cb 0.55 -1.26 -0.14 0.00 -0.04 0.00 0.00 33.50 32.61 1y8b n PRO 536 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1y8b s SER 537 N -0.51 0.24 0.49 3.54 1.04 -1.26 -2.95 113.70 114.28 1y8b s SER 537 Ca 0.00 -0.03 0.28 0.00 0.48 0.00 0.00 55.95 56.68 1y8b s SER 537 Cb 0.00 -0.03 0.96 0.00 0.10 0.00 0.00 66.02 67.04 1y8b s SER 537 CO 0.00 0.02 1.83 1.55 0.98 0.00 0.00 173.24 177.62 1y8b h PRO 538 N 6.16 0.00 0.00 4.02 0.13 -1.93 -3.08 132.00 137.30 1y8b h PRO 538 Ca -0.26 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 1y8b h PRO 538 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1y8b h PRO 538 CO 0.51 0.06 -1.07 1.79 -0.23 0.00 0.00 178.00 179.06 1y8b h THR 539 N 0.00 0.51 -0.14 1.56 1.35 -1.96 -3.34 112.91 110.89 1y8b h THR 539 Ca -0.00 -1.88 -0.16 0.00 -0.55 0.00 0.00 66.41 63.81 1y8b h THR 539 Cb 0.72 2.06 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 1y8b h THR 539 CO 0.01 0.29 -0.60 0.00 -0.25 0.00 0.00 175.52 174.97 1y8b h ALA 540 N 1.54 0.70 0.60 6.62 0.00 -1.87 -3.17 119.26 123.69 1y8b h ALA 540 Ca -0.09 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 1y8b h ALA 540 Cb 1.43 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.15 1y8b h ALA 540 CO 0.04 0.71 -0.29 0.00 0.00 0.00 0.00 179.25 179.71 1y8b h ALA 541 N 1.00 -0.81 -0.96 0.00 0.00 -1.68 0.56 119.26 117.38 1y8b h ALA 541 Ca -0.00 -0.20 0.25 0.00 0.00 0.00 0.00 54.91 54.96 1y8b h ALA 541 Cb 1.14 0.31 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 1y8b h ALA 541 CO 0.11 -0.90 0.49 1.79 0.00 0.00 0.00 179.25 180.74 1y8b h THR 542 N -0.92 0.44 0.04 0.00 1.35 -1.69 -0.25 112.91 111.89 1y8b h THR 542 Ca -0.08 -0.15 -0.14 0.00 -0.55 0.00 0.00 66.41 65.49 1y8b h THR 542 Cb 0.66 -0.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.06 1y8b h THR 542 CO 0.14 0.08 -0.56 -0.07 -0.25 0.00 0.00 175.52 174.86 1y8b h LEU 543 N 0.43 0.43 -1.93 3.87 3.38 -1.46 -3.21 115.31 116.83 1y8b h LEU 543 Ca 0.63 -0.82 0.24 0.00 0.09 0.00 0.00 57.88 58.02 1y8b h LEU 543 Cb 1.27 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 1y8b h LEU 543 CO -0.54 1.21 0.61 -0.74 0.09 0.00 0.00 178.44 179.07 1y8b h HIS 544 N -0.29 0.08 -0.63 1.13 2.76 0.18 0.15 115.15 118.53 1y8b h HIS 544 Ca -0.08 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.02 1y8b h HIS 544 Cb 1.32 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 30.23 1y8b h HIS 544 CO 0.17 0.02 0.12 0.00 -1.30 0.00 0.00 177.93 176.94 1y8b h ALA 545 N 1.58 0.83 0.00 5.26 0.00 -1.19 -2.70 119.26 123.05 1y8b h ALA 545 Ca 0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1y8b h ALA 545 Cb 1.56 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1y8b h ALA 545 CO -0.03 0.58 -0.20 -0.07 0.00 0.00 0.00 179.25 179.53 1y8b h LEU 546 N 0.94 0.00 0.06 0.00 4.07 -0.86 -2.91 115.31 116.61 1y8b h LEU 546 Ca 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.15 1y8b h LEU 546 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 1y8b h LEU 546 CO 0.01 0.06 -0.03 0.45 -1.08 0.00 0.00 178.44 177.85 1y8b h HIS 547 N 0.00 -0.07 0.00 1.13 3.86 -0.88 -3.23 115.15 115.96 1y8b h HIS 547 Ca -0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1y8b h HIS 547 Cb 1.05 0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.54 1y8b h HIS 547 CO 0.00 0.40 -0.14 0.10 0.86 0.00 0.00 177.93 179.14 1y8b h TYR 548 N -0.59 0.00 -0.99 2.45 -0.00 -1.62 -3.27 116.97 112.95 1y8b h TYR 548 Ca -0.01 0.00 0.27 0.00 0.00 0.00 0.00 58.73 58.99 1y8b h TYR 548 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 36.73 37.10 1y8b h TYR 548 CO 0.09 0.14 0.56 1.25 -0.00 0.00 0.00 178.16 180.20 1y8b h HIS 549 N 0.00 0.94 -1.27 0.10 2.76 -1.52 0.59 115.15 116.75 1y8b h HIS 549 Ca -0.00 0.04 0.37 0.00 -2.20 0.00 0.00 60.37 58.57 1y8b h HIS 549 Cb 1.03 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.69 1y8b h HIS 549 CO 0.00 -0.03 0.99 0.37 -1.30 0.00 0.00 177.93 177.96 1y8b h GLN 550 N 0.47 0.00 -4.26 5.26 4.15 -1.68 -3.35 115.11 115.71 1y8b h GLN 550 Ca 0.67 0.00 -0.50 0.00 0.77 0.00 0.00 58.65 59.59 1y8b h GLN 550 Cb 1.36 0.00 -0.36 0.00 0.21 0.00 0.00 27.48 28.70 1y8b h GLN 550 CO -0.53 0.00 -0.80 0.95 -1.93 0.00 0.00 178.83 176.52 1y8b s THR 551 N -4.82 0.95 0.22 2.39 -4.23 0.21 -5.12 115.64 105.24 1y8b s THR 551 Ca -0.05 -0.29 -0.30 0.00 -1.18 0.00 0.00 61.69 59.87 1y8b s THR 551 Cb 0.22 -0.94 -0.09 0.00 1.34 0.00 0.00 72.50 73.03 1y8b s THR 551 CO 0.75 0.34 1.14 0.20 -0.54 0.00 0.00 174.62 176.51 1y8b s ASN 552 N 1.30 7.18 0.22 3.99 0.02 -1.26 -4.90 114.94 121.49 1y8b s ASN 552 Ca -0.03 2.23 0.26 0.00 -1.02 0.00 0.00 52.86 54.30 1y8b s ASN 552 Cb -0.14 -2.62 0.82 0.00 0.02 0.00 0.00 41.25 39.34 1y8b s ASN 552 CO -0.03 -0.26 1.77 1.33 0.02 0.00 0.00 177.10 179.93 1y8b n VAL 553 N 1.92 0.62 0.11 1.60 0.24 -1.26 -3.23 118.33 118.33 1y8b n VAL 553 Ca 0.02 -0.24 -0.02 0.00 -2.04 0.00 0.00 64.34 62.05 1y8b n VAL 553 Cb 0.45 -0.63 0.05 0.00 -1.47 0.00 0.00 33.84 32.23 1y8b n VAL 553 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1y8b h GLN 554 N 0.00 0.00 0.16 7.34 4.20 -1.92 -2.98 115.11 121.91 1y8b h GLN 554 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 1y8b h GLN 554 Cb 0.71 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.50 1y8b h GLN 554 CO 0.00 0.73 -1.41 0.77 -0.67 0.00 0.00 178.83 178.25 1y8b h SER 555 N 0.00 0.53 -0.04 1.46 0.02 -1.95 -2.66 113.55 110.90 1y8b h SER 555 Ca -0.01 -0.90 0.01 0.00 -0.84 0.00 0.00 61.79 60.05 1y8b h SER 555 Cb 1.40 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1y8b h SER 555 CO 0.09 1.64 -0.03 0.58 -1.14 0.00 0.00 176.83 177.98 1y8b h VAL 556 N -0.14 0.92 -0.18 2.27 2.07 -1.63 -2.16 116.25 117.39 1y8b h VAL 556 Ca -0.28 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.13 1y8b h VAL 556 Cb 1.89 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 1y8b h VAL 556 CO 0.14 0.00 -0.36 0.06 0.02 0.00 0.00 177.57 177.43 1y8b h GLN 557 N -0.03 0.39 -0.63 1.57 3.07 -1.67 -2.82 115.11 114.99 1y8b h GLN 557 Ca 0.03 -0.17 0.04 0.00 0.09 0.00 0.00 58.65 58.63 1y8b h GLN 557 Cb 0.07 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 27.58 1y8b h GLN 557 CO -0.06 0.70 0.42 0.00 0.09 0.00 0.00 178.83 179.97 1y8b h ALA 558 N 1.29 1.68 0.16 0.06 0.00 -1.06 1.49 119.26 122.88 1y8b h ALA 558 Ca 0.04 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1y8b h ALA 558 Cb 0.79 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1y8b h ALA 558 CO 0.06 0.25 -0.08 -0.97 0.00 0.00 0.00 179.25 178.52 1y8b h ASN 559 N 0.73 -0.18 1.42 0.00 -0.73 -1.15 -2.83 115.58 112.84 1y8b h ASN 559 Ca 0.25 -0.33 -0.07 0.00 1.87 0.00 0.00 56.30 58.03 1y8b h ASN 559 Cb 0.10 0.05 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1y8b h ASN 559 CO -0.07 0.28 -0.32 0.16 -0.37 0.00 0.00 177.43 177.11 1y8b h ILE 560 N -0.69 0.60 -0.05 2.57 3.07 -1.43 -3.18 117.51 118.40 1y8b h ILE 560 Ca -0.02 -1.65 -0.10 0.00 1.55 0.00 0.00 64.86 64.65 1y8b h ILE 560 Cb 0.50 2.14 -0.01 0.00 -0.27 0.00 0.00 36.82 39.18 1y8b h ILE 560 CO 0.04 0.31 -0.41 0.00 -1.05 0.00 0.00 178.15 177.04 1y8b h ALA 561 N 1.68 1.23 -0.41 0.16 0.00 0.21 -2.55 119.26 119.58 1y8b h ALA 561 Ca -0.00 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1y8b h ALA 561 Cb 1.12 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 1y8b h ALA 561 CO 0.04 0.55 0.16 1.04 0.00 0.00 0.00 179.25 181.04 1y8b n GLN 562 N -4.04 2.47 -2.93 0.00 3.00 -1.07 -4.91 117.38 109.90 1y8b n GLN 562 Ca -0.02 -1.67 -0.20 0.00 -0.01 0.00 0.00 57.00 55.11 1y8b n GLN 562 Cb 0.46 -1.79 0.06 0.00 0.00 0.00 0.00 30.24 28.97 1y8b n GLN 562 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1y8b s THR 563 N -1.87 2.31 -0.34 5.09 -1.32 -0.96 -5.07 115.64 113.48 1y8b s THR 563 Ca 0.30 -0.91 -0.17 0.00 -1.21 0.00 0.00 61.69 59.70 1y8b s THR 563 Cb 0.24 -2.39 -0.01 0.00 -1.51 0.00 0.00 72.50 68.83 1y8b s THR 563 CO 0.07 0.00 0.44 -1.61 -2.21 0.00 0.00 174.62 171.31 1y8b s GLU 564 N -4.71 3.64 -0.09 7.08 2.02 -1.26 -4.96 118.70 120.42 1y8b s GLU 564 Ca 0.61 -0.25 -0.19 0.00 0.02 0.00 0.00 54.97 55.16 1y8b s GLU 564 Cb -0.07 -3.79 -0.16 0.00 0.10 0.00 0.00 34.13 30.21 1y8b s GLU 564 CO 0.39 -0.56 0.68 0.27 0.02 0.00 0.00 175.26 176.06 1y8b h PHE 565 N 8.43 -0.09 0.00 1.61 -0.00 -1.96 -3.14 116.94 121.79 1y8b h PHE 565 Ca -0.29 -0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.68 1y8b h PHE 565 Cb 1.14 0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.12 1y8b h PHE 565 CO 0.71 0.44 0.68 -2.95 -0.00 0.00 0.00 178.31 177.19 1y8b h ASN 566 N -0.92 0.00 0.01 -0.68 -1.07 -1.97 1.18 115.58 112.13 1y8b h ASN 566 Ca -0.01 0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.31 1y8b h ASN 566 Cb 0.57 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1y8b h ASN 566 CO 0.02 0.00 -0.27 0.00 0.07 0.00 0.00 177.43 177.25 1y8b h ALA 567 N 0.62 0.03 -0.00 4.14 0.00 -1.97 -3.32 119.26 118.76 1y8b h ALA 567 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1y8b h ALA 567 Cb 1.37 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1y8b h ALA 567 CO 0.00 0.14 -0.21 0.39 0.00 0.00 0.00 179.25 179.57 1y8b n GLU 568 N -4.53 0.35 0.26 0.00 -0.58 0.11 -3.84 120.64 112.41 1y8b n GLU 568 Ca -0.14 -0.14 0.17 0.00 -0.42 0.00 0.00 57.16 56.64 1y8b n GLU 568 Cb 0.55 -1.50 0.92 0.00 -0.57 0.00 0.00 31.44 30.84 1y8b n GLU 568 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1y8b h PHE 569 N 0.33 0.00 0.00 -0.32 3.57 0.11 -1.15 116.94 119.48 1y8b h PHE 569 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1y8b h PHE 569 Cb 0.44 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1y8b h PHE 569 CO 0.00 0.00 -0.16 0.93 -2.23 0.00 0.00 178.31 176.85 1y8b h GLU 570 N 0.00 0.00 0.00 1.11 4.39 -1.78 -3.37 114.58 114.93 1y8b h GLU 570 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y8b h GLU 570 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1y8b h GLU 570 CO 0.00 0.19 0.00 -2.30 -1.16 0.00 0.00 179.01 175.74 1y8b n PRO 571 N -4.71 0.16 0.41 2.33 -0.02 -1.17 -3.92 135.00 128.08 1y8b n PRO 571 Ca -0.04 0.27 -0.16 0.00 -2.02 0.00 0.00 63.50 61.55 1y8b n PRO 571 Cb 0.15 -1.74 -0.08 0.00 -0.02 0.00 0.00 33.50 31.82 1y8b n PRO 571 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1y8b h LEU 572 N 0.00 -0.88 -0.52 2.45 5.85 -1.36 -2.75 115.31 118.09 1y8b h LEU 572 Ca 0.00 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1y8b h LEU 572 Cb 0.49 0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 1y8b h LEU 572 CO 0.00 -0.63 -0.01 0.25 -0.34 0.00 0.00 178.44 177.71 1y8b h LEU 573 N -1.04 -0.25 -1.79 2.25 6.46 -1.75 0.26 115.31 119.45 1y8b h LEU 573 Ca -0.11 0.13 0.35 0.00 -0.12 0.00 0.00 57.88 58.13 1y8b h LEU 573 Cb 0.79 0.23 -0.07 0.00 -0.73 0.00 0.00 40.66 40.89 1y8b h LEU 573 CO 0.17 -0.09 0.84 -0.78 -0.62 0.00 0.00 178.44 177.96 1y8b h ASP 574 N 0.10 0.13 0.13 1.25 1.82 -1.68 0.69 116.42 118.87 1y8b h ASP 574 Ca 0.26 0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.74 1y8b h ASP 574 Cb 0.40 0.01 0.02 0.00 0.68 0.00 0.00 39.33 40.44 1y8b h ASP 574 CO -0.45 0.01 -0.89 0.44 -1.61 0.00 0.00 179.24 176.74 1y8b h ASP 575 N 0.11 0.45 -0.99 2.28 3.32 -0.21 -3.26 116.42 118.11 1y8b h ASP 575 Ca 0.62 -0.94 0.29 0.00 0.02 0.00 0.00 57.03 57.02 1y8b h ASP 575 Cb 2.19 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 41.56 1y8b h ASP 575 CO -0.11 1.42 0.87 -0.07 -1.72 0.00 0.00 179.24 179.62 1y8b h LEU 576 N -0.38 0.00 0.00 1.55 3.38 -0.11 -3.39 115.31 116.35 1y8b h LEU 576 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1y8b h LEU 576 Cb 1.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.40 1y8b h LEU 576 CO 0.13 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.84 1y8b n LEU 577 N -3.81 0.00 -1.18 1.67 4.32 -1.07 -4.97 117.00 111.96 1y8b n LEU 577 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 1y8b n LEU 577 Cb 1.20 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 43.00 1y8b n LEU 577 CO 0.33 -0.04 -0.10 0.35 -1.22 0.00 0.00 177.39 176.71 1y8b n THR 578 N -0.09 -4.32 -3.01 -5.08 -2.24 -1.26 -4.96 114.28 93.33 1y8b n THR 578 Ca 0.00 0.65 -0.40 0.00 -2.27 0.00 0.00 64.05 62.03 1y8b n THR 578 Cb 0.00 -3.45 -0.05 0.00 -2.10 0.00 0.00 70.33 64.73 1y8b n THR 578 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1y8b s ILE 579 N -0.12 5.01 -0.64 2.28 -1.16 -1.26 -4.95 121.20 120.36 1y8b s ILE 579 Ca 0.00 1.47 -0.06 0.00 -0.51 0.00 0.00 60.65 61.55 1y8b s ILE 579 Cb 0.00 -4.06 -0.15 0.00 0.61 0.00 0.00 42.46 38.87 1y8b s ILE 579 CO 0.00 0.20 2.80 -0.81 -2.81 0.00 0.00 174.94 174.32 1y8b n PRO 580 N 4.13 2.27 -2.45 3.50 -0.04 -1.26 -4.72 135.00 136.43 1y8b n PRO 580 Ca -0.00 -1.32 -0.27 0.00 -0.04 0.00 0.00 63.50 61.87 1y8b n PRO 580 Cb 0.51 -2.26 0.02 0.00 -0.04 0.00 0.00 33.50 31.72 1y8b n PRO 580 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1y8b s VAL 581 N 2.05 4.23 0.66 0.52 0.11 -1.26 -4.05 120.40 122.65 1y8b s VAL 581 Ca 0.55 0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.61 1y8b s VAL 581 Cb 0.20 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 1y8b s VAL 581 CO -0.02 -0.67 1.07 0.00 -3.33 0.00 0.00 175.10 172.15 1y8b s ALA 582 N -2.90 2.64 0.00 1.54 0.00 -1.20 -4.79 121.76 117.04 1y8b s ALA 582 Ca 0.51 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1y8b s ALA 582 Cb -0.10 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.79 1y8b s ALA 582 CO 0.46 -1.12 0.00 -1.91 0.00 0.00 0.00 175.76 173.19 1y8b n GLU 583 N -2.66 0.48 0.00 0.00 2.13 -1.26 -4.94 120.64 114.39 1y8b n GLU 583 Ca 0.08 -0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.90 1y8b n GLU 583 Cb 0.53 -0.05 0.00 0.00 0.27 0.00 0.00 31.44 32.19 1y8b n GLU 583 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1y8b n ASN 584 N -0.07 0.03 0.00 4.31 5.03 -1.26 -5.13 115.26 118.17 1y8b n ASN 584 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1y8b n ASN 584 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1y8b n ASN 584 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y8b n ALA 585 N -3.00 0.00 -1.91 5.41 0.00 -1.26 -5.09 120.51 114.67 1y8b n ALA 585 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1y8b n ALA 585 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1y8b n ALA 585 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y8b n ASN 586 N 0.00 -0.63 -4.71 0.00 4.13 -1.26 -5.11 115.26 107.68 1y8b n ASN 586 Ca 0.00 -1.48 -0.42 0.00 1.68 0.00 0.00 54.58 54.36 1y8b n ASN 586 Cb 0.00 0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 1y8b n ASN 586 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1y8b s TRP 587 N 0.00 2.77 0.48 3.10 0.52 -1.26 -4.96 118.94 119.60 1y8b s TRP 587 Ca 0.00 0.45 -0.21 0.00 0.02 0.00 0.00 56.10 56.36 1y8b s TRP 587 Cb 0.00 -3.98 -0.08 0.00 -1.15 0.00 0.00 33.47 28.26 1y8b s TRP 587 CO 0.00 -3.77 1.08 -1.12 0.02 0.00 0.00 176.95 173.16 1y8b s SER 588 N 1.67 6.26 0.46 2.95 0.01 -1.26 -4.85 113.70 118.93 1y8b s SER 588 Ca 0.73 2.05 0.20 0.00 1.31 0.00 0.00 55.95 60.24 1y8b s SER 588 Cb -0.43 -2.57 1.18 0.00 0.21 0.00 0.00 66.02 64.41 1y8b s SER 588 CO 0.32 -0.84 1.91 0.00 0.41 0.00 0.00 173.24 175.04 1y8b h ALA 589 N 1.71 2.32 -0.09 1.44 0.00 -1.97 -0.70 119.26 121.97 1y8b h ALA 589 Ca -0.49 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 1y8b h ALA 589 Cb 1.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1y8b h ALA 589 CO 0.59 -0.55 -0.43 1.96 0.00 0.00 0.00 179.25 180.83 1y8b h GLN 590 N 0.28 0.45 0.27 0.00 4.20 -1.98 -1.89 115.11 116.45 1y8b h GLN 590 Ca 0.39 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1y8b h GLN 590 Cb 1.10 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 1y8b h GLN 590 CO -0.10 1.00 -0.31 1.49 -0.67 0.00 0.00 178.83 180.23 1y8b h GLU 591 N 0.02 -0.58 0.04 1.46 4.81 -1.51 0.80 114.58 119.63 1y8b h GLU 591 Ca -0.03 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1y8b h GLU 591 Cb 1.07 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1y8b h GLU 591 CO 0.09 -0.38 -0.36 -0.84 -0.73 0.00 0.00 179.01 176.78 1y8b h ILE 592 N -0.60 0.24 -0.99 2.32 3.07 -1.53 0.48 117.51 120.51 1y8b h ILE 592 Ca -0.03 0.00 0.20 0.00 1.55 0.00 0.00 64.86 66.58 1y8b h ILE 592 Cb 0.53 0.24 -0.11 0.00 -0.27 0.00 0.00 36.82 37.20 1y8b h ILE 592 CO -0.06 0.00 0.58 1.56 -1.05 0.00 0.00 178.15 179.18 1y8b h GLN 593 N -0.55 0.67 0.23 0.16 1.08 -1.14 2.43 115.11 117.99 1y8b h GLN 593 Ca 0.05 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1y8b h GLN 593 Cb 0.61 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1y8b h GLN 593 CO -0.26 0.44 -0.11 0.37 -0.95 0.00 0.00 178.83 178.32 1y8b h GLN 594 N 0.69 -0.30 -0.59 1.46 5.75 0.25 -2.18 115.11 120.19 1y8b h GLN 594 Ca 0.59 0.02 -0.10 0.00 -0.15 0.00 0.00 58.65 59.00 1y8b h GLN 594 Cb 0.97 0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1y8b h GLN 594 CO -0.41 0.06 -0.04 0.93 -2.65 0.00 0.00 178.83 176.72 1y8b h GLU 595 N -0.74 1.06 0.03 1.69 3.07 0.86 -2.87 114.58 117.68 1y8b h GLU 595 Ca -0.03 -0.36 0.03 0.00 -0.50 0.00 0.00 59.36 58.50 1y8b h GLU 595 Cb 0.50 -0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.28 1y8b h GLU 595 CO 0.05 1.06 -0.28 1.25 -1.40 0.00 0.00 179.01 179.69 1y8b h LEU 596 N 0.96 -0.82 -0.21 1.33 5.85 0.41 -1.14 115.31 121.68 1y8b h LEU 596 Ca 0.16 0.11 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1y8b h LEU 596 Cb 0.61 0.33 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 1y8b h LEU 596 CO 0.04 -0.35 -0.42 0.44 -0.34 0.00 0.00 178.44 177.80 1y8b h ASP 597 N -0.44 -1.35 -1.05 1.25 5.19 -1.30 0.34 116.42 119.07 1y8b h ASP 597 Ca 0.06 0.19 0.28 0.00 -0.62 0.00 0.00 57.03 56.93 1y8b h ASP 597 Cb 0.51 0.56 -0.11 0.00 0.18 0.00 0.00 39.33 40.48 1y8b h ASP 597 CO -0.22 -0.41 0.66 -1.13 -3.12 0.00 0.00 179.24 175.02 1y8b h ASN 598 N -0.44 0.48 0.35 6.45 -1.24 -1.21 0.53 115.58 120.51 1y8b h ASN 598 Ca 0.09 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 1y8b h ASN 598 Cb 0.61 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.70 1y8b h ASN 598 CO -0.45 0.06 -0.17 0.78 -1.29 0.00 0.00 177.43 176.36 1y8b h ASN 599 N 0.41 -0.40 -0.87 1.15 -0.26 0.80 -3.07 115.58 113.34 1y8b h ASN 599 Ca 0.63 0.01 0.17 0.00 -0.56 0.00 0.00 56.30 56.56 1y8b h ASN 599 Cb 1.54 0.10 -0.10 0.00 -1.06 0.00 0.00 38.32 38.80 1y8b h ASN 599 CO -0.36 -0.05 0.44 0.58 -1.06 0.00 0.00 177.43 176.98 1y8b h VAL 600 N -0.94 0.66 -0.65 2.81 2.07 -0.11 0.21 116.25 120.30 1y8b h VAL 600 Ca -0.05 -0.20 0.13 0.00 0.82 0.00 0.00 66.70 67.41 1y8b h VAL 600 Cb 0.36 0.03 -0.12 0.00 -1.52 0.00 0.00 31.29 30.04 1y8b h VAL 600 CO 0.08 0.10 -0.11 -0.61 0.02 0.00 0.00 177.57 177.06 1y8b h GLN 601 N 0.57 0.03 0.00 1.57 5.75 0.01 1.12 115.11 124.16 1y8b h GLN 601 Ca 0.50 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.00 1y8b h GLN 601 Cb 0.79 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1y8b h GLN 601 CO -0.41 0.02 0.00 0.78 -2.65 0.00 0.00 178.83 176.57 1y8b h GLY 602 N 0.03 0.00 0.00 2.39 0.00 -0.85 -2.50 103.07 102.14 1y8b h GLY 602 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1y8b h GLY 602 CO -0.64 0.00 -0.41 -2.22 0.00 0.00 0.00 176.54 173.28 1y8b h ILE 603 N 0.00 0.00 -0.79 2.60 2.04 0.14 -3.11 117.51 118.38 1y8b h ILE 603 Ca 0.00 -0.91 0.14 0.00 1.00 0.00 0.00 64.86 65.09 1y8b h ILE 603 Cb 0.09 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.07 1y8b h ILE 603 CO 0.00 0.00 0.36 -0.07 0.00 0.00 0.00 178.15 178.44 1y8b h LEU 604 N -0.91 0.39 -0.32 1.44 3.38 -1.28 1.12 115.31 119.13 1y8b h LEU 604 Ca 0.00 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 1y8b h LEU 604 Cb 0.41 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1y8b h LEU 604 CO 0.00 0.16 -0.17 1.23 0.09 0.00 0.00 178.44 179.75 1y8b h GLY 605 N 0.53 0.73 1.88 0.83 0.00 -1.64 0.32 103.07 105.72 1y8b h GLY 605 Ca 0.43 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 1y8b h GLY 605 CO -0.38 0.61 -0.69 -0.97 0.00 0.00 0.00 176.54 175.11 1y8b h TYR 606 N 0.44 0.15 0.03 5.60 -1.99 -1.24 -2.08 116.97 117.88 1y8b h TYR 606 Ca 0.07 -0.07 -0.00 0.00 2.00 0.00 0.00 58.73 60.73 1y8b h TYR 606 Cb 0.71 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.42 1y8b h TYR 606 CO 0.06 0.76 -0.01 0.28 -0.00 0.00 0.00 178.16 179.25 1y8b h VAL 607 N 0.08 1.35 -0.57 -2.88 2.07 0.14 0.50 116.25 116.94 1y8b h VAL 607 Ca -0.01 -1.82 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1y8b h VAL 607 Cb 1.22 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 33.42 1y8b h VAL 607 CO 0.10 0.42 0.38 1.62 0.02 0.00 0.00 177.57 180.11 1y8b h VAL 608 N -0.91 1.13 0.00 2.57 3.04 -0.43 0.12 116.25 121.76 1y8b h VAL 608 Ca -0.00 -0.26 -0.24 0.00 -1.01 0.00 0.00 66.70 65.19 1y8b h VAL 608 Cb 0.72 0.32 -0.04 0.00 -2.01 0.00 0.00 31.29 30.28 1y8b h VAL 608 CO 0.01 0.14 -1.29 -0.09 -1.01 0.00 0.00 177.57 175.32 1y8b h ARG 609 N 0.74 0.00 0.06 4.17 9.65 -1.45 -2.89 114.38 124.67 1y8b h ARG 609 Ca 0.21 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1y8b h ARG 609 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 1y8b h ARG 609 CO -0.05 0.78 -0.03 2.35 2.80 0.00 0.00 179.97 185.82 1y8b h TRP 610 N 0.00 -0.08 -0.04 2.20 2.91 -0.32 0.27 115.95 120.89 1y8b h TRP 610 Ca -0.12 -0.00 -0.04 0.00 1.13 0.00 0.00 58.89 59.86 1y8b h TRP 610 Cb 1.86 0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 30.53 1y8b h TRP 610 CO 0.00 0.21 -0.15 0.28 -1.03 0.00 0.00 178.44 177.75 1y8b h VAL 611 N -1.00 1.13 0.10 2.65 2.07 -0.97 3.12 116.25 123.36 1y8b h VAL 611 Ca -0.01 -0.61 -0.34 0.00 0.82 0.00 0.00 66.70 66.56 1y8b h VAL 611 Cb 0.33 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1y8b h VAL 611 CO 0.01 0.18 -1.83 -0.08 0.02 0.00 0.00 177.57 175.88 1y8b h GLU 612 N 0.06 0.21 0.00 1.57 4.57 -1.61 -3.41 114.58 115.96 1y8b h GLU 612 Ca 0.01 -0.35 0.00 0.00 -1.18 0.00 0.00 59.36 57.84 1y8b h GLU 612 Cb 0.31 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1y8b h GLU 612 CO 0.02 1.03 -0.47 0.94 -1.18 0.00 0.00 179.01 179.35 1y8b n GLN 613 N -3.38 3.22 -3.47 1.92 7.27 0.77 -5.04 117.38 118.67 1y8b n GLN 613 Ca -0.25 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.60 1y8b n GLN 613 Cb 1.05 -0.70 0.04 0.00 2.41 0.00 0.00 30.24 33.04 1y8b n GLN 613 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1y8b n GLY 614 N 1.56 -1.11 3.75 1.69 0.00 1.04 -4.92 105.19 107.21 1y8b n GLY 614 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 1y8b n GLY 614 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y8b s ILE 615 N -3.34 4.39 -0.08 -0.61 -1.09 -1.25 -4.57 121.20 114.65 1y8b s ILE 615 Ca 0.37 -0.81 0.21 0.00 -2.23 0.00 0.00 60.65 58.19 1y8b s ILE 615 Cb -0.10 -3.11 -0.31 0.00 -1.58 0.00 0.00 42.46 37.36 1y8b s ILE 615 CO 0.81 0.13 0.35 0.61 -1.23 0.00 0.00 174.94 175.62 1y8b n GLY 616 N 0.52 -0.99 2.65 6.18 0.00 -1.26 -4.80 105.19 107.50 1y8b n GLY 616 Ca -0.09 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1y8b n GLY 616 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y8b s SER 618 N 1.86 -0.04 -0.28 0.00 0.15 -1.26 -5.04 113.70 109.09 1y8b s SER 618 Ca 0.08 0.11 -0.29 0.00 0.70 0.00 0.00 55.95 56.55 1y8b s SER 618 Cb -0.17 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1y8b s SER 618 CO -0.26 -0.04 1.03 -1.59 1.20 0.00 0.00 173.24 173.58 1y8b s LYS 619 N 0.26 4.15 -0.25 5.44 -2.85 -1.26 -4.30 119.74 120.92 1y8b s LYS 619 Ca -0.02 1.16 -0.10 0.00 -1.00 0.00 0.00 55.97 56.01 1y8b s LYS 619 Cb -0.03 -3.69 -0.05 0.00 -2.06 0.00 0.00 37.83 32.00 1y8b s LYS 619 CO -0.01 -0.76 0.16 0.08 0.10 0.00 0.00 175.35 174.93 1y8b s VAL 620 N 3.39 5.26 0.30 1.79 1.01 -0.39 -4.88 120.40 126.88 1y8b s VAL 620 Ca 0.44 0.15 -0.27 0.00 0.00 0.00 0.00 61.98 62.29 1y8b s VAL 620 Cb -0.14 -3.47 -0.10 0.00 0.00 0.00 0.00 36.38 32.68 1y8b s VAL 620 CO 0.11 0.31 0.95 -2.16 0.00 0.00 0.00 175.10 174.31 1y8b s PRO 621 N 1.33 4.66 0.00 2.72 0.04 -1.26 -2.95 135.00 139.54 1y8b s PRO 621 Ca 0.07 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1y8b s PRO 621 Cb -0.14 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.43 1y8b s PRO 621 CO 0.07 0.34 0.00 -0.25 0.04 0.00 0.00 177.00 177.20 1y8b n ASP 622 N 0.86 0.00 -0.01 6.66 9.92 -1.11 -4.95 116.55 127.92 1y8b n ASP 622 Ca 0.01 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.06 1y8b n ASP 622 Cb 0.49 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.83 1y8b n ASP 622 CO 0.00 0.00 0.00 0.16 0.13 0.00 0.00 177.20 177.49 1y8b h ILE 623 N 0.00 1.19 -0.17 0.53 -2.65 -1.97 -3.30 117.51 111.14 1y8b h ILE 623 Ca 0.00 -2.38 -0.09 0.00 1.03 0.00 0.00 64.86 63.42 1y8b h ILE 623 Cb 0.00 2.81 -0.05 0.00 -2.05 0.00 0.00 36.82 37.53 1y8b h ILE 623 CO 0.00 0.63 0.11 1.41 0.03 0.00 0.00 178.15 180.34 1y8b n HIS 624 N -4.12 0.52 -0.61 0.16 8.25 -1.26 -4.76 115.22 113.40 1y8b n HIS 624 Ca -0.22 -0.74 0.00 0.00 -0.26 0.00 0.00 57.72 56.50 1y8b n HIS 624 Cb 0.80 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.54 1y8b n HIS 624 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1y8b n ASN 625 N 0.23 -3.01 -4.67 0.41 4.13 -1.24 -4.84 115.26 106.26 1y8b n ASN 625 Ca 0.10 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.90 1y8b n ASN 625 Cb 0.70 -2.38 -0.04 0.00 -1.54 0.00 0.00 39.78 36.51 1y8b n ASN 625 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 1y8b n VAL 626 N -1.34 0.14 -3.43 2.41 0.31 -1.26 -4.60 118.33 110.56 1y8b n VAL 626 Ca 0.00 -0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.87 1y8b n VAL 626 Cb 0.25 -1.63 -0.04 0.00 -0.91 0.00 0.00 33.84 31.52 1y8b n VAL 626 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y8b s ALA 627 N 1.64 4.06 0.16 3.52 0.00 -1.26 -2.75 121.76 127.13 1y8b s ALA 627 Ca 0.82 -3.40 -0.22 0.00 0.00 0.00 0.00 51.96 49.16 1y8b s ALA 627 Cb -0.68 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.06 1y8b s ALA 627 CO 0.41 -2.23 0.72 -0.48 0.00 0.00 0.00 175.76 174.17 1y8b s LEU 628 N -0.12 4.50 -0.25 0.00 2.34 -1.15 -3.78 118.68 120.22 1y8b s LEU 628 Ca 0.20 1.50 0.00 0.00 0.06 0.00 0.00 54.13 55.88 1y8b s LEU 628 Cb -0.12 -3.30 0.07 0.00 -0.56 0.00 0.00 46.19 42.28 1y8b s LEU 628 CO -0.08 0.17 -0.00 -0.32 -1.06 0.00 0.00 176.35 175.06 1y8b s MET 629 N -1.40 1.26 0.37 1.48 1.75 -1.26 -1.27 119.30 120.24 1y8b s MET 629 Ca 0.37 -0.96 0.04 0.00 -1.25 0.00 0.00 55.69 53.89 1y8b s MET 629 Cb -0.20 -2.44 -0.03 0.00 2.84 0.00 0.00 34.83 34.99 1y8b s MET 629 CO 0.23 -0.70 0.16 -1.21 -0.65 0.00 0.00 175.02 172.86 1y8b s GLU 630 N 1.49 1.82 0.00 4.11 2.02 -1.26 -4.80 118.70 122.07 1y8b s GLU 630 Ca -0.01 -2.08 0.00 0.00 0.02 0.00 0.00 54.97 52.90 1y8b s GLU 630 Cb -0.18 -0.31 0.00 0.00 0.10 0.00 0.00 34.13 33.74 1y8b s GLU 630 CO -0.10 -0.50 0.00 -0.25 0.02 0.00 0.00 175.26 174.43 1y8b n ASP 631 N -1.26 0.69 -0.62 -0.19 9.92 -1.15 -4.32 116.55 119.62 1y8b n ASP 631 Ca -0.02 -0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1y8b n ASP 631 Cb 0.64 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.12 1y8b n ASP 631 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 1y8b n ARG 632 N -0.04 0.48 0.06 -1.24 0.00 -1.26 -2.92 116.66 111.74 1y8b n ARG 632 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.68 1y8b n ARG 632 Cb 0.00 -1.24 -0.14 0.00 -0.00 0.00 0.00 32.46 31.07 1y8b n ARG 632 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1y8b h ALA 633 N 1.60 0.29 0.03 2.89 0.00 -1.92 -3.24 119.26 118.91 1y8b h ALA 633 Ca 0.00 -1.12 -0.27 0.00 0.00 0.00 0.00 54.91 53.52 1y8b h ALA 633 Cb 0.30 0.29 0.02 0.00 0.00 0.00 0.00 17.79 18.40 1y8b h ALA 633 CO 0.00 1.15 -1.08 0.00 0.00 0.00 0.00 179.25 179.32 1y8b h THR 634 N 0.07 1.30 -0.69 0.00 1.03 -1.84 -3.07 112.91 109.70 1y8b h THR 634 Ca -0.25 -2.34 0.10 0.00 -0.01 0.00 0.00 66.41 63.91 1y8b h THR 634 Cb 2.02 2.47 -0.04 0.00 -1.07 0.00 0.00 68.15 71.52 1y8b h THR 634 CO 0.16 0.72 0.46 0.25 -0.01 0.00 0.00 175.52 177.10 1y8b h LEU 635 N 0.34 0.48 0.46 0.00 6.46 -1.75 -2.76 115.31 118.53 1y8b h LEU 635 Ca -0.14 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 1y8b h LEU 635 Cb 1.74 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.59 1y8b h LEU 635 CO 0.21 0.28 -0.22 -0.09 -0.62 0.00 0.00 178.44 178.00 1y8b h ARG 636 N 0.53 -0.59 0.00 1.25 2.43 -1.57 -3.41 114.38 113.02 1y8b h ARG 636 Ca 0.32 0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.36 1y8b h ARG 636 Cb 0.55 0.13 0.05 0.00 -0.42 0.00 0.00 29.97 30.29 1y8b h ARG 636 CO -0.11 -0.40 0.11 1.51 -1.51 0.00 0.00 179.97 179.58 1y8b n ILE 637 N -4.37 0.00 0.00 1.20 3.06 -1.04 -4.34 119.36 113.87 1y8b n ILE 637 Ca -0.08 -0.47 0.00 0.00 -2.50 0.00 0.00 62.75 59.71 1y8b n ILE 637 Cb 0.24 -1.56 0.00 0.00 0.54 0.00 0.00 39.64 38.87 1y8b n ILE 637 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1y8b n SER 638 N -3.18 0.00 0.26 9.51 2.88 -1.26 -4.45 113.62 117.38 1y8b n SER 638 Ca 0.06 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.77 1y8b n SER 638 Cb 0.22 0.00 0.81 0.00 -0.75 0.00 0.00 64.21 64.49 1y8b n SER 638 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1y8b h SER 639 N 0.00 0.00 1.41 -3.46 0.87 -1.78 0.72 113.55 111.32 1y8b h SER 639 Ca 0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 1y8b h SER 639 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1y8b h SER 639 CO 0.00 0.00 -0.27 0.06 -0.53 0.00 0.00 176.83 176.09 1y8b h GLN 640 N 0.00 0.00 -0.23 2.24 3.07 -1.80 -3.24 115.11 115.15 1y8b h GLN 640 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.80 1y8b h GLN 640 Cb 0.76 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 1y8b h GLN 640 CO -0.00 0.27 0.14 0.45 0.09 0.00 0.00 178.83 179.78 1y8b h HIS 641 N 0.00 0.30 -1.13 0.06 3.86 0.11 -1.30 115.15 117.04 1y8b h HIS 641 Ca -0.00 0.00 0.32 0.00 -1.16 0.00 0.00 60.37 59.53 1y8b h HIS 641 Cb 1.05 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 29.35 1y8b h HIS 641 CO 0.00 0.22 0.79 0.82 0.86 0.00 0.00 177.93 180.62 1y8b h ILE 642 N 0.28 0.44 0.21 2.45 2.04 -1.64 0.21 117.51 121.50 1y8b h ILE 642 Ca 0.08 -0.04 -0.29 0.00 1.00 0.00 0.00 64.86 65.61 1y8b h ILE 642 Cb 0.01 0.31 0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1y8b h ILE 642 CO -0.02 0.02 -1.30 0.00 0.00 0.00 0.00 178.15 176.86 1y8b h ALA 643 N 1.49 -0.09 -0.49 1.87 0.00 -1.43 -2.55 119.26 118.05 1y8b h ALA 643 Ca 0.58 -0.85 0.08 0.00 0.00 0.00 0.00 54.91 54.72 1y8b h ALA 643 Cb 2.02 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.91 1y8b h ALA 643 CO -0.11 0.63 -0.39 -0.91 0.00 0.00 0.00 179.25 178.48 1y8b h ASN 644 N -0.05 -1.31 0.13 0.00 -0.26 0.39 1.25 115.58 115.73 1y8b h ASN 644 Ca -0.23 0.22 -0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1y8b h ASN 644 Cb 1.98 0.60 0.00 0.00 -1.06 0.00 0.00 38.32 39.84 1y8b h ASN 644 CO 0.22 -0.34 -0.06 -0.50 -1.06 0.00 0.00 177.43 175.69 1y8b h TRP 645 N -0.25 -0.16 -0.09 1.19 4.06 -1.62 -2.89 115.95 116.19 1y8b h TRP 645 Ca 0.18 -0.00 0.03 0.00 2.06 0.00 0.00 58.89 61.15 1y8b h TRP 645 Cb 0.56 0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.77 1y8b h TRP 645 CO -0.63 0.31 0.23 1.25 -3.56 0.00 0.00 178.44 176.03 1y8b h LEU 646 N -0.75 0.00 0.13 -4.49 6.46 -1.05 -0.59 115.31 115.03 1y8b h LEU 646 Ca -0.02 0.00 -0.27 0.00 -0.12 0.00 0.00 57.88 57.48 1y8b h LEU 646 Cb 0.54 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.49 1y8b h LEU 646 CO 0.03 0.00 -1.12 -0.09 -0.62 0.00 0.00 178.44 176.64 1y8b h ARG 647 N 0.00 0.52 -0.98 1.25 9.65 0.17 -3.19 114.38 121.81 1y8b h ARG 647 Ca 0.04 -0.74 -0.03 0.00 -1.10 0.00 0.00 59.98 58.15 1y8b h ARG 647 Cb 0.49 0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 29.31 1y8b h ARG 647 CO -0.00 1.33 0.03 0.72 2.80 0.00 0.00 179.97 184.86 1y8b n HIS 648 N -3.90 0.28 -1.93 2.20 8.25 -0.35 -4.78 115.22 114.98 1y8b n HIS 648 Ca -0.14 -0.34 -0.19 0.00 -0.26 0.00 0.00 57.72 56.79 1y8b n HIS 648 Cb 0.94 -0.23 -0.05 0.00 1.12 0.00 0.00 29.99 31.77 1y8b n HIS 648 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y8b n GLY 649 N 0.18 0.82 0.10 -1.41 0.00 -1.16 -4.80 105.19 98.93 1y8b n GLY 649 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1y8b n GLY 649 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y8b n ILE 650 N -2.98 0.00 -3.79 -0.61 5.41 -0.47 -4.84 119.36 112.07 1y8b n ILE 650 Ca -0.21 -0.05 -0.13 0.00 1.00 0.00 0.00 62.75 63.36 1y8b n ILE 650 Cb 0.65 0.06 -0.11 0.00 -0.71 0.00 0.00 39.64 39.53 1y8b n ILE 650 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1y8b s LEU 651 N -2.67 1.05 0.02 1.39 1.43 -1.25 -4.86 118.68 113.79 1y8b s LEU 651 Ca 0.22 0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 53.48 1y8b s LEU 651 Cb 0.19 0.94 -0.06 0.00 0.03 0.00 0.00 46.19 47.29 1y8b s LEU 651 CO 0.55 -0.19 0.53 0.42 0.23 0.00 0.00 176.35 177.89 1y8b s THR 652 N -0.33 4.88 0.47 5.49 -4.23 -1.26 -4.66 115.64 116.00 1y8b s THR 652 Ca -0.04 1.12 0.30 0.00 -1.18 0.00 0.00 61.69 61.88 1y8b s THR 652 Cb -0.03 -3.86 0.50 0.00 1.34 0.00 0.00 72.50 70.45 1y8b s THR 652 CO 0.01 0.51 1.74 0.50 -0.54 0.00 0.00 174.62 176.84 1y8b h LYS 653 N 5.00 0.15 0.21 3.99 1.63 -2.01 0.28 116.57 125.82 1y8b h LYS 653 Ca -0.48 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.30 1y8b h LYS 653 Cb 1.21 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1y8b h LYS 653 CO 0.65 0.10 -0.10 0.93 -3.45 0.00 0.00 179.45 177.58 1y8b h GLU 654 N 0.15 -0.27 -0.44 1.90 5.08 -1.98 -2.71 114.58 116.31 1y8b h GLU 654 Ca 0.66 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 59.09 1y8b h GLU 654 Cb 2.19 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 31.42 1y8b h GLU 654 CO -0.19 0.08 -0.56 0.37 -1.00 0.00 0.00 179.01 177.71 1y8b h GLN 655 N -0.67 -0.36 -0.53 2.33 4.15 -1.33 2.91 115.11 121.61 1y8b h GLN 655 Ca -0.03 0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.52 1y8b h GLN 655 Cb 0.47 0.08 -0.10 0.00 0.21 0.00 0.00 27.48 28.15 1y8b h GLN 655 CO 0.05 -0.24 -0.11 0.28 -1.93 0.00 0.00 178.83 176.88 1y8b h VAL 656 N -0.38 0.49 -0.30 2.39 2.07 -1.58 0.36 116.25 119.30 1y8b h VAL 656 Ca 0.08 -0.01 -0.15 0.00 0.82 0.00 0.00 66.70 67.44 1y8b h VAL 656 Cb 0.59 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1y8b h VAL 656 CO -0.62 0.00 -0.43 -0.61 0.02 0.00 0.00 177.57 175.94 1y8b h GLN 657 N 0.02 0.76 0.00 1.57 4.15 -0.67 -1.51 115.11 119.43 1y8b h GLN 657 Ca 0.26 -0.42 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 1y8b h GLN 657 Cb 0.39 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.10 1y8b h GLN 657 CO -0.53 1.04 -0.16 0.00 -1.93 0.00 0.00 178.83 177.26 1y8b h ALA 658 N 0.90 1.44 0.11 3.38 0.00 0.68 -2.87 119.26 122.90 1y8b h ALA 658 Ca 0.04 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1y8b h ALA 658 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1y8b h ALA 658 CO 0.09 0.20 -1.21 0.66 0.00 0.00 0.00 179.25 178.99 1y8b h SER 659 N 0.00 0.37 -0.92 0.00 4.64 -0.07 -3.33 113.55 114.24 1y8b h SER 659 Ca -0.00 -0.87 0.20 0.00 -0.47 0.00 0.00 61.79 60.65 1y8b h SER 659 Cb 0.35 -0.12 -0.07 0.00 -0.31 0.00 0.00 62.40 62.24 1y8b h SER 659 CO 0.02 1.54 0.60 -0.07 -0.87 0.00 0.00 176.83 178.05 1y8b h LEU 660 N -0.38 0.49 -1.00 5.97 4.07 -1.12 0.18 115.31 123.52 1y8b h LEU 660 Ca -0.26 0.05 0.11 0.00 0.08 0.00 0.00 57.88 57.87 1y8b h LEU 660 Cb 1.69 -0.04 -0.08 0.00 1.08 0.00 0.00 40.66 43.30 1y8b h LEU 660 CO 0.07 0.19 0.63 1.05 -1.08 0.00 0.00 178.44 179.30 1y8b h GLU 661 N 0.48 0.98 0.00 1.13 -0.00 -1.62 1.48 114.58 117.04 1y8b h GLU 661 Ca 0.49 -0.06 -0.02 0.00 -0.00 0.00 0.00 59.36 59.76 1y8b h GLU 661 Cb 1.10 -0.22 -0.00 0.00 -0.00 0.00 0.00 28.75 29.62 1y8b h GLU 661 CO -0.21 0.65 -0.17 -0.97 -0.00 0.00 0.00 179.01 178.31 1y8b h ASN 662 N 1.01 0.00 -0.73 3.06 -1.24 -0.88 -3.32 115.58 113.50 1y8b h ASN 662 Ca 0.49 -0.53 0.05 0.00 0.71 0.00 0.00 56.30 57.02 1y8b h ASN 662 Cb 0.45 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.45 1y8b h ASN 662 CO -0.26 0.86 0.43 0.24 -1.29 0.00 0.00 177.43 177.42 1y8b h MET 663 N -1.00 0.79 -0.94 6.67 2.86 -0.94 -1.38 114.93 120.99 1y8b h MET 663 Ca -0.04 -0.05 0.26 0.00 -2.06 0.00 0.00 59.70 57.82 1y8b h MET 663 Cb 0.65 -0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.00 1y8b h MET 663 CO -0.02 0.52 0.45 0.00 1.06 0.00 0.00 176.91 178.92 1y8b h ALA 664 N 1.35 1.62 0.08 6.32 0.00 0.19 -0.38 119.26 128.45 1y8b h ALA 664 Ca 0.31 0.18 -0.15 0.00 0.00 0.00 0.00 54.91 55.25 1y8b h ALA 664 Cb 0.13 0.17 0.02 0.00 0.00 0.00 0.00 17.79 18.10 1y8b h ALA 664 CO -0.16 -0.43 -0.64 0.87 0.00 0.00 0.00 179.25 178.89 1y8b h LYS 665 N 0.36 0.29 -0.80 0.00 1.57 -1.38 -2.11 116.57 114.50 1y8b h LYS 665 Ca 0.63 -0.42 0.19 0.00 -1.87 0.00 0.00 60.65 59.18 1y8b h LYS 665 Cb 1.30 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.63 1y8b h LYS 665 CO -0.57 1.16 0.18 0.28 -0.57 0.00 0.00 179.45 179.93 1y8b h VAL 666 N -0.38 0.41 0.11 0.50 2.07 -0.12 2.13 116.25 120.97 1y8b h VAL 666 Ca -0.10 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 1y8b h VAL 666 Cb 1.45 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1y8b h VAL 666 CO 0.12 0.04 -0.05 0.58 0.02 0.00 0.00 177.57 178.28 1y8b h VAL 667 N 0.23 0.00 -0.81 2.57 2.07 -1.33 -3.20 116.25 115.78 1y8b h VAL 667 Ca 0.47 -0.69 0.16 0.00 0.82 0.00 0.00 66.70 67.46 1y8b h VAL 667 Cb 0.87 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.54 1y8b h VAL 667 CO -0.59 0.00 0.36 0.44 0.02 0.00 0.00 177.57 177.81 1y8b h ASP 668 N -0.83 0.37 -0.82 0.57 3.32 -1.11 0.99 116.42 118.92 1y8b h ASP 668 Ca -0.01 0.11 0.18 0.00 0.02 0.00 0.00 57.03 57.33 1y8b h ASP 668 Cb 0.11 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 39.61 1y8b h ASP 668 CO 0.02 0.13 0.29 -0.61 -1.72 0.00 0.00 179.24 177.35 1y8b h GLN 669 N 0.50 0.35 0.05 3.56 -0.00 0.34 2.81 115.11 122.72 1y8b h GLN 669 Ca 0.45 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 58.84 1y8b h GLN 669 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 1y8b h GLN 669 CO -0.41 0.23 -1.32 1.96 0.00 0.00 0.00 178.83 179.29 1y8b h GLN 670 N 0.36 0.10 -1.01 1.69 4.20 -0.84 -3.37 115.11 116.24 1y8b h GLN 670 Ca 0.48 -0.17 -0.57 0.00 0.06 0.00 0.00 58.65 58.45 1y8b h GLN 670 Cb 0.85 0.06 -0.29 0.00 0.30 0.00 0.00 27.48 28.40 1y8b h GLN 670 CO -0.51 1.08 0.73 -1.71 -0.67 0.00 0.00 178.83 177.75 1y8b n ASN 671 N -4.17 5.34 0.00 1.46 2.85 0.32 -4.61 115.26 116.45 1y8b n ASN 671 Ca -0.29 -3.64 0.00 0.00 -0.11 0.00 0.00 54.58 50.54 1y8b n ASN 671 Cb 0.78 -0.89 0.00 0.00 1.24 0.00 0.00 39.78 40.91 1y8b n ASN 671 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y8b n ALA 672 N -1.00 0.77 0.00 5.20 0.00 0.94 -4.66 120.51 121.76 1y8b n ALA 672 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1y8b n ALA 672 Cb 1.24 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1y8b n ALA 672 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8b n GLY 673 N -1.13 2.50 3.51 0.00 0.00 -1.26 -5.00 105.19 103.80 1y8b n GLY 673 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1y8b n GLY 673 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1y8b n ASP 674 N 0.00 2.41 0.03 1.61 8.00 -1.26 -4.80 116.55 122.54 1y8b n ASP 674 Ca 0.00 0.50 0.13 0.00 0.71 0.00 0.00 54.79 56.13 1y8b n ASP 674 Cb 0.00 -1.30 0.46 0.00 -0.02 0.00 0.00 41.12 40.27 1y8b n ASP 674 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1y8b n PRO 675 N 7.88 0.08 0.00 -0.24 -0.04 -1.26 -4.74 135.00 136.67 1y8b n PRO 675 Ca 0.37 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 1y8b n PRO 675 Cb 0.25 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1y8b n PRO 675 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y8b n ALA 676 N -1.58 0.00 -3.62 0.55 0.00 -1.26 -5.09 120.51 109.50 1y8b n ALA 676 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.24 1y8b n ALA 676 Cb 0.37 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.65 1y8b n ALA 676 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1y8b s TYR 677 N -1.97 0.27 -0.17 0.00 2.02 -1.26 -5.10 117.35 111.13 1y8b s TYR 677 Ca 0.00 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.03 1y8b s TYR 677 Cb 0.00 -0.73 -0.03 0.00 -0.40 0.00 0.00 41.96 40.80 1y8b s TYR 677 CO 0.00 -0.53 1.56 -0.98 -1.57 0.00 0.00 175.55 174.02 1y8b s ARG 678 N 2.11 3.97 0.32 -0.62 1.04 -1.26 -4.97 118.95 119.55 1y8b s ARG 678 Ca 0.02 1.79 -0.26 0.00 -1.04 0.00 0.00 55.73 56.24 1y8b s ARG 678 Cb -0.16 -3.97 -0.10 0.00 -2.04 0.00 0.00 34.95 28.68 1y8b s ARG 678 CO -0.10 -1.07 0.95 -1.25 -0.04 0.00 0.00 175.30 173.78 1y8b s PRO 679 N 4.29 4.58 0.25 3.89 0.04 -1.26 -4.95 135.00 141.85 1y8b s PRO 679 Ca 0.69 1.34 0.25 0.00 0.04 0.00 0.00 61.00 63.32 1y8b s PRO 679 Cb -0.26 -2.81 0.90 0.00 0.04 0.00 0.00 34.50 32.36 1y8b s PRO 679 CO 0.27 0.27 1.75 -1.33 0.04 0.00 0.00 177.00 178.00 1y8b n MET 680 N 0.57 0.24 -1.49 4.56 2.81 -1.26 -3.14 117.12 119.42 1y8b n MET 680 Ca 0.02 0.33 -0.34 0.00 -1.81 0.00 0.00 57.70 55.89 1y8b n MET 680 Cb 0.50 -1.86 0.07 0.00 -0.71 0.00 0.00 33.22 31.22 1y8b n MET 680 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y8b n ALA 681 N -1.80 6.20 -1.01 3.04 0.00 -1.26 -4.78 120.51 120.90 1y8b n ALA 681 Ca 0.04 -3.59 0.00 0.00 0.00 0.00 0.00 53.44 49.89 1y8b n ALA 681 Cb 0.34 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.17 1y8b n ALA 681 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8b n GLY 682 N -0.85 1.86 0.38 0.00 0.00 -1.19 -5.00 105.19 100.39 1y8b n GLY 682 Ca 0.60 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 1y8b n GLY 682 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y8b n ASN 683 N 0.00 -0.14 -0.08 1.61 4.13 -1.26 -5.00 115.26 114.52 1y8b n ASN 683 Ca 0.00 -0.48 -0.07 0.00 1.68 0.00 0.00 54.58 55.71 1y8b n ASN 683 Cb 0.00 0.04 -0.00 0.00 -1.54 0.00 0.00 39.78 38.28 1y8b n ASN 683 CO 0.00 0.00 0.00 2.19 0.28 0.00 0.00 177.26 179.73 1y8b h PHE 684 N 0.00 -0.08 -1.09 3.10 -0.00 -1.94 2.53 116.94 119.47 1y8b h PHE 684 Ca -0.08 0.02 0.33 0.00 -0.00 0.00 0.00 57.97 58.25 1y8b h PHE 684 Cb 0.53 0.08 -0.13 0.00 -0.00 0.00 0.00 35.95 36.43 1y8b h PHE 684 CO -0.08 -0.08 0.66 0.00 -0.00 0.00 0.00 178.31 178.80 1y8b h ALA 685 N 1.27 2.19 -0.83 12.09 0.00 -1.96 -2.29 119.26 129.73 1y8b h ALA 685 Ca 0.14 0.14 -0.35 0.00 0.00 0.00 0.00 54.91 54.84 1y8b h ALA 685 Cb 0.20 0.13 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 1y8b h ALA 685 CO -0.27 -0.76 -1.11 -1.71 0.00 0.00 0.00 179.25 175.40 1y8b n ASN 686 N -4.86 1.95 -4.59 0.00 4.05 -0.20 -5.06 115.26 106.55 1y8b n ASN 686 Ca 0.31 -2.61 -0.42 0.00 0.45 0.00 0.00 54.58 52.31 1y8b n ASN 686 Cb 1.05 -0.50 -0.02 0.00 1.23 0.00 0.00 39.78 41.55 1y8b n ASN 686 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1y8b s SER 687 N -3.42 6.48 0.00 1.20 1.04 0.83 -4.83 113.70 115.00 1y8b s SER 687 Ca 0.30 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1y8b s SER 687 Cb 0.40 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.97 1y8b s SER 687 CO -0.01 -1.43 0.79 0.00 0.98 0.00 0.00 173.24 173.57 1y8b h ALA 689 N 1.58 1.57 0.00 0.00 0.00 -1.94 0.21 119.26 120.67 1y8b h ALA 689 Ca 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1y8b h ALA 689 Cb 0.17 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y8b h ALA 689 CO 0.00 -0.26 -0.12 0.74 0.00 0.00 0.00 179.25 179.61 1y8b h PHE 690 N 0.53 0.00 -0.27 0.00 0.04 -1.87 -3.02 116.94 112.35 1y8b h PHE 690 Ca 0.58 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.41 1y8b h PHE 690 Cb 1.06 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.13 1y8b h PHE 690 CO -0.07 1.02 -0.41 0.87 -0.60 0.00 0.00 178.31 179.11 1y8b h LYS 691 N -1.00 -0.38 -0.73 1.51 1.57 -1.54 2.35 116.57 118.35 1y8b h LYS 691 Ca -0.03 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.88 1y8b h LYS 691 Cb 1.00 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.35 1y8b h LYS 691 CO -0.02 -0.26 0.48 0.00 -0.57 0.00 0.00 179.45 179.08 1y8b h ALA 692 N 0.31 1.93 0.00 3.86 0.00 -0.75 0.60 119.26 125.20 1y8b h ALA 692 Ca 0.11 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.80 1y8b h ALA 692 Cb 0.60 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1y8b h ALA 692 CO -0.48 -0.10 -1.05 0.00 0.00 0.00 0.00 179.25 177.62 1y8b h ALA 693 N 1.64 0.38 0.04 0.00 0.00 -0.34 -3.12 119.26 117.86 1y8b h ALA 693 Ca 0.34 -0.95 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 1y8b h ALA 693 Cb 0.59 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1y8b h ALA 693 CO -0.12 1.27 -0.02 0.77 0.00 0.00 0.00 179.25 181.15 1y8b h SER 694 N 0.00 -0.05 -0.90 0.00 0.02 0.57 -3.29 113.55 109.89 1y8b h SER 694 Ca -0.03 -0.53 0.22 0.00 -0.84 0.00 0.00 61.79 60.61 1y8b h SER 694 Cb 1.79 0.01 -0.12 0.00 0.14 0.00 0.00 62.40 64.22 1y8b h SER 694 CO 0.13 0.68 0.41 -0.78 -1.14 0.00 0.00 176.83 176.12 1y8b h ASP 695 N -0.95 0.36 -0.50 3.07 3.58 -0.03 -0.19 116.42 121.77 1y8b h ASP 695 Ca -0.01 0.15 0.09 0.00 0.42 0.00 0.00 57.03 57.68 1y8b h ASP 695 Cb 0.58 0.12 -0.10 0.00 1.72 0.00 0.00 39.33 41.65 1y8b h ASP 695 CO 0.01 0.02 -0.34 0.25 -2.88 0.00 0.00 179.24 176.30 1y8b h LEU 696 N 0.42 -1.16 -0.34 2.28 6.46 -1.61 0.66 115.31 122.02 1y8b h LEU 696 Ca 0.56 0.21 0.06 0.00 -0.12 0.00 0.00 57.88 58.59 1y8b h LEU 696 Cb 1.05 0.55 -0.05 0.00 -0.73 0.00 0.00 40.66 41.48 1y8b h LEU 696 CO -0.51 -0.32 0.01 0.40 -0.62 0.00 0.00 178.44 177.40 1y8b h ILE 697 N -0.21 0.76 0.74 4.05 1.08 -1.12 0.14 117.51 122.95 1y8b h ILE 697 Ca 0.20 -0.04 -0.04 0.00 -0.39 0.00 0.00 64.86 64.59 1y8b h ILE 697 Cb 0.55 0.64 0.01 0.00 -3.07 0.00 0.00 36.82 34.95 1y8b h ILE 697 CO -0.61 0.02 -0.36 -0.26 -0.69 0.00 0.00 178.15 176.25 1y8b h PHE 698 N 0.11 -0.92 0.00 1.37 0.04 -0.72 -1.36 116.94 115.47 1y8b h PHE 698 Ca 0.16 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1y8b h PHE 698 Cb 0.22 0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.67 1y8b h PHE 698 CO -0.23 -0.57 0.02 1.28 -0.60 0.00 0.00 178.31 178.21 1y8b n LEU 699 N -4.89 0.00 -0.41 1.54 7.99 0.21 -1.82 117.00 119.63 1y8b n LEU 699 Ca -0.12 0.15 0.00 0.00 -0.01 0.00 0.00 56.01 56.03 1y8b n LEU 699 Cb 0.39 -0.15 0.00 0.00 -0.11 0.00 0.00 43.42 43.55 1y8b n LEU 699 CO 0.30 -0.15 0.27 0.61 -1.51 0.00 0.00 177.39 176.90 1y8b n GLY 700 N -1.12 0.92 0.13 -0.72 0.00 0.46 -3.22 105.19 101.64 1y8b n GLY 700 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1y8b n GLY 700 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1y8b n VAL 701 N -0.05 1.73 -0.23 1.61 0.24 -0.75 -4.62 118.33 116.25 1y8b n VAL 701 Ca 0.00 -0.67 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 1y8b n VAL 701 Cb 0.18 -1.59 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 1y8b n VAL 701 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1y8b n LYS 702 N -3.39 0.40 -1.60 7.34 5.02 -1.23 -5.06 118.16 119.64 1y8b n LYS 702 Ca -0.31 -0.29 -0.38 0.00 -2.02 0.00 0.00 58.31 55.31 1y8b n LYS 702 Cb 1.05 -0.76 0.05 0.00 -0.02 0.00 0.00 35.03 35.35 1y8b n LYS 702 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y8b n GLN 703 N -0.14 0.85 -2.43 1.97 -0.00 -1.20 -4.91 117.38 111.52 1y8b n GLN 703 Ca 0.00 0.33 -0.39 0.00 -0.00 0.00 0.00 57.00 56.94 1y8b n GLN 703 Cb 0.06 -2.10 -0.04 0.00 -0.00 0.00 0.00 30.24 28.16 1y8b n GLN 703 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1y8b s PRO 704 N -2.65 4.42 0.00 2.61 0.04 -1.26 -4.85 135.00 133.31 1y8b s PRO 704 Ca 0.75 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1y8b s PRO 704 Cb -0.42 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.16 1y8b s PRO 704 CO 0.48 0.02 0.18 0.09 0.04 0.00 0.00 177.00 177.81 1y8b n ASN 705 N 0.71 0.00 0.08 6.66 5.03 -1.26 -3.32 115.26 123.17 1y8b n ASN 705 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 1y8b n ASN 705 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 1y8b n ASN 705 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1y8b n GLY 706 N -0.61 -0.20 3.52 7.41 0.00 -1.26 -4.90 105.19 109.15 1y8b n GLY 706 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1y8b n GLY 706 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y8b s TYR 707 N -1.73 2.97 -0.87 1.61 1.51 -1.21 -4.61 117.35 115.02 1y8b s TYR 707 Ca 0.00 -1.50 0.07 0.00 -1.01 0.00 0.00 57.07 54.63 1y8b s TYR 707 Cb 0.00 -4.52 0.05 0.00 -0.11 0.00 0.00 41.96 37.38 1y8b s TYR 707 CO 0.00 -1.67 0.70 0.25 -1.11 0.00 0.00 175.55 173.72 1y8b n THR 708 N 5.87 0.00 -0.04 -0.71 -2.24 -1.26 -4.08 114.28 111.83 1y8b n THR 708 Ca 0.36 -0.49 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1y8b n THR 708 Cb 0.47 1.14 0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1y8b n THR 708 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1y8b h GLU 709 N 1.33 0.68 -0.40 -0.78 4.39 -1.93 -3.33 114.58 114.54 1y8b h GLU 709 Ca 0.00 -0.38 0.08 0.00 0.34 0.00 0.00 59.36 59.40 1y8b h GLU 709 Cb 0.29 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.88 1y8b h GLU 709 CO 0.00 0.99 -0.33 -1.35 -1.16 0.00 0.00 179.01 177.16 1y8b h PRO 710 N 0.55 -0.24 -0.03 2.33 0.11 -1.96 0.51 132.00 133.26 1y8b h PRO 710 Ca 0.03 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1y8b h PRO 710 Cb 1.00 0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 1y8b h PRO 710 CO 0.09 -0.16 -0.32 1.37 -0.21 0.00 0.00 178.00 178.77 1y8b h LEU 711 N -0.25 -0.97 0.66 2.35 -0.00 -1.90 1.48 115.31 116.67 1y8b h LEU 711 Ca 0.17 0.13 -0.03 0.00 -0.00 0.00 0.00 57.88 58.15 1y8b h LEU 711 Cb 0.54 0.40 0.01 0.00 -0.00 0.00 0.00 40.66 41.60 1y8b h LEU 711 CO -0.54 -0.38 -0.32 0.25 -0.00 0.00 0.00 178.44 177.46 1y8b h LEU 712 N -0.45 -0.75 -0.75 0.17 6.46 -1.61 -3.12 115.31 115.26 1y8b h LEU 712 Ca 0.07 0.03 0.13 0.00 -0.12 0.00 0.00 57.88 57.99 1y8b h LEU 712 Cb 0.56 0.19 -0.09 0.00 -0.73 0.00 0.00 40.66 40.59 1y8b h LEU 712 CO -0.29 -0.38 0.32 0.45 -0.62 0.00 0.00 178.44 177.92 1y8b h HIS 713 N -1.19 0.55 -0.93 1.25 3.86 0.08 0.10 115.15 118.86 1y8b h HIS 713 Ca -0.09 0.03 0.27 0.00 -1.16 0.00 0.00 60.37 59.43 1y8b h HIS 713 Cb 0.68 -0.13 -0.15 0.00 1.06 0.00 0.00 27.41 28.87 1y8b h HIS 713 CO 0.01 0.10 0.35 0.00 0.86 0.00 0.00 177.93 179.25 1y8b h ALA 714 N 1.53 1.55 0.00 2.45 0.00 0.21 2.28 119.26 127.28 1y8b h ALA 714 Ca 0.41 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 1y8b h ALA 714 Cb 0.59 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1y8b h ALA 714 CO -0.38 -0.53 -0.04 -1.49 0.00 0.00 0.00 179.25 176.81 1y8b h TRP 715 N 0.23 0.00 0.24 0.00 -0.00 -0.91 -2.27 115.95 113.25 1y8b h TRP 715 Ca 0.63 0.00 -0.33 0.00 -0.00 0.00 0.00 58.89 59.19 1y8b h TRP 715 Cb 1.36 0.00 0.04 0.00 -0.00 0.00 0.00 29.16 30.56 1y8b h TRP 715 CO -0.18 0.04 -1.46 -0.09 -0.00 0.00 0.00 178.44 176.76 1y8b h ARG 716 N 0.00 0.56 -0.01 0.49 2.43 0.38 -2.68 114.38 115.55 1y8b h ARG 716 Ca -0.00 -0.92 -0.02 0.00 -0.81 0.00 0.00 59.98 58.23 1y8b h ARG 716 Cb 0.21 0.34 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1y8b h ARG 716 CO 0.01 1.44 -0.07 -0.07 -1.51 0.00 0.00 179.97 179.76 1y8b h LEU 717 N 0.17 0.02 0.00 3.80 4.07 -0.78 -0.92 115.31 121.66 1y8b h LEU 717 Ca -0.25 -0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.66 1y8b h LEU 717 Cb 2.14 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.87 1y8b h LEU 717 CO 0.27 0.09 -0.58 0.03 -1.08 0.00 0.00 178.44 177.18 1y8b h ARG 718 N 0.02 0.00 0.04 1.13 3.08 -1.53 -3.05 114.38 114.08 1y8b h ARG 718 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1y8b h ARG 718 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1y8b h ARG 718 CO 0.01 0.14 -1.02 0.93 -1.07 0.00 0.00 179.97 178.96 1y8b h GLU 719 N 0.00 0.32 0.03 0.04 5.08 -0.83 -3.27 114.58 115.95 1y8b h GLU 719 Ca -0.02 -0.40 -0.25 0.00 -1.00 0.00 0.00 59.36 57.69 1y8b h GLU 719 Cb 1.16 0.13 0.01 0.00 0.50 0.00 0.00 28.75 30.54 1y8b h GLU 719 CO 0.02 1.11 -1.03 -0.22 -1.00 0.00 0.00 179.01 177.89 1y8b h LYS 720 N 0.16 0.48 -0.94 2.33 1.63 -1.44 -3.16 116.57 115.62 1y8b h LYS 720 Ca -0.09 -0.55 0.24 0.00 -0.85 0.00 0.00 60.65 59.40 1y8b h LYS 720 Cb 1.69 0.17 -0.06 0.00 -0.60 0.00 0.00 32.23 33.42 1y8b h LYS 720 CO 0.17 1.19 0.64 1.49 -3.45 0.00 0.00 179.45 179.49 1y8b h GLU 721 N 0.25 0.23 0.25 1.90 4.81 -1.58 -0.55 114.58 119.89 1y8b h GLU 721 Ca -0.11 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 1y8b h GLU 721 Cb 1.68 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 31.01 1y8b h GLU 721 CO 0.18 0.15 -0.12 1.03 -0.73 0.00 0.00 179.01 179.52 1y8b h SER 722 N 0.24 -0.29 0.00 1.04 0.87 -1.62 -3.52 113.55 110.27 1y8b h SER 722 Ca 0.48 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1y8b h SER 722 Cb 1.48 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.51 1y8b h SER 722 CO -0.13 -0.20 0.00 1.41 -0.53 0.00 0.00 176.83 177.38