#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 0.00 -0.00 3.04 0.00 -1.26 -2.36 120.51 119.93 1y8b n ALA 2 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1y8b n ALA 2 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.45 1y8b n ALA 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1y8b h GLN 3 N 0.00 -0.00 -7.66 0.00 1.08 -2.06 -3.47 115.11 102.99 1y8b h GLN 3 Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1y8b h GLN 3 Cb 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 27.48 27.55 1y8b h GLN 3 CO 0.00 -0.00 0.40 0.95 -0.95 0.00 0.00 178.83 179.23 1y8b s THR 4 N -1.14 2.01 0.23 -0.54 -4.23 -1.00 -4.73 115.64 106.24 1y8b s THR 4 Ca -0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1y8b s THR 4 Cb 0.00 -3.00 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1y8b s THR 4 CO 0.00 0.00 0.19 -0.63 -0.54 0.00 0.00 174.62 173.64 1y8b s ILE 5 N -3.65 4.49 -0.09 2.99 -1.09 0.37 0.11 121.20 124.32 1y8b s ILE 5 Ca 0.65 -1.31 -0.02 0.00 -2.23 0.00 0.00 60.65 57.75 1y8b s ILE 5 Cb -0.09 -3.39 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1y8b s ILE 5 CO 0.50 -0.29 -0.00 0.28 -1.23 0.00 0.00 174.94 174.20 1y8b s THR 6 N -2.03 4.26 0.29 2.92 -1.32 -1.26 -2.17 115.64 116.32 1y8b s THR 6 Ca 0.32 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.58 1y8b s THR 6 Cb -0.08 -2.80 -0.06 0.00 -1.51 0.00 0.00 72.50 68.05 1y8b s THR 6 CO 0.25 0.59 0.04 -1.58 -2.21 0.00 0.00 174.62 171.71 1y8b s GLN 7 N -0.72 1.52 0.00 7.08 2.00 -0.39 -4.92 119.66 124.24 1y8b s GLN 7 Ca 0.11 -1.82 0.12 0.00 -2.00 0.00 0.00 55.36 51.77 1y8b s GLN 7 Cb -0.12 -0.71 0.71 0.00 0.80 0.00 0.00 33.01 33.69 1y8b s GLN 7 CO 0.02 -0.17 1.13 0.45 -0.50 0.00 0.00 175.29 176.22 1y8b n SER 8 N -0.57 0.00 0.00 6.67 2.88 -1.26 -3.52 113.62 117.82 1y8b n SER 8 Ca -0.03 -0.47 -0.03 0.00 -1.33 0.00 0.00 58.87 57.01 1y8b n SER 8 Cb 0.66 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.11 1y8b n SER 8 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1y8b n ARG 9 N -0.94 0.18 0.00 -1.46 1.74 -1.26 -5.14 116.66 109.78 1y8b n ARG 9 Ca 0.09 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1y8b n ARG 9 Cb 0.04 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 1y8b n ARG 9 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 1y8b n LEU 10 N -3.82 0.00 -4.38 0.55 -0.00 -1.23 -4.48 117.00 103.64 1y8b n LEU 10 Ca -0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 56.01 55.62 1y8b n LEU 10 Cb 0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 43.42 43.47 1y8b n LEU 10 CO 0.07 0.00 -0.40 -0.60 -0.00 0.00 0.00 177.39 176.46 1y8b s ARG 11 N 2.18 3.45 0.16 1.47 3.52 -0.42 -1.26 118.95 128.05 1y8b s ARG 11 Ca 0.00 -0.62 0.02 0.00 -0.13 0.00 0.00 55.73 55.00 1y8b s ARG 11 Cb 0.00 -2.83 -0.05 0.00 -1.56 0.00 0.00 34.95 30.52 1y8b s ARG 11 CO 0.00 0.08 -0.03 0.96 -0.81 0.00 0.00 175.30 175.50 1y8b s ILE 12 N 0.73 0.82 0.44 4.11 -5.25 -0.92 -2.83 121.20 118.29 1y8b s ILE 12 Ca -0.04 -1.99 -0.22 0.00 -0.99 0.00 0.00 60.65 57.41 1y8b s ILE 12 Cb -0.15 -2.01 -0.09 0.00 2.95 0.00 0.00 42.46 43.16 1y8b s ILE 12 CO 0.02 -0.59 1.04 -1.81 -1.79 0.00 0.00 174.94 171.81 1y8b s ASP 13 N -3.16 6.58 0.00 4.36 1.11 -1.26 -0.48 116.67 123.82 1y8b s ASP 13 Ca 0.21 1.97 -0.24 0.00 0.18 0.00 0.00 52.55 54.66 1y8b s ASP 13 Cb 0.05 -2.57 -0.14 0.00 1.07 0.00 0.00 42.92 41.33 1y8b s ASP 13 CO 0.02 -0.61 1.03 0.00 1.18 0.00 0.00 175.17 176.79 1y8b h ALA 14 N 2.04 -0.75 -0.12 5.23 0.00 -1.91 -2.66 119.26 121.08 1y8b h ALA 14 Ca -0.49 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.28 1y8b h ALA 14 Cb 1.22 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.24 1y8b h ALA 14 CO 0.61 -0.74 -0.24 -2.95 0.00 0.00 0.00 179.25 175.93 1y8b h ASN 15 N -1.13 -0.73 -0.60 0.00 -0.00 -1.97 -1.01 115.58 110.13 1y8b h ASN 15 Ca -0.08 0.12 0.11 0.00 -0.00 0.00 0.00 56.30 56.45 1y8b h ASN 15 Cb 0.62 0.32 -0.12 0.00 -0.00 0.00 0.00 38.32 39.15 1y8b h ASN 15 CO 0.13 -0.29 -0.30 0.15 -0.00 0.00 0.00 177.43 177.12 1y8b h PHE 16 N -0.31 -0.79 -0.03 4.14 3.04 -1.97 0.24 116.94 121.27 1y8b h PHE 16 Ca 0.10 0.07 0.02 0.00 3.98 0.00 0.00 57.97 62.13 1y8b h PHE 16 Cb 0.45 0.44 -0.02 0.00 2.56 0.00 0.00 35.95 39.38 1y8b h PHE 16 CO -0.33 -0.36 -0.07 -0.22 -2.02 0.00 0.00 178.31 175.30 1y8b h LYS 17 N -0.13 -0.11 0.65 1.11 3.64 -1.00 -1.20 116.57 119.52 1y8b h LYS 17 Ca 0.25 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1y8b h LYS 17 Cb 0.54 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 1y8b h LYS 17 CO -0.68 -0.07 -0.48 0.00 -2.27 0.00 0.00 179.45 175.95 1y8b h ARG 18 N -0.12 -1.04 -0.73 1.90 -0.00 0.18 4.01 114.38 118.58 1y8b h ARG 18 Ca 0.04 0.07 0.16 0.00 -0.50 0.00 0.00 59.98 59.75 1y8b h ARG 18 Cb 0.17 0.24 -0.13 0.00 0.00 0.00 0.00 29.97 30.25 1y8b h ARG 18 CO -0.10 -0.70 -0.00 0.74 0.00 0.00 0.00 179.97 179.92 1y8b h PHE 19 N -1.08 -0.06 0.11 3.04 -1.00 -0.50 2.18 116.94 119.62 1y8b h PHE 19 Ca -0.09 0.05 -0.24 0.00 2.81 0.00 0.00 57.97 60.51 1y8b h PHE 19 Cb 0.89 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.60 1y8b h PHE 19 CO -0.16 -0.23 -1.18 0.28 -1.61 0.00 0.00 178.31 175.41 1y8b h VAL 20 N 0.10 1.20 0.00 -0.55 2.07 -0.91 -2.52 116.25 115.64 1y8b h VAL 20 Ca 0.39 -2.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 1y8b h VAL 20 Cb 0.68 2.86 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1y8b h VAL 20 CO -0.65 0.69 -0.29 -0.78 0.02 0.00 0.00 177.57 176.56 1y8b h ASP 21 N -0.38 0.00 0.59 0.57 1.82 0.81 -0.31 116.42 119.51 1y8b h ASP 21 Ca -0.25 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.22 1y8b h ASP 21 Cb 1.68 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.66 1y8b h ASP 21 CO 0.07 0.29 -1.54 1.21 -1.61 0.00 0.00 179.24 177.65 1y8b n GLU 22 N -3.59 0.63 -0.02 0.28 4.07 0.73 -4.24 120.64 118.50 1y8b n GLU 22 Ca -0.01 0.17 -0.05 0.00 -0.06 0.00 0.00 57.16 57.22 1y8b n GLU 22 Cb 0.42 -1.76 -0.02 0.00 -0.06 0.00 0.00 31.44 30.02 1y8b n GLU 22 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1y8b n GLU 23 N -2.83 0.26 0.32 5.31 1.02 -0.95 -4.60 120.64 119.17 1y8b n GLU 23 Ca -0.11 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 56.97 1y8b n GLU 23 Cb 0.85 -0.96 -0.08 0.00 -0.02 0.00 0.00 31.44 31.22 1y8b n GLU 23 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1y8b h VAL 24 N -0.49 0.36 -0.70 2.62 2.07 -1.26 0.35 116.25 119.20 1y8b h VAL 24 Ca -0.02 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1y8b h VAL 24 Cb 0.53 0.43 -0.10 0.00 -1.52 0.00 0.00 31.29 30.63 1y8b h VAL 24 CO -0.01 0.03 -0.57 -0.07 0.02 0.00 0.00 177.57 176.96 1y8b h LEU 25 N -0.93 -2.01 -0.02 2.57 -0.00 -1.30 0.30 115.31 113.92 1y8b h LEU 25 Ca -0.08 0.29 -0.05 0.00 -0.00 0.00 0.00 57.88 58.04 1y8b h LEU 25 Cb 0.66 0.86 0.00 0.00 -0.00 0.00 0.00 40.66 42.18 1y8b h LEU 25 CO 0.13 -0.32 -0.17 1.55 -0.00 0.00 0.00 178.44 179.64 1y8b h PRO 26 N -0.20 0.15 0.00 1.13 0.13 -1.75 -1.48 132.00 129.97 1y8b h PRO 26 Ca 0.12 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1y8b h PRO 26 Cb 0.51 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1y8b h PRO 26 CO -0.77 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 178.24 1y8b n GLY 27 N 0.85 -0.76 0.13 1.56 0.00 0.12 -2.47 105.19 104.63 1y8b n GLY 27 Ca -0.09 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 45.92 1y8b n GLY 27 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y8b n THR 28 N -1.50 0.67 -0.43 2.61 -2.24 0.10 -4.97 114.28 108.54 1y8b n THR 28 Ca 0.02 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1y8b n THR 28 Cb 0.09 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1y8b n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y8b n GLY 29 N -0.44 0.00 3.48 3.38 0.00 -0.61 -4.74 105.19 106.26 1y8b n GLY 29 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1y8b n GLY 29 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1y8b n LEU 30 N 0.00 0.80 -4.65 0.99 0.00 -0.89 -4.75 117.00 108.50 1y8b n LEU 30 Ca 0.00 0.11 -0.49 0.00 0.00 0.00 0.00 56.01 55.63 1y8b n LEU 30 Cb 0.19 -1.06 -0.05 0.00 0.00 0.00 0.00 43.42 42.50 1y8b n LEU 30 CO 0.00 -0.88 1.54 -0.90 0.00 0.00 0.00 177.39 177.15 1y8b n ASP 31 N 11.19 3.15 -0.03 1.96 5.75 -1.26 -4.85 116.55 132.46 1y8b n ASP 31 Ca 0.58 0.87 -0.14 0.00 -0.01 0.00 0.00 54.79 56.09 1y8b n ASP 31 Cb 0.13 -1.34 -0.10 0.00 -1.03 0.00 0.00 41.12 38.78 1y8b n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1y8b h ALA 32 N 9.77 0.09 -0.70 2.12 0.00 -1.95 -2.91 119.26 125.67 1y8b h ALA 32 Ca -0.45 -0.37 0.09 0.00 0.00 0.00 0.00 54.91 54.17 1y8b h ALA 32 Cb 1.28 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.95 1y8b h ALA 32 CO 0.96 0.02 -0.50 0.00 0.00 0.00 0.00 179.25 179.73 1y8b h ALA 33 N 0.43 -0.44 0.00 0.00 0.00 -1.99 1.62 119.26 118.89 1y8b h ALA 33 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1y8b h ALA 33 Cb 0.79 1.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.69 1y8b h ALA 33 CO 0.03 -0.89 -0.05 0.00 0.00 0.00 0.00 179.25 178.34 1y8b h ALA 34 N 0.52 1.10 0.00 0.00 0.00 -1.97 -2.13 119.26 116.78 1y8b h ALA 34 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1y8b h ALA 34 Cb 0.53 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1y8b h ALA 34 CO -0.77 0.07 -1.03 0.35 0.00 0.00 0.00 179.25 177.87 1y8b h PHE 35 N 0.00 0.00 0.68 0.00 3.57 0.10 -3.17 116.94 118.12 1y8b h PHE 35 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1y8b h PHE 35 Cb 0.32 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.07 1y8b h PHE 35 CO 0.00 0.30 -0.33 -1.49 -2.23 0.00 0.00 178.31 174.56 1y8b h TRP 36 N 0.00 -0.85 0.00 0.41 -0.00 0.26 -3.13 115.95 112.64 1y8b h TRP 36 Ca -0.07 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.80 1y8b h TRP 36 Cb 1.29 0.28 -0.00 0.00 -0.00 0.00 0.00 29.16 30.73 1y8b h TRP 36 CO 0.00 -0.53 -0.36 0.07 -0.00 0.00 0.00 178.44 177.62 1y8b h ARG 37 N -1.17 0.00 -1.11 0.49 0.11 -1.75 -2.92 114.38 108.04 1y8b h ARG 37 Ca -0.09 0.00 0.33 0.00 0.10 0.00 0.00 59.98 60.32 1y8b h ARG 37 Cb 0.70 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 31.66 1y8b h ARG 37 CO 0.15 0.00 0.69 -0.97 0.10 0.00 0.00 179.97 179.95 1y8b h ASN 38 N -1.00 0.42 1.00 0.08 -0.73 -1.77 0.40 115.58 113.98 1y8b h ASN 38 Ca -0.00 0.13 -0.18 0.00 1.87 0.00 0.00 56.30 58.13 1y8b h ASN 38 Cb 0.36 0.08 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 1y8b h ASN 38 CO -0.00 -0.06 -1.06 0.15 -0.37 0.00 0.00 177.43 176.09 1y8b h PHE 39 N 0.29 0.00 -0.50 0.67 3.57 -1.64 -3.17 116.94 116.17 1y8b h PHE 39 Ca 0.71 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.18 1y8b h PHE 39 Cb 1.87 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.59 1y8b h PHE 39 CO -0.01 0.71 0.20 0.22 -2.23 0.00 0.00 178.31 177.21 1y8b h ASP 40 N 0.00 0.68 0.20 0.41 3.58 0.00 -2.90 116.42 118.40 1y8b h ASP 40 Ca -0.09 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.18 1y8b h ASP 40 Cb 1.63 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.50 1y8b h ASP 40 CO 0.08 0.66 -0.09 1.05 -2.88 0.00 0.00 179.24 178.06 1y8b h GLU 41 N 0.66 -0.25 -1.56 0.28 4.11 -1.57 -2.58 114.58 113.67 1y8b h GLU 41 Ca 0.17 0.02 0.45 0.00 0.07 0.00 0.00 59.36 60.06 1y8b h GLU 41 Cb 0.19 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 1y8b h GLU 41 CO -0.01 -0.00 1.13 0.97 0.07 0.00 0.00 179.01 181.16 1y8b h ILE 42 N -1.02 0.21 0.00 -1.06 2.10 -1.63 1.87 117.51 117.98 1y8b h ILE 42 Ca -0.03 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 65.89 1y8b h ILE 42 Cb 0.37 0.21 -0.00 0.00 -1.09 0.00 0.00 36.82 36.31 1y8b h ILE 42 CO 0.04 0.00 -0.21 0.58 -1.08 0.00 0.00 178.15 177.48 1y8b h VAL 43 N 0.00 0.58 0.00 2.19 2.07 -1.54 -2.54 116.25 117.01 1y8b h VAL 43 Ca 0.74 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1y8b h VAL 43 Cb 2.99 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.90 1y8b h VAL 43 CO -0.01 0.20 -0.13 -0.74 0.02 0.00 0.00 177.57 176.91 1y8b h HIS 44 N -1.00 0.00 0.09 1.57 -0.00 -0.79 -0.66 115.15 114.36 1y8b h HIS 44 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 60.37 60.03 1y8b h HIS 44 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1y8b h HIS 44 CO 0.05 0.13 -1.58 -0.44 -0.00 0.00 0.00 177.93 176.09 1y8b h ASP 45 N 0.00 0.29 1.06 3.26 5.19 0.27 -3.35 116.42 123.14 1y8b h ASP 45 Ca -0.00 -0.45 -0.03 0.00 -0.62 0.00 0.00 57.03 55.94 1y8b h ASP 45 Cb 0.76 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 40.17 1y8b h ASP 45 CO 0.02 1.38 -0.95 0.25 -3.12 0.00 0.00 179.24 176.82 1y8b h LEU 46 N 0.05 0.00 -0.32 1.55 6.46 -1.42 -3.37 115.31 118.26 1y8b h LEU 46 Ca -0.25 0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.57 1y8b h LEU 46 Cb 2.00 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.86 1y8b h LEU 46 CO 0.14 0.09 -0.12 0.00 -0.62 0.00 0.00 178.44 177.92 1y8b h ALA 47 N 1.91 0.14 -0.40 1.25 0.00 -1.25 -0.69 119.26 120.22 1y8b h ALA 47 Ca -0.02 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1y8b h ALA 47 Cb 1.09 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1y8b h ALA 47 CO 0.01 -0.51 0.67 -1.35 0.00 0.00 0.00 179.25 178.07 1y8b h PRO 48 N -0.07 0.00 -0.42 0.00 0.11 -1.76 -0.99 132.00 128.87 1y8b h PRO 48 Ca 0.16 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.28 1y8b h PRO 48 Cb 0.31 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1y8b h PRO 48 CO -0.36 0.00 0.27 0.93 -0.21 0.00 0.00 178.00 178.63 1y8b h GLU 49 N 0.00 0.53 -0.36 1.05 5.08 -1.37 -2.16 114.58 117.35 1y8b h GLU 49 Ca 0.19 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1y8b h GLU 49 Cb 1.52 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1y8b h GLU 49 CO -0.00 0.35 -0.29 -0.97 -1.00 0.00 0.00 179.01 177.11 1y8b h ASN 50 N 0.55 0.79 -0.96 1.42 -0.73 -1.33 -0.61 115.58 114.71 1y8b h ASN 50 Ca 0.16 -0.31 0.18 0.00 1.87 0.00 0.00 56.30 58.20 1y8b h ASN 50 Cb -0.04 -0.22 -0.10 0.00 0.27 0.00 0.00 38.32 38.23 1y8b h ASN 50 CO -0.05 1.03 0.56 -0.09 -0.37 0.00 0.00 177.43 178.50 1y8b h ARG 51 N 0.65 0.70 0.13 6.67 9.65 -1.40 0.96 114.38 131.75 1y8b h ARG 51 Ca 0.08 -0.04 -0.22 0.00 -1.10 0.00 0.00 59.98 58.70 1y8b h ARG 51 Cb 0.81 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 29.25 1y8b h ARG 51 CO 0.07 0.46 -1.02 0.37 2.80 0.00 0.00 179.97 182.65 1y8b h GLN 52 N 0.72 0.28 -0.46 0.20 4.15 -1.18 -3.23 115.11 115.60 1y8b h GLN 52 Ca 0.55 -0.49 0.02 0.00 0.77 0.00 0.00 58.65 59.50 1y8b h GLN 52 Cb 0.83 0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.67 1y8b h GLN 52 CO -0.38 1.23 0.28 1.25 -1.93 0.00 0.00 178.83 179.28 1y8b h LEU 53 N -0.35 0.45 -0.88 -2.39 7.12 -0.26 0.15 115.31 119.16 1y8b h LEU 53 Ca -0.20 0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.93 1y8b h LEU 53 Cb 1.69 -0.10 -0.08 0.00 -0.53 0.00 0.00 40.66 41.64 1y8b h LEU 53 CO 0.12 0.32 0.51 0.25 -0.13 0.00 0.00 178.44 179.51 1y8b h LEU 54 N 0.56 0.71 -0.18 2.25 7.12 0.80 0.61 115.31 127.17 1y8b h LEU 54 Ca 0.18 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.25 1y8b h LEU 54 Cb 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 40.06 1y8b h LEU 54 CO -0.08 0.37 0.00 0.00 -0.13 0.00 0.00 178.44 178.60 1y8b h ALA 55 N 1.51 1.00 0.19 1.25 0.00 -1.36 -2.87 119.26 118.97 1y8b h ALA 55 Ca 0.44 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.01 1y8b h ALA 55 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y8b h ALA 55 CO -0.28 0.00 -1.70 1.49 0.00 0.00 0.00 179.25 178.76 1y8b h GLU 56 N 0.00 0.40 0.00 0.00 4.81 0.23 -3.21 114.58 116.81 1y8b h GLU 56 Ca 0.00 -0.69 -0.10 0.00 -0.13 0.00 0.00 59.36 58.44 1y8b h GLU 56 Cb 0.87 0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 1y8b h GLU 56 CO 0.00 1.33 -0.47 -0.09 -0.73 0.00 0.00 179.01 179.05 1y8b h ARG 57 N 0.08 0.00 0.00 1.92 2.43 -0.01 -2.79 114.38 116.01 1y8b h ARG 57 Ca -0.33 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.75 1y8b h ARG 57 Cb 2.08 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.62 1y8b h ARG 57 CO 0.18 0.47 -0.43 0.22 -1.51 0.00 0.00 179.97 178.90 1y8b h ASP 58 N 0.00 0.00 0.88 -3.80 1.82 -1.61 -2.93 116.42 110.77 1y8b h ASP 58 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 1y8b h ASP 58 Cb 0.89 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.89 1y8b h ASP 58 CO 0.06 0.43 -0.18 -0.09 -1.61 0.00 0.00 179.24 177.85 1y8b h ARG 59 N 0.00 0.00 0.00 0.28 9.65 -1.49 -2.53 114.38 120.28 1y8b h ARG 59 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.85 1y8b h ARG 59 Cb 1.02 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1y8b h ARG 59 CO 0.06 0.18 -0.15 0.82 2.80 0.00 0.00 179.97 183.68 1y8b h ILE 60 N 0.00 0.95 -0.39 1.20 2.04 -1.55 -2.91 117.51 116.84 1y8b h ILE 60 Ca -0.00 -1.76 0.03 0.00 1.00 0.00 0.00 64.86 64.14 1y8b h ILE 60 Cb 0.67 1.83 -0.04 0.00 -0.74 0.00 0.00 36.82 38.55 1y8b h ILE 60 CO 0.02 0.32 0.18 0.06 0.00 0.00 0.00 178.15 178.74 1y8b h GLN 61 N -1.00 0.37 -0.45 2.37 3.07 -1.60 0.43 115.11 118.30 1y8b h GLN 61 Ca -0.03 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.73 1y8b h GLN 61 Cb 0.63 -0.08 -0.04 0.00 0.08 0.00 0.00 27.48 28.07 1y8b h GLN 61 CO -0.02 0.24 0.20 0.00 0.09 0.00 0.00 178.83 179.34 1y8b h ALA 62 N 1.22 0.56 0.00 0.06 0.00 -1.60 -0.10 119.26 119.40 1y8b h ALA 62 Ca 0.17 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1y8b h ALA 62 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1y8b h ALA 62 CO -0.13 -0.18 -0.20 0.00 0.00 0.00 0.00 179.25 178.74 1y8b h ALA 63 N 1.27 1.64 -0.10 0.00 0.00 -1.17 -2.74 119.26 118.14 1y8b h ALA 63 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1y8b h ALA 63 Cb 0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y8b h ALA 63 CO -0.17 0.25 -0.08 -0.07 0.00 0.00 0.00 179.25 179.18 1y8b h LEU 64 N 0.00 0.25 -0.17 0.00 3.38 0.83 -2.12 115.31 117.48 1y8b h LEU 64 Ca -0.00 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.57 1y8b h LEU 64 Cb 0.36 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1y8b h LEU 64 CO 0.03 0.65 -0.26 -2.24 0.09 0.00 0.00 178.44 176.71 1y8b h ASP 65 N -0.15 -0.81 -0.09 -0.43 3.04 -0.92 -1.22 116.42 115.84 1y8b h ASP 65 Ca 0.02 0.13 0.04 0.00 -3.24 0.00 0.00 57.03 53.98 1y8b h ASP 65 Cb 0.57 0.36 -0.04 0.00 -1.04 0.00 0.00 39.33 39.18 1y8b h ASP 65 CO 0.02 -0.30 -0.15 -0.08 -2.04 0.00 0.00 179.24 176.69 1y8b h GLU 66 N -0.30 -0.19 -0.56 4.15 4.81 -1.53 -0.93 114.58 120.02 1y8b h GLU 66 Ca 0.11 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.46 1y8b h GLU 66 Cb 0.48 0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.79 1y8b h GLU 66 CO -0.35 -0.13 -0.31 2.35 -0.73 0.00 0.00 179.01 179.85 1y8b h TRP 67 N -0.20 -0.84 -0.64 0.92 7.01 -0.64 0.15 115.95 121.71 1y8b h TRP 67 Ca 0.08 0.07 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1y8b h TRP 67 Cb 0.31 0.45 -0.04 0.00 -2.10 0.00 0.00 29.16 27.79 1y8b h TRP 67 CO -0.24 -0.37 0.41 1.25 -2.79 0.00 0.00 178.44 176.70 1y8b h HIS 68 N -0.16 0.78 -0.54 2.65 2.76 -0.69 -1.51 115.15 118.45 1y8b h HIS 68 Ca 0.23 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.47 1y8b h HIS 68 Cb 0.54 -0.26 -0.05 0.00 1.55 0.00 0.00 27.41 29.19 1y8b h HIS 68 CO -0.60 0.47 0.28 0.00 -1.30 0.00 0.00 177.93 176.78 1y8b h ARG 69 N 0.83 0.53 0.00 5.26 3.08 0.50 0.24 114.38 124.82 1y8b h ARG 69 Ca 0.24 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.26 1y8b h ARG 69 Cb -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1y8b h ARG 69 CO -0.07 0.35 -0.02 0.66 -1.07 0.00 0.00 179.97 179.81 1y8b h SER 70 N 0.54 0.00 -1.36 7.04 4.64 -0.20 -3.36 113.55 120.85 1y8b h SER 70 Ca 0.24 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.33 1y8b h SER 70 Cb 0.14 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.00 1y8b h SER 70 CO -0.16 0.02 -0.59 0.54 -0.87 0.00 0.00 176.83 175.78 1y8b s ASN 71 N -5.57 -0.61 0.85 4.97 2.20 0.29 -5.10 114.94 111.97 1y8b s ASN 71 Ca -0.02 -1.67 -0.12 0.00 -0.94 0.00 0.00 52.86 50.11 1y8b s ASN 71 Cb 0.11 1.35 0.11 0.00 -2.00 0.00 0.00 41.25 40.81 1y8b s ASN 71 CO 0.50 -0.13 1.17 -2.16 -2.94 0.00 0.00 177.10 173.54 1y8b s PRO 72 N 1.09 1.61 0.00 3.55 0.04 0.59 -4.54 135.00 137.34 1y8b s PRO 72 Ca 0.25 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.45 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 -0.07 -1.85 0.00 0.41 0.04 0.00 0.00 177.00 175.52 1y8b n GLY 73 N -2.90 2.16 3.32 0.56 0.00 -1.26 -5.01 105.19 102.07 1y8b n GLY 73 Ca 0.08 -1.91 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 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 1.98 0.16 -1.70 1.61 -0.02 -1.26 -4.77 135.00 130.98 1y8b n PRO 74 Ca 0.00 0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 1y8b n PRO 74 Cb 0.00 -1.19 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.82 2.76 0.00 -1.45 1.01 -1.26 -4.96 120.40 114.68 1y8b s VAL 75 Ca 0.60 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1y8b s VAL 75 Cb -0.53 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.82 1y8b s VAL 75 CO 0.62 -0.00 0.00 0.29 0.00 0.00 0.00 175.10 176.01 1y8b n LYS 76 N 6.50 0.00 -1.43 2.72 5.02 -1.26 -4.89 118.16 124.82 1y8b n LYS 76 Ca 0.19 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.91 1y8b n LYS 76 Cb 0.39 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.31 1y8b n LYS 76 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y8b n ASP 77 N 0.00 1.54 0.19 4.39 9.92 -1.26 -4.77 116.55 126.55 1y8b n ASP 77 Ca 0.00 0.67 0.08 0.00 -0.53 0.00 0.00 54.79 55.01 1y8b n ASP 77 Cb 0.00 -1.07 0.19 0.00 -0.64 0.00 0.00 41.12 39.61 1y8b n ASP 77 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1y8b h LYS 78 N 9.72 0.00 -0.37 -1.24 1.79 -1.95 -3.19 116.57 121.33 1y8b h LYS 78 Ca -0.24 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.21 1y8b h LYS 78 Cb 1.36 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.00 1y8b h LYS 78 CO 1.04 0.27 0.16 0.00 -1.08 0.00 0.00 179.45 179.84 1y8b h ALA 79 N 1.73 1.59 0.08 3.86 0.00 -1.98 0.71 119.26 125.26 1y8b h ALA 79 Ca -0.00 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 1y8b h ALA 79 Cb 1.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1y8b h ALA 79 CO 0.04 0.32 -1.39 0.00 0.00 0.00 0.00 179.25 178.22 1y8b h ALA 80 N 1.67 0.31 0.16 0.00 0.00 -1.94 -3.04 119.26 116.42 1y8b h ALA 80 Ca 0.13 -1.07 -0.32 0.00 0.00 0.00 0.00 54.91 53.65 1y8b h ALA 80 Cb 0.09 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1y8b h ALA 80 CO -0.02 1.18 -1.58 1.88 0.00 0.00 0.00 179.25 180.72 1y8b h TYR 81 N 0.05 0.62 -0.31 0.00 0.05 -1.48 -3.22 116.97 112.68 1y8b h TYR 81 Ca -0.18 -0.45 -0.14 0.00 0.05 0.00 0.00 58.73 58.01 1y8b h TYR 81 Cb 1.96 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.66 1y8b h TYR 81 CO 0.04 1.50 -0.38 1.57 -1.05 0.00 0.00 178.16 179.83 1y8b h LYS 82 N 0.09 0.72 0.50 4.88 5.09 0.29 -2.63 116.57 125.51 1y8b h LYS 82 Ca -0.27 -0.37 -0.02 0.00 0.09 0.00 0.00 60.65 60.08 1y8b h LYS 82 Cb 2.06 0.01 0.00 0.00 0.10 0.00 0.00 32.23 34.41 1y8b h LYS 82 CO 0.19 0.98 -0.24 1.03 -2.09 0.00 0.00 179.45 179.32 1y8b h SER 83 N 0.59 -0.56 -0.96 7.07 0.87 -1.65 -2.64 113.55 116.27 1y8b h SER 83 Ca 0.05 -0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.72 1y8b h SER 83 Cb 0.92 0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 62.95 1y8b h SER 83 CO 0.08 -0.35 0.61 -0.26 -0.53 0.00 0.00 176.83 176.38 1y8b h PHE 84 N -0.74 1.05 -0.56 2.24 -1.00 -1.57 0.12 116.94 116.48 1y8b h PHE 84 Ca -0.07 0.03 0.14 0.00 2.81 0.00 0.00 57.97 60.88 1y8b h PHE 84 Cb 0.54 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.74 1y8b h PHE 84 CO -0.03 0.42 0.39 -0.07 -1.61 0.00 0.00 178.31 177.42 1y8b h LEU 85 N 0.92 0.12 -0.68 1.54 3.38 -1.11 0.87 115.31 120.35 1y8b h LEU 85 Ca 0.47 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.31 1y8b h LEU 85 Cb 0.52 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1y8b h LEU 85 CO -0.24 0.07 -0.65 0.03 0.09 0.00 0.00 178.44 177.74 1y8b h ARG 86 N 0.13 0.05 0.16 1.13 3.08 -0.54 2.91 114.38 121.29 1y8b h ARG 86 Ca 0.27 -0.04 -0.33 0.00 0.07 0.00 0.00 59.98 59.95 1y8b h ARG 86 Cb 0.88 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.95 1y8b h ARG 86 CO -0.03 0.68 -1.63 1.49 -1.07 0.00 0.00 179.97 179.41 1y8b h GLU 87 N 0.03 0.35 0.00 0.04 4.81 0.08 -3.35 114.58 116.54 1y8b h GLU 87 Ca -0.01 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1y8b h GLU 87 Cb 1.15 0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1y8b h GLU 87 CO 0.09 1.24 -1.00 -0.11 -0.73 0.00 0.00 179.01 178.51 1y8b n LEU 88 N -3.54 0.00 -0.07 1.64 0.00 0.25 -4.62 117.00 110.66 1y8b n LEU 88 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.81 1y8b n LEU 88 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.49 1y8b n LEU 88 CO 0.52 0.00 0.30 0.61 0.00 0.00 0.00 177.39 178.82 1y8b n GLY 89 N 2.95 -0.42 4.05 -3.96 0.00 0.96 -4.80 105.19 103.97 1y8b n GLY 89 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.41 -2.00 -3.41 1.61 9.36 -0.53 -4.81 117.16 116.98 1y8b n TYR 90 Ca 0.00 0.83 -0.38 0.00 3.32 0.00 0.00 57.90 61.67 1y8b n TYR 90 Cb 0.02 -3.40 -0.06 0.00 -0.63 0.00 0.00 39.34 35.28 1y8b n TYR 90 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1y8b s LEU 91 N -7.25 4.46 -0.03 2.98 0.20 -0.94 -5.00 118.68 113.09 1y8b s LEU 91 Ca 0.70 1.02 -0.07 0.00 0.69 0.00 0.00 54.13 56.47 1y8b s LEU 91 Cb -0.37 -2.68 0.01 0.00 -0.43 0.00 0.00 46.19 42.72 1y8b s LEU 91 CO 0.86 0.26 0.15 0.68 -0.29 0.00 0.00 176.35 178.02 1y8b s VAL 92 N -0.82 0.04 0.44 1.68 -7.23 -1.26 -4.63 120.40 108.63 1y8b s VAL 92 Ca 0.25 -0.34 -0.21 0.00 -1.81 0.00 0.00 61.98 59.87 1y8b s VAL 92 Cb -0.17 -0.34 -0.12 0.00 0.56 0.00 0.00 36.38 36.31 1y8b s VAL 92 CO 0.14 -0.18 0.46 -2.65 -0.31 0.00 0.00 175.10 172.56 1y8b n PRO 93 N 2.24 0.48 -3.73 4.82 -0.02 -1.26 -4.97 135.00 132.56 1y8b n PRO 93 Ca -0.17 0.18 -0.29 0.00 -2.02 0.00 0.00 63.50 61.20 1y8b n PRO 93 Cb 0.57 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.56 1y8b n PRO 93 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1y8b s GLN 94 N -1.56 3.53 0.00 -0.52 -2.07 -1.26 -4.92 119.66 112.86 1y8b s GLN 94 Ca 0.63 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.86 1y8b s GLN 94 Cb -0.58 -2.87 0.00 0.00 -1.09 0.00 0.00 33.01 28.47 1y8b s GLN 94 CO 0.58 0.44 0.14 -2.30 -1.32 0.00 0.00 175.29 172.84 1y8b n PRO 95 N -0.39 0.00 0.00 9.60 -0.02 -1.26 -4.69 135.00 138.24 1y8b n PRO 95 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1y8b n PRO 95 Cb 0.53 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1y8b n PRO 95 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1y8b n GLU 96 N -0.55 0.00 -3.49 -0.52 1.02 -1.26 -4.84 120.64 111.00 1y8b n GLU 96 Ca 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.99 1y8b n GLU 96 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.37 1y8b n GLU 96 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1y8b s ARG 97 N 0.00 1.08 -0.02 3.49 1.70 -1.26 -5.16 118.95 118.78 1y8b s ARG 97 Ca 0.00 0.01 -0.23 0.00 -0.47 0.00 0.00 55.73 55.04 1y8b s ARG 97 Cb 0.00 0.51 0.05 0.00 -0.57 0.00 0.00 34.95 34.93 1y8b s ARG 97 CO 0.00 -0.39 0.50 0.08 -1.08 0.00 0.00 175.30 174.41 1y8b s VAL 98 N -2.04 0.03 0.16 4.99 1.01 -1.26 -5.11 120.40 118.17 1y8b s VAL 98 Ca -0.06 -0.24 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1y8b s VAL 98 Cb -0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1y8b s VAL 98 CO 0.02 -0.13 -0.18 0.42 0.00 0.00 0.00 175.10 175.22 1y8b s THR 99 N -1.39 1.77 0.24 3.92 -4.23 -1.26 -4.36 115.64 110.35 1y8b s THR 99 Ca -0.12 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 1y8b s THR 99 Cb -0.02 -1.80 -0.09 0.00 1.34 0.00 0.00 72.50 71.93 1y8b s THR 99 CO 0.06 -0.30 0.95 -0.69 -0.54 0.00 0.00 174.62 174.10 1y8b s VAL 100 N -1.98 4.03 -0.17 2.29 1.01 -0.74 -4.71 120.40 120.14 1y8b s VAL 100 Ca 0.14 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 64.15 1y8b s VAL 100 Cb -0.06 -4.30 0.05 0.00 0.00 0.00 0.00 36.38 32.07 1y8b s VAL 100 CO 0.06 0.48 -0.00 -1.61 0.00 0.00 0.00 175.10 174.03 1y8b s GLU 101 N -1.21 0.97 0.29 2.72 2.02 -1.25 -4.94 118.70 117.30 1y8b s GLU 101 Ca 0.41 -0.41 -0.20 0.00 0.02 0.00 0.00 54.97 54.79 1y8b s GLU 101 Cb -0.26 -1.94 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1y8b s GLU 101 CO 0.33 -0.52 0.74 -0.08 0.02 0.00 0.00 175.26 175.74 1y8b s THR 102 N 1.77 0.00 0.15 3.63 -1.32 -1.26 -4.12 115.64 114.49 1y8b s THR 102 Ca 0.00 -0.99 0.10 0.00 -1.21 0.00 0.00 61.69 59.59 1y8b s THR 102 Cb -0.16 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1y8b s THR 102 CO -0.07 0.00 -0.24 -0.89 -2.21 0.00 0.00 174.62 171.21 1y8b s THR 103 N -3.66 2.14 -0.51 5.08 2.01 -1.26 -4.71 115.64 114.74 1y8b s THR 103 Ca 0.12 -1.85 -0.01 0.00 0.31 0.00 0.00 61.69 60.25 1y8b s THR 103 Cb -0.06 -1.95 0.00 0.00 0.01 0.00 0.00 72.50 70.50 1y8b s THR 103 CO 0.08 -0.07 0.13 0.61 -0.69 0.00 0.00 174.62 174.68 1y8b n GLY 104 N 0.60 0.24 0.84 4.40 0.00 -1.26 -4.20 105.19 105.81 1y8b n GLY 104 Ca -0.15 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 1y8b n GLY 104 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y8b n ILE 105 N -3.74 0.00 -3.87 -0.61 2.08 -1.26 -4.92 119.36 107.04 1y8b n ILE 105 Ca -0.05 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.10 1y8b n ILE 105 Cb 0.54 -0.13 -0.16 0.00 -0.75 0.00 0.00 39.64 39.15 1y8b n ILE 105 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 1y8b s ASP 106 N -1.60 0.25 0.30 4.38 1.01 -1.26 -5.02 116.67 114.72 1y8b s ASP 106 Ca 0.09 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.35 1y8b s ASP 106 Cb -0.02 -0.14 0.71 0.00 1.01 0.00 0.00 42.92 44.48 1y8b s ASP 106 CO 0.07 -0.10 1.54 -1.20 0.21 0.00 0.00 175.17 175.70 1y8b n SER 107 N 4.03 -0.15 -0.12 0.27 7.64 -1.26 0.10 113.62 124.13 1y8b n SER 107 Ca -0.26 1.68 -0.09 0.00 1.01 0.00 0.00 58.87 61.21 1y8b n SER 107 Cb 0.51 -0.60 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.20 -0.00 1.43 4.39 -1.91 1.12 114.58 119.41 1y8b h GLU 108 Ca 0.58 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.29 1y8b h GLU 108 Cb 1.16 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1y8b h GLU 108 CO -0.94 -0.13 -0.29 1.51 -1.16 0.00 0.00 179.01 177.99 1y8b n ILE 109 N -4.41 0.00 -0.07 3.13 3.06 -0.27 -2.63 119.36 118.17 1y8b n ILE 109 Ca -0.02 -0.02 -0.22 0.00 -2.50 0.00 0.00 62.75 59.99 1y8b n ILE 109 Cb 0.21 0.02 -0.12 0.00 0.54 0.00 0.00 39.64 40.28 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 -1.35 1.62 -2.14 9.51 -1.04 0.28 -4.55 114.28 116.60 1y8b n THR 110 Ca 0.08 -0.40 -0.02 0.00 -2.04 0.00 0.00 64.05 61.66 1y8b n THR 110 Cb 0.33 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.00 1y8b n THR 110 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1y8b n SER 111 N -3.87 -0.21 -3.43 8.00 3.41 0.34 -4.66 113.62 113.20 1y8b n SER 111 Ca -0.38 -1.87 -0.21 0.00 -0.26 0.00 0.00 58.87 56.15 1y8b n SER 111 Cb 0.90 0.05 -0.08 0.00 -0.26 0.00 0.00 64.21 64.82 1y8b n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y8b n GLN 112 N 0.14 0.46 0.00 4.33 6.02 0.16 -4.83 117.38 123.67 1y8b n GLN 112 Ca -0.12 -3.37 0.00 0.00 -0.01 0.00 0.00 57.00 53.50 1y8b n GLN 112 Cb 0.80 2.47 0.00 0.00 1.02 0.00 0.00 30.24 34.53 1y8b n GLN 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y8b n ALA 113 N -0.82 0.00 -3.84 -1.58 0.00 -1.26 -4.57 120.51 108.43 1y8b n ALA 113 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.30 1y8b n ALA 113 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 1y8b n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1y8b s GLY 114 N 0.00 -0.09 0.37 0.00 0.00 -1.26 -4.53 107.32 101.82 1y8b s GLY 114 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 44.72 44.47 1y8b s GLY 114 CO 0.00 2.47 0.91 -1.05 0.00 0.00 0.00 173.10 175.43 1y8b n PRO 115 N -0.68 1.17 -4.77 2.90 -0.02 -1.26 -4.18 135.00 128.16 1y8b n PRO 115 Ca -0.03 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.54 1y8b n PRO 115 Cb 0.60 -1.85 -0.14 0.00 -0.02 0.00 0.00 33.50 32.09 1y8b n PRO 115 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1y8b s GLN 116 N -1.76 3.10 -0.04 -0.52 -2.07 0.78 -3.47 119.66 115.68 1y8b s GLN 116 Ca 0.62 -0.66 0.06 0.00 -1.82 0.00 0.00 55.36 53.56 1y8b s GLN 116 Cb -0.62 -2.58 -0.02 0.00 -1.09 0.00 0.00 33.01 28.70 1y8b s GLN 116 CO 0.58 0.37 -0.21 -1.17 -1.32 0.00 0.00 175.29 173.54 1y8b s LEU 117 N -0.06 2.31 0.34 2.60 0.20 -1.09 -1.57 118.68 121.41 1y8b s LEU 117 Ca -0.02 -0.37 -0.15 0.00 0.69 0.00 0.00 54.13 54.28 1y8b s LEU 117 Cb -0.14 -1.42 -0.09 0.00 -0.43 0.00 0.00 46.19 44.11 1y8b s LEU 117 CO 0.04 0.32 0.75 -0.69 -0.29 0.00 0.00 176.35 176.48 1y8b s VAL 118 N -0.60 4.68 0.22 1.68 1.01 -1.26 -3.33 120.40 122.79 1y8b s VAL 118 Ca 0.09 0.93 0.09 0.00 0.00 0.00 0.00 61.98 63.09 1y8b s VAL 118 Cb -0.11 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1y8b s VAL 118 CO -0.00 -0.25 -0.16 0.68 0.00 0.00 0.00 175.10 175.37 1y8b s VAL 119 N -2.06 1.96 0.19 2.92 -7.23 -1.06 -4.93 120.40 110.19 1y8b s VAL 119 Ca 0.54 -2.24 -0.08 0.00 -1.81 0.00 0.00 61.98 58.40 1y8b s VAL 119 Cb -0.10 -2.10 -0.06 0.00 0.56 0.00 0.00 36.38 34.68 1y8b s VAL 119 CO 0.19 -0.51 -0.02 -2.65 -0.31 0.00 0.00 175.10 171.80 1y8b n PRO 120 N -0.37 0.00 -0.00 4.82 -0.02 -1.26 -4.11 135.00 134.05 1y8b n PRO 120 Ca -0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.37 1y8b n PRO 120 Cb 0.60 -0.41 -0.02 0.00 -0.02 0.00 0.00 33.50 33.65 1y8b n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y8b h ALA 121 N 0.04 -0.52 -1.46 3.55 0.00 -1.90 -3.28 119.26 115.71 1y8b h ALA 121 Ca -0.16 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.32 1y8b h ALA 121 Cb 0.59 0.67 -0.40 0.00 0.00 0.00 0.00 17.79 18.66 1y8b h ALA 121 CO 0.18 -0.56 -1.19 -1.33 0.00 0.00 0.00 179.25 176.35 1y8b n MET 122 N -3.16 1.06 -4.68 0.00 2.81 -1.26 -0.80 117.12 111.09 1y8b n MET 122 Ca -0.01 -3.29 -0.32 0.00 -1.81 0.00 0.00 57.70 52.26 1y8b n MET 122 Cb 0.08 -1.45 -0.07 0.00 -0.71 0.00 0.00 33.22 31.07 1y8b n MET 122 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1y8b n ASN 123 N 0.10 3.27 0.00 7.83 5.15 -1.26 -4.45 115.26 125.90 1y8b n ASN 123 Ca 0.16 -3.24 0.00 0.00 -0.60 0.00 0.00 54.58 50.91 1y8b n ASN 123 Cb 0.74 0.40 0.00 0.00 -0.53 0.00 0.00 39.78 40.40 1y8b n ASN 123 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1y8b n ALA 124 N -1.35 1.08 0.16 5.20 0.00 -1.26 -4.73 120.51 119.60 1y8b n ALA 124 Ca -0.21 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 1y8b n ALA 124 Cb 0.65 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.07 1y8b n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y8b h ARG 125 N 0.00 -0.39 0.00 0.00 3.08 -1.92 -2.53 114.38 112.62 1y8b h ARG 125 Ca 0.00 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1y8b h ARG 125 Cb 0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1y8b h ARG 125 CO 0.00 -0.26 0.18 -0.92 -1.07 0.00 0.00 179.97 177.90 1y8b h TYR 126 N -0.48 0.00 0.00 3.04 5.03 -1.97 0.39 116.97 122.98 1y8b h TYR 126 Ca -0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1y8b h TYR 126 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.59 1y8b h TYR 126 CO 0.12 0.00 0.00 0.00 -1.32 0.00 0.00 178.16 176.96 1y8b h ALA 127 N 1.64 1.00 -1.02 1.82 0.00 -1.74 -3.02 119.26 117.93 1y8b h ALA 127 Ca 0.00 0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.23 1y8b h ALA 127 Cb 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.00 1y8b h ALA 127 CO 0.00 0.00 0.59 -0.07 0.00 0.00 0.00 179.25 179.77 1y8b h LEU 128 N 0.00 0.51 -0.02 0.00 3.38 -0.03 1.98 115.31 121.13 1y8b h LEU 128 Ca 0.00 0.18 -0.24 0.00 0.09 0.00 0.00 57.88 57.91 1y8b h LEU 128 Cb 0.42 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1y8b h LEU 128 CO 0.00 -0.12 -1.08 -1.13 0.09 0.00 0.00 178.44 176.20 1y8b h ASN 129 N 0.32 0.29 0.00 -0.43 -1.24 -1.75 -2.61 115.58 110.17 1y8b h ASN 129 Ca 0.73 -0.29 0.00 0.00 0.71 0.00 0.00 56.30 57.45 1y8b h ASN 129 Cb 1.70 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.66 1y8b h ASN 129 CO -0.58 1.18 -0.19 0.00 -1.29 0.00 0.00 177.43 176.56 1y8b h ALA 130 N 0.78 0.00 -0.45 1.57 0.00 0.44 -2.89 119.26 118.71 1y8b h ALA 130 Ca -0.08 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1y8b h ALA 130 Cb 1.79 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.70 1y8b h ALA 130 CO 0.17 0.19 0.03 0.00 0.00 0.00 0.00 179.25 179.64 1y8b h ALA 131 N -1.11 0.45 -0.06 0.00 0.00 0.25 0.45 119.26 119.24 1y8b h ALA 131 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1y8b h ALA 131 Cb 0.19 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1y8b h ALA 131 CO 0.00 -0.37 0.00 0.09 0.00 0.00 0.00 179.25 178.97 1y8b n ASN 132 N -5.18 0.80 0.00 0.00 5.03 -0.98 -3.50 115.26 111.43 1y8b n ASN 132 Ca 0.04 -2.03 0.00 0.00 0.87 0.00 0.00 54.58 53.46 1y8b n ASN 132 Cb 0.23 -0.24 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1y8b n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y8b n ALA 133 N -0.16 0.90 -0.16 5.41 0.00 0.16 -1.98 120.51 124.68 1y8b n ALA 133 Ca 0.02 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.68 1y8b n ALA 133 Cb 0.17 -0.68 0.62 0.00 0.00 0.00 0.00 19.45 19.56 1y8b n ALA 133 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1y8b h ARG 134 N 0.00 0.18 0.00 0.00 0.11 -1.80 -3.02 114.38 109.85 1y8b h ARG 134 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1y8b h ARG 134 Cb 0.11 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1y8b h ARG 134 CO 0.00 0.12 0.00 0.91 0.10 0.00 0.00 179.97 181.10 1y8b n TRP 135 N -4.40 0.00 -0.00 4.08 8.01 -0.84 -3.61 117.44 120.69 1y8b n TRP 135 Ca 0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.35 1y8b n TRP 135 Cb 0.75 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.05 1y8b n TRP 135 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1y8b n GLY 136 N 0.00 0.59 3.43 6.99 0.00 -1.23 -1.69 105.19 113.28 1y8b n GLY 136 Ca 0.00 -0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.53 1y8b n GLY 136 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y8b n SER 137 N -0.00 1.63 -0.03 1.61 3.41 -1.26 -2.59 113.62 116.39 1y8b n SER 137 Ca 0.00 0.33 -0.13 0.00 -0.26 0.00 0.00 58.87 58.81 1y8b n SER 137 Cb 0.00 -1.18 -0.09 0.00 -0.26 0.00 0.00 64.21 62.68 1y8b n SER 137 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1y8b h LEU 138 N 12.49 0.10 -1.05 1.04 6.46 -0.24 0.45 115.31 134.57 1y8b h LEU 138 Ca -0.20 -0.51 0.06 0.00 -0.12 0.00 0.00 57.88 57.11 1y8b h LEU 138 Cb 1.33 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.17 1y8b h LEU 138 CO 1.10 0.60 0.63 1.88 -0.62 0.00 0.00 178.44 182.03 1y8b h TYR 139 N -0.39 1.16 0.00 1.25 -1.99 -1.87 -0.61 116.97 114.52 1y8b h TYR 139 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1y8b h TYR 139 Cb 0.57 -0.38 0.00 0.00 2.00 0.00 0.00 36.73 38.92 1y8b h TYR 139 CO 0.10 0.61 -0.32 0.22 -0.00 0.00 0.00 178.16 178.77 1y8b h ASP 140 N 1.14 0.00 -0.10 3.88 1.82 -1.90 -2.95 116.42 118.31 1y8b h ASP 140 Ca 0.42 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 57.02 1y8b h ASP 140 Cb 0.16 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 1y8b h ASP 140 CO -0.16 0.02 0.04 0.00 -1.61 0.00 0.00 179.24 177.53 1y8b h ALA 141 N 2.20 0.13 0.12 -0.78 0.00 0.16 -3.10 119.26 117.99 1y8b h ALA 141 Ca 0.00 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1y8b h ALA 141 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1y8b h ALA 141 CO 0.00 -0.29 -1.59 -0.07 0.00 0.00 0.00 179.25 177.29 1y8b h LEU 142 N 0.01 0.40 -0.90 0.00 3.38 -1.65 -3.34 115.31 113.21 1y8b h LEU 142 Ca 0.03 -0.59 0.25 0.00 0.09 0.00 0.00 57.88 57.67 1y8b h LEU 142 Cb 0.15 -0.13 -0.14 0.00 0.09 0.00 0.00 40.66 40.63 1y8b h LEU 142 CO -0.00 1.49 0.29 0.22 0.09 0.00 0.00 178.44 180.53 1y8b h TYR 143 N 0.07 0.44 -0.94 1.13 5.03 -1.55 0.61 116.97 121.77 1y8b h TYR 143 Ca -0.27 0.05 -0.58 0.00 2.58 0.00 0.00 58.73 60.51 1y8b h TYR 143 Cb 2.03 -0.05 -0.24 0.00 1.55 0.00 0.00 36.73 40.02 1y8b h TYR 143 CO 0.07 -0.21 0.74 0.41 -1.32 0.00 0.00 178.16 177.85 1y8b n GLY 144 N -1.37 5.28 3.20 1.82 0.00 -1.17 -4.92 105.19 108.04 1y8b n GLY 144 Ca 0.23 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 1y8b n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y8b s SER 145 N -1.10 0.44 -0.09 1.61 1.04 0.21 -4.21 113.70 111.61 1y8b s SER 145 Ca 0.54 -1.31 0.09 0.00 0.48 0.00 0.00 55.95 55.75 1y8b s SER 145 Cb 0.42 0.30 0.43 0.00 0.10 0.00 0.00 66.02 67.27 1y8b s SER 145 CO -0.05 -0.77 1.23 -0.90 0.98 0.00 0.00 173.24 173.73 1y8b n ASP 146 N -0.24 3.16 0.11 7.02 5.68 -1.26 -3.85 116.55 127.17 1y8b n ASP 146 Ca -0.01 -2.34 0.12 0.00 -0.50 0.00 0.00 54.79 52.05 1y8b n ASP 146 Cb 0.65 -0.49 0.18 0.00 -1.14 0.00 0.00 41.12 40.32 1y8b n ASP 146 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1y8b h ILE 147 N 2.29 0.00 -3.54 2.12 2.04 -1.93 -3.41 117.51 115.08 1y8b h ILE 147 Ca 0.00 -0.71 -0.70 0.00 1.00 0.00 0.00 64.86 64.45 1y8b h ILE 147 Cb 1.07 1.44 -0.20 0.00 -0.74 0.00 0.00 36.82 38.39 1y8b h ILE 147 CO 0.18 0.00 -0.33 -0.63 0.00 0.00 0.00 178.15 177.38 1y8b s ILE 148 N -3.21 5.18 -0.30 -0.67 -1.09 -1.25 -4.95 121.20 114.92 1y8b s ILE 148 Ca 0.06 -0.44 -0.43 0.00 -2.23 0.00 0.00 60.65 57.61 1y8b s ILE 148 Cb 0.11 -3.96 -0.18 0.00 -1.58 0.00 0.00 42.46 36.85 1y8b s ILE 148 CO 0.70 -0.32 1.57 -2.65 -1.23 0.00 0.00 174.94 173.00 1y8b n PRO 149 N 5.36 0.55 0.00 2.79 -0.02 -1.26 -4.63 135.00 137.79 1y8b n PRO 149 Ca -0.09 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1y8b n PRO 149 Cb 0.47 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1y8b n PRO 149 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1y8b n GLN 150 N 4.08 0.00 0.00 -0.52 7.27 -1.26 -5.12 117.38 121.83 1y8b n GLN 150 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.34 1y8b n GLN 150 Cb 0.05 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.70 1y8b n GLN 150 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1y8b n GLU 151 N -0.96 0.00 0.00 3.69 4.07 -1.26 -5.05 120.64 121.12 1y8b n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1y8b n GLU 151 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1y8b n GLU 151 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1y8b n GLY 152 N -0.69 0.00 3.15 8.31 0.00 -1.26 -4.80 105.19 109.90 1y8b n GLY 152 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -0.87 -0.35 4.61 0.00 -1.26 -4.11 121.76 119.78 1y8b s ALA 153 Ca 0.00 1.26 0.15 0.00 0.00 0.00 0.00 51.96 53.37 1y8b s ALA 153 Cb 0.00 -1.09 0.43 0.00 0.00 0.00 0.00 23.12 22.47 1y8b s ALA 153 CO 0.00 -0.58 0.92 -1.33 0.00 0.00 0.00 175.76 174.77 1y8b n MET 154 N 5.09 1.37 0.07 0.00 2.81 -1.26 -4.88 117.12 120.33 1y8b n MET 154 Ca -0.12 -3.43 -0.13 0.00 -1.81 0.00 0.00 57.70 52.22 1y8b n MET 154 Cb 0.51 -1.45 -0.13 0.00 -0.71 0.00 0.00 33.22 31.44 1y8b n MET 154 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1y8b h VAL 155 N 2.59 1.48 -3.44 2.03 3.04 -2.03 -3.46 116.25 116.46 1y8b h VAL 155 Ca -0.02 -3.12 -0.41 0.00 -1.01 0.00 0.00 66.70 62.14 1y8b h VAL 155 Cb 1.10 2.85 0.20 0.00 -2.01 0.00 0.00 31.29 33.43 1y8b h VAL 155 CO 0.54 0.89 0.12 -0.94 -1.01 0.00 0.00 177.57 177.17 1y8b s SER 156 N -6.90 0.62 0.00 3.17 1.04 -1.26 -5.04 113.70 105.33 1y8b s SER 156 Ca -0.03 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.94 1y8b s SER 156 Cb 0.08 -0.71 0.00 0.00 0.10 0.00 0.00 66.02 65.49 1y8b s SER 156 CO 0.85 -4.30 0.00 0.61 0.98 0.00 0.00 173.24 171.39 1y8b n GLY 157 N -0.91 -1.59 3.73 7.32 0.00 -1.26 -4.95 105.19 107.53 1y8b n GLY 157 Ca 0.15 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 1y8b n GLY 157 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y8b s TYR 158 N 0.00 3.57 -0.38 1.61 -0.85 -1.26 -5.03 117.35 115.01 1y8b s TYR 158 Ca 0.00 1.11 -0.19 0.00 -0.52 0.00 0.00 57.07 57.47 1y8b s TYR 158 Cb 0.00 -2.68 0.01 0.00 0.38 0.00 0.00 41.96 39.67 1y8b s TYR 158 CO 0.00 0.16 0.53 0.34 -1.52 0.00 0.00 175.55 175.06 1y8b s ASP 159 N 0.58 6.30 0.44 -0.18 -1.08 -1.26 -4.92 116.67 116.55 1y8b s ASP 159 Ca 0.32 -0.18 0.08 0.00 -0.52 0.00 0.00 52.55 52.25 1y8b s ASP 159 Cb -0.17 -2.27 0.44 0.00 -1.46 0.00 0.00 42.92 39.46 1y8b s ASP 159 CO 0.15 -0.56 1.12 -0.65 0.52 0.00 0.00 175.17 175.75 1y8b h PRO 160 N 8.59 0.00 0.03 4.34 0.11 -2.00 0.52 132.00 143.59 1y8b h PRO 160 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1y8b h PRO 160 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1y8b h PRO 160 CO 0.80 0.00 -0.32 0.37 -0.21 0.00 0.00 178.00 178.64 1y8b h GLN 161 N 0.00 0.06 -0.16 1.05 5.75 -2.02 -3.27 115.11 116.53 1y8b h GLN 161 Ca 0.00 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.37 1y8b h GLN 161 Cb 1.22 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.80 1y8b h GLN 161 CO 0.00 1.05 0.00 0.00 -2.65 0.00 0.00 178.83 177.23 1y8b h ARG 162 N -0.86 0.22 0.00 1.69 3.08 -1.31 -0.78 114.38 116.42 1y8b h ARG 162 Ca -0.07 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1y8b h ARG 162 Cb 1.17 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 1y8b h ARG 162 CO 0.01 0.24 -0.09 0.78 -1.07 0.00 0.00 179.97 179.84 1y8b h GLY 163 N 0.45 0.00 0.52 0.04 0.00 -1.60 -2.36 103.07 100.14 1y8b h GLY 163 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1y8b h GLY 163 CO 0.00 0.00 -0.03 0.83 0.00 0.00 0.00 176.54 177.35 1y8b h GLU 164 N 0.00 0.06 0.00 4.80 5.08 -1.19 -2.89 114.58 120.44 1y8b h GLU 164 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1y8b h GLU 164 Cb 0.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1y8b h GLU 164 CO 0.01 0.56 -0.11 1.96 -1.00 0.00 0.00 179.01 180.43 1y8b h GLN 165 N -0.44 0.00 0.00 2.33 7.50 -1.53 -1.40 115.11 121.58 1y8b h GLN 165 Ca 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.13 1y8b h GLN 165 Cb 0.55 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.08 1y8b h GLN 165 CO 0.01 0.11 -0.08 0.28 -1.50 0.00 0.00 178.83 177.64 1y8b h VAL 166 N 0.00 0.27 -0.05 -0.54 2.07 -1.22 -2.94 116.25 113.83 1y8b h VAL 166 Ca -0.00 -0.61 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 1y8b h VAL 166 Cb 0.36 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1y8b h VAL 166 CO 0.01 0.08 -0.25 0.40 0.02 0.00 0.00 177.57 177.83 1y8b h ILE 167 N 0.00 1.45 0.76 4.57 1.08 -1.15 -2.94 117.51 121.29 1y8b h ILE 167 Ca -0.00 -1.70 -0.04 0.00 -0.39 0.00 0.00 64.86 62.73 1y8b h ILE 167 Cb 0.47 2.40 0.01 0.00 -3.07 0.00 0.00 36.82 36.63 1y8b h ILE 167 CO 0.01 0.48 -0.37 0.00 -0.69 0.00 0.00 178.15 177.58 1y8b h ALA 168 N 0.40 -1.03 -0.51 1.87 0.00 -1.61 0.50 119.26 118.89 1y8b h ALA 168 Ca -0.02 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1y8b h ALA 168 Cb 0.91 0.40 -0.10 0.00 0.00 0.00 0.00 17.79 19.00 1y8b h ALA 168 CO 0.05 -1.07 -0.40 -1.49 0.00 0.00 0.00 179.25 176.34 1y8b h TRP 169 N -1.04 -1.16 -0.03 0.00 4.06 -1.63 0.19 115.95 116.33 1y8b h TRP 169 Ca -0.10 0.07 -0.08 0.00 2.06 0.00 0.00 58.89 60.84 1y8b h TRP 169 Cb 0.79 0.58 -0.01 0.00 -1.00 0.00 0.00 29.16 29.52 1y8b h TRP 169 CO -0.02 -0.42 -0.37 0.28 -3.56 0.00 0.00 178.44 174.36 1y8b h VAL 170 N -0.25 1.27 0.00 1.49 2.07 -1.43 -2.43 116.25 116.98 1y8b h VAL 170 Ca 0.18 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.38 1y8b h VAL 170 Cb 0.57 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1y8b h VAL 170 CO -0.64 0.38 -0.01 -0.09 0.02 0.00 0.00 177.57 177.23 1y8b h ARG 171 N 0.06 0.00 -0.12 1.57 1.12 0.31 0.17 114.38 117.49 1y8b h ARG 171 Ca 0.00 0.00 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 1y8b h ARG 171 Cb 0.68 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.65 1y8b h ARG 171 CO 0.05 0.01 -0.48 -0.09 -3.11 0.00 0.00 179.97 176.35 1y8b h ARG 172 N 0.00 0.54 0.15 0.20 2.43 -0.82 -3.11 114.38 113.77 1y8b h ARG 172 Ca -0.00 -0.42 -0.29 0.00 -0.81 0.00 0.00 59.98 58.46 1y8b h ARG 172 Cb 0.02 0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1y8b h ARG 172 CO 0.00 1.04 -1.30 0.74 -1.51 0.00 0.00 179.97 178.95 1y8b h PHE 173 N 0.16 0.58 -0.02 2.20 0.04 -1.47 -3.14 116.94 115.28 1y8b h PHE 173 Ca -0.03 -0.42 0.03 0.00 2.80 0.00 0.00 57.97 60.36 1y8b h PHE 173 Cb 1.11 -0.02 -0.06 0.00 2.20 0.00 0.00 35.95 39.19 1y8b h PHE 173 CO 0.11 1.34 -0.39 -0.07 -0.60 0.00 0.00 178.31 178.70 1y8b h LEU 174 N 0.09 -1.18 0.00 1.54 3.38 -0.75 0.19 115.31 118.58 1y8b h LEU 174 Ca -0.16 0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1y8b h LEU 174 Cb 2.01 0.47 -0.03 0.00 0.09 0.00 0.00 40.66 43.20 1y8b h LEU 174 CO 0.22 -0.43 -0.16 -2.24 0.09 0.00 0.00 178.44 175.92 1y8b h ASP 175 N -0.53 -0.45 -0.41 -0.43 3.04 -1.65 1.01 116.42 117.00 1y8b h ASP 175 Ca 0.06 0.07 0.08 0.00 -3.24 0.00 0.00 57.03 54.00 1y8b h ASP 175 Cb 0.62 0.19 -0.09 0.00 -1.04 0.00 0.00 39.33 39.01 1y8b h ASP 175 CO -0.31 -0.22 -0.27 -0.33 -2.04 0.00 0.00 179.24 176.07 1y8b h GLU 176 N -0.26 -0.19 0.18 4.15 5.08 -1.34 2.18 114.58 124.38 1y8b h GLU 176 Ca 0.05 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1y8b h GLU 176 Cb 0.32 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1y8b h GLU 176 CO -0.15 -0.13 -0.09 0.77 -1.00 0.00 0.00 179.01 178.42 1y8b h SER 177 N -0.20 -0.20 -2.62 1.42 0.02 -0.11 -3.37 113.55 108.49 1y8b h SER 177 Ca 0.19 -0.22 -0.60 0.00 -0.84 0.00 0.00 61.79 60.31 1y8b h SER 177 Cb 0.50 0.05 -0.41 0.00 0.14 0.00 0.00 62.40 62.68 1y8b h SER 177 CO -0.52 0.13 -0.70 0.18 -1.14 0.00 0.00 176.83 174.78 1y8b n LEU 178 N -5.06 2.36 -4.55 5.07 4.77 0.34 -5.06 117.00 114.88 1y8b n LEU 178 Ca -0.09 -5.09 -0.41 0.00 -0.03 0.00 0.00 56.01 50.40 1y8b n LEU 178 Cb 0.22 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1y8b n LEU 178 CO 0.32 1.89 1.23 -2.16 -1.33 0.00 0.00 177.39 177.34 1y8b s PRO 179 N -1.46 3.11 0.22 3.23 0.04 0.73 -4.26 135.00 136.61 1y8b s PRO 179 Ca 0.31 -0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.92 1y8b s PRO 179 Cb 0.04 -4.21 -0.15 0.00 0.04 0.00 0.00 34.50 30.22 1y8b s PRO 179 CO -0.13 -2.23 0.99 1.28 0.04 0.00 0.00 177.00 176.95 1y8b n LEU 180 N 9.85 1.10 -0.15 -3.56 4.77 -1.25 -4.54 117.00 123.22 1y8b n LEU 180 Ca 0.06 1.16 0.05 0.00 -0.03 0.00 0.00 56.01 57.24 1y8b n LEU 180 Cb 0.49 -1.19 0.10 0.00 -2.33 0.00 0.00 43.42 40.50 1y8b n LEU 180 CO 0.71 -1.65 0.32 1.21 -1.33 0.00 0.00 177.39 176.65 1y8b n GLU 181 N 1.21 -0.04 -3.52 3.23 2.13 0.76 -4.44 120.64 119.98 1y8b n GLU 181 Ca 0.14 0.65 -0.18 0.00 0.66 0.00 0.00 57.16 58.43 1y8b n GLU 181 Cb 0.27 -1.02 -0.06 0.00 0.27 0.00 0.00 31.44 30.90 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 -5.04 -0.65 0.00 4.31 2.47 -1.26 -5.06 114.94 109.71 1y8b s ASN 182 Ca -0.06 0.68 0.00 0.00 0.42 0.00 0.00 52.86 53.91 1y8b s ASN 182 Cb 0.12 0.54 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1y8b s ASN 182 CO 0.34 -0.62 0.00 0.61 -3.72 0.00 0.00 177.10 173.70 1y8b n GLY 183 N 0.85 0.50 3.11 1.21 0.00 -1.26 -4.91 105.19 104.68 1y8b n GLY 183 Ca -0.19 -2.29 -0.09 0.00 0.00 0.00 0.00 46.02 43.45 1y8b n GLY 183 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y8b s SER 184 N -4.00 0.74 0.38 1.61 0.15 -1.26 -4.96 113.70 106.37 1y8b s SER 184 Ca 0.00 -0.91 0.20 0.00 0.70 0.00 0.00 55.95 55.94 1y8b s SER 184 Cb 0.00 0.13 0.69 0.00 -1.71 0.00 0.00 66.02 65.13 1y8b s SER 184 CO 0.00 -0.48 1.73 0.22 1.20 0.00 0.00 173.24 175.91 1y8b h TYR 185 N 3.36 0.00 0.00 3.44 3.20 -1.97 -2.73 116.97 122.27 1y8b h TYR 185 Ca -0.34 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.51 1y8b h TYR 185 Cb 1.16 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.43 1y8b h TYR 185 CO 0.58 0.35 -0.06 1.96 -1.64 0.00 0.00 178.16 179.35 1y8b h GLN 186 N 0.00 0.00 0.00 1.82 1.08 -1.96 -2.69 115.11 113.36 1y8b h GLN 186 Ca -0.00 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.04 1y8b h GLN 186 Cb 0.90 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.30 1y8b h GLN 186 CO 0.05 0.06 -1.38 -0.25 -0.95 0.00 0.00 178.83 176.36 1y8b n ASP 187 N -3.19 0.87 -4.36 1.46 8.00 -1.04 -4.59 116.55 113.70 1y8b n ASP 187 Ca 0.00 0.38 -0.32 0.00 0.71 0.00 0.00 54.79 55.56 1y8b n ASP 187 Cb 0.33 0.17 0.17 0.00 -0.02 0.00 0.00 41.12 41.77 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 -2.88 0.00 0.00 2.53 0.31 -1.01 0.27 118.33 117.55 1y8b n VAL 188 Ca -0.09 -0.27 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1y8b n VAL 188 Cb 0.82 -0.67 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -4.21 0.00 -3.67 2.52 0.24 -0.94 -3.88 118.33 108.39 1y8b n VAL 189 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.32 1y8b n VAL 189 Cb 0.58 -0.14 -0.01 0.00 -1.47 0.00 0.00 33.84 32.80 1y8b n VAL 189 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y8b s ALA 190 N -1.36 -1.94 0.40 2.33 0.00 -1.26 -4.44 121.76 115.48 1y8b s ALA 190 Ca 0.00 0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.54 1y8b s ALA 190 Cb 0.00 0.45 -0.06 0.00 0.00 0.00 0.00 23.12 23.51 1y8b s ALA 190 CO 0.00 -0.99 0.04 -0.06 0.00 0.00 0.00 175.76 174.74 1y8b s PHE 191 N -2.85 2.18 0.21 0.00 0.08 -1.26 -3.54 117.98 112.80 1y8b s PHE 191 Ca 0.12 -0.86 -0.13 0.00 0.12 0.00 0.00 56.93 56.18 1y8b s PHE 191 Cb 0.01 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.93 1y8b s PHE 191 CO -0.02 0.21 0.45 0.15 -0.10 0.00 0.00 175.22 175.91 1y8b s LYS 192 N -3.80 1.40 -0.44 0.44 1.02 -1.26 -4.80 119.74 112.31 1y8b s LYS 192 Ca 0.30 -1.10 -0.12 0.00 0.02 0.00 0.00 55.97 55.07 1y8b s LYS 192 Cb 0.08 0.47 0.08 0.00 -0.52 0.00 0.00 37.83 37.93 1y8b s LYS 192 CO 0.15 -0.57 0.32 0.08 -0.92 0.00 0.00 175.35 174.40 1y8b s VAL 193 N -3.96 4.67 0.11 3.17 1.01 -0.39 -2.92 120.40 122.09 1y8b s VAL 193 Ca 0.17 -1.27 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1y8b s VAL 193 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1y8b s VAL 193 CO 0.03 -0.55 -0.01 -0.69 0.00 0.00 0.00 175.10 173.88 1y8b s VAL 194 N 1.52 3.88 -0.47 2.92 1.01 -0.58 -4.55 120.40 124.13 1y8b s VAL 194 Ca 0.03 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1y8b s VAL 194 Cb -0.24 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1y8b s VAL 194 CO 0.04 0.07 0.39 0.47 0.00 0.00 0.00 175.10 176.08 1y8b n ASP 195 N 0.44 0.00 0.01 3.32 8.00 -1.26 -1.50 116.55 125.55 1y8b n ASP 195 Ca -0.11 0.07 -0.02 0.00 0.71 0.00 0.00 54.79 55.44 1y8b n ASP 195 Cb 0.53 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.54 1y8b n ASP 195 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1y8b n LYS 196 N -0.89 0.13 0.00 -1.24 3.00 -1.26 -5.15 118.16 112.75 1y8b n LYS 196 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1y8b n LYS 196 Cb 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 35.03 34.52 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 -3.59 0.00 -2.25 1.64 7.27 -0.56 -5.11 117.38 114.78 1y8b n GLN 197 Ca -0.03 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.61 1y8b n GLN 197 Cb 0.13 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.75 1y8b n GLN 197 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1y8b s LEU 198 N 0.00 4.22 -1.04 1.69 1.02 -1.24 -1.53 118.68 121.79 1y8b s LEU 198 Ca 0.00 1.89 -0.15 0.00 0.02 0.00 0.00 54.13 55.89 1y8b s LEU 198 Cb 0.00 -3.54 0.17 0.00 0.02 0.00 0.00 46.19 42.85 1y8b s LEU 198 CO 0.00 -0.84 1.20 -0.13 0.02 0.00 0.00 176.35 176.60 1y8b s ARG 199 N 3.75 3.85 0.06 1.70 1.81 -1.15 -4.54 118.95 124.43 1y8b s ARG 199 Ca 0.62 -2.30 -0.27 0.00 -1.72 0.00 0.00 55.73 52.06 1y8b s ARG 199 Cb -0.26 -4.88 -0.05 0.00 -0.45 0.00 0.00 34.95 29.31 1y8b s ARG 199 CO 0.21 -1.66 0.86 0.42 -0.68 0.00 0.00 175.30 174.44 1y8b s ILE 200 N 1.58 4.69 -0.09 1.52 1.09 -1.26 -4.06 121.20 124.66 1y8b s ILE 200 Ca 0.35 1.82 -0.01 0.00 -1.10 0.00 0.00 60.65 61.71 1y8b s ILE 200 Cb -0.05 -4.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.11 1y8b s ILE 200 CO -0.06 0.32 -0.02 -1.10 -0.10 0.00 0.00 174.94 173.98 1y8b s GLN 201 N 0.15 3.00 0.31 2.79 -0.21 -1.23 -3.00 119.66 121.46 1y8b s GLN 201 Ca 0.43 -0.46 0.04 0.00 0.02 0.00 0.00 55.36 55.39 1y8b s GLN 201 Cb -0.21 -2.75 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 1y8b s GLN 201 CO 0.26 0.64 0.46 -0.51 -2.12 0.00 0.00 175.29 174.01 1y8b s LEU 202 N -0.71 4.11 0.00 2.90 1.43 -1.04 -2.23 118.68 123.14 1y8b s LEU 202 Ca 0.11 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1y8b s LEU 202 Cb -0.12 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.14 1y8b s LEU 202 CO 0.02 -0.26 0.61 1.17 0.23 0.00 0.00 176.35 178.11 1y8b n LYS 203 N -1.61 0.00 -0.21 1.70 0.00 0.77 -0.20 118.16 118.61 1y8b n LYS 203 Ca -0.05 0.15 0.11 0.00 0.00 0.00 0.00 58.31 58.52 1y8b n LYS 203 Cb 0.57 -1.52 0.22 0.00 0.00 0.00 0.00 35.03 34.31 1y8b n LYS 203 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1y8b n ASN 204 N -1.11 3.50 -2.16 3.14 5.15 -1.26 -4.94 115.26 117.58 1y8b n ASN 204 Ca 0.00 -1.98 -0.14 0.00 -0.60 0.00 0.00 54.58 51.86 1y8b n ASN 204 Cb 0.02 -0.28 0.04 0.00 -0.53 0.00 0.00 39.78 39.03 1y8b n ASN 204 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y8b n GLY 205 N 1.47 0.06 3.44 8.20 0.00 0.72 -5.02 105.19 114.05 1y8b n GLY 205 Ca 0.20 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.77 1y8b n GLY 205 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8b s LYS 206 N -5.60 1.58 -0.14 1.61 1.02 -1.25 -4.94 119.74 112.01 1y8b s LYS 206 Ca 0.29 -1.49 -0.07 0.00 0.02 0.00 0.00 55.97 54.73 1y8b s LYS 206 Cb -0.13 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.26 1y8b s LYS 206 CO 0.36 0.41 0.08 -2.00 -0.92 0.00 0.00 175.35 173.28 1y8b s GLU 207 N -2.66 3.63 0.34 1.68 2.56 -1.26 -2.49 118.70 120.50 1y8b s GLU 207 Ca 0.21 -0.27 0.03 0.00 0.00 0.00 0.00 54.97 54.94 1y8b s GLU 207 Cb -0.08 -3.15 -0.04 0.00 2.00 0.00 0.00 34.13 32.86 1y8b s GLU 207 CO 0.10 0.53 0.11 0.99 -0.56 0.00 0.00 175.26 176.44 1y8b s THR 208 N -0.34 0.67 0.29 -1.70 2.01 -1.16 -5.04 115.64 110.37 1y8b s THR 208 Ca 0.10 -2.00 0.10 0.00 0.31 0.00 0.00 61.69 60.20 1y8b s THR 208 Cb -0.12 -2.55 -0.05 0.00 0.01 0.00 0.00 72.50 69.79 1y8b s THR 208 CO 0.01 0.00 -0.06 0.42 -0.69 0.00 0.00 174.62 174.30 1y8b s THR 209 N -3.42 2.89 0.00 -0.82 -4.23 -1.26 -4.16 115.64 104.64 1y8b s THR 209 Ca 0.32 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 1y8b s THR 209 Cb 0.06 -2.65 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1y8b s THR 209 CO 0.15 -0.33 0.00 -0.11 -0.54 0.00 0.00 174.62 173.79 1y8b n LEU 210 N -0.82 0.00 0.00 4.79 -0.00 -1.26 -1.23 117.00 118.48 1y8b n LEU 210 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1y8b n LEU 210 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.02 1y8b n LEU 210 CO 0.40 0.00 0.00 -1.14 -0.00 0.00 0.00 177.39 176.65 1y8b n ARG 211 N 0.00 0.00 -3.88 1.96 0.00 -1.26 0.27 116.66 113.75 1y8b n ARG 211 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.57 1y8b n ARG 211 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.34 1y8b n ARG 211 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1y8b s THR 212 N 0.00 2.72 0.52 5.15 -1.32 -1.26 -4.95 115.64 116.49 1y8b s THR 212 Ca 0.00 -4.06 0.39 0.00 -1.21 0.00 0.00 61.69 56.81 1y8b s THR 212 Cb 0.00 -2.80 0.60 0.00 -1.51 0.00 0.00 72.50 68.79 1y8b s THR 212 CO 0.00 -0.99 1.68 -0.65 -2.21 0.00 0.00 174.62 172.45 1y8b h PRO 213 N 5.57 0.05 0.00 7.08 0.11 -1.96 0.29 132.00 143.13 1y8b h PRO 213 Ca 0.12 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1y8b h PRO 213 Cb 0.78 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1y8b h PRO 213 CO 0.69 0.03 0.04 0.00 -0.21 0.00 0.00 178.00 178.55 1y8b n ALA 214 N -2.75 1.06 -0.12 -0.75 0.00 -1.26 -0.86 120.51 115.83 1y8b n ALA 214 Ca 0.35 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.62 1y8b n ALA 214 Cb 1.53 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 20.05 1y8b n ALA 214 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y8b n GLN 215 N -1.08 0.66 -0.86 0.00 6.02 0.10 -4.83 117.38 117.39 1y8b n GLN 215 Ca 0.00 0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.81 1y8b n GLN 215 Cb 0.04 -1.53 0.24 0.00 1.02 0.00 0.00 30.24 30.01 1y8b n GLN 215 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 1y8b s PHE 216 N -2.51 0.84 0.00 1.08 -0.12 -0.04 0.31 117.98 117.53 1y8b s PHE 216 Ca -0.29 0.75 0.00 0.00 -0.05 0.00 0.00 56.93 57.34 1y8b s PHE 216 Cb 0.08 -3.23 0.00 0.00 -0.63 0.00 0.00 43.02 39.25 1y8b s PHE 216 CO 0.66 -3.88 0.00 0.28 -0.05 0.00 0.00 175.22 172.23 1y8b n VAL 217 N -4.84 0.00 -3.23 -2.49 0.31 -0.57 -4.57 118.33 102.94 1y8b n VAL 217 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1y8b n VAL 217 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 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 0.17 1.09 3.83 2.92 0.00 -1.23 -2.36 105.19 109.61 1y8b n GLY 218 Ca 0.00 -0.75 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 1y8b n GLY 218 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1y8b s TYR 219 N -3.17 0.11 -0.08 1.61 5.04 -0.81 -1.26 117.35 118.80 1y8b s TYR 219 Ca 0.00 -0.72 -0.00 0.00 -2.44 0.00 0.00 57.07 53.90 1y8b s TYR 219 Cb 0.00 0.81 0.02 0.00 0.35 0.00 0.00 41.96 43.14 1y8b s TYR 219 CO 0.00 -1.41 -0.05 -0.98 -1.34 0.00 0.00 175.55 171.77 1y8b s ARG 220 N -2.24 1.06 0.00 4.97 1.70 -1.26 0.31 118.95 123.49 1y8b s ARG 220 Ca 0.17 -0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.32 1y8b s ARG 220 Cb -0.04 -1.18 0.00 0.00 -0.57 0.00 0.00 34.95 33.15 1y8b s ARG 220 CO 0.10 -0.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.52 1y8b n GLY 221 N 4.69 0.46 3.56 3.88 0.00 -1.26 -4.72 105.19 111.81 1y8b n GLY 221 Ca -0.14 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 6.37 0.64 1.61 1.11 -1.26 -4.90 116.67 116.24 1y8b s ASP 222 Ca 0.00 0.05 0.37 0.00 0.18 0.00 0.00 52.55 53.15 1y8b s ASP 222 Cb 0.00 -2.30 2.03 0.00 1.07 0.00 0.00 42.92 43.72 1y8b s ASP 222 CO 0.00 -0.55 2.14 0.00 1.18 0.00 0.00 175.17 177.94 1y8b h ALA 223 N 8.48 1.13 -0.01 5.23 0.00 -1.96 0.58 119.26 132.71 1y8b h ALA 223 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1y8b h ALA 223 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1y8b h ALA 223 CO 0.81 -0.13 -0.28 0.00 0.00 0.00 0.00 179.25 179.65 1y8b n ALA 224 N -1.98 3.13 -2.80 0.00 0.00 -1.26 -1.26 120.51 116.35 1y8b n ALA 224 Ca -0.02 -0.38 -0.10 0.00 0.00 0.00 0.00 53.44 52.93 1y8b n ALA 224 Cb 0.19 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.81 0.05 -1.75 0.00 0.00 0.19 -4.95 120.51 113.23 1y8b n ALA 225 Ca 0.11 -1.79 -0.36 0.00 0.00 0.00 0.00 53.44 51.40 1y8b n ALA 225 Cb 0.34 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.73 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 3.02 -0.19 0.00 0.04 -0.35 -4.37 135.00 132.88 1y8b s PRO 226 Ca 0.25 1.86 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 1y8b s PRO 226 Cb 0.32 -1.97 -0.21 0.00 0.04 0.00 0.00 34.50 32.68 1y8b s PRO 226 CO -0.06 -1.18 0.35 1.15 0.04 0.00 0.00 177.00 177.30 1y8b h THR 227 N 0.97 1.12 -4.31 1.26 2.02 -1.87 -3.49 112.91 108.61 1y8b h THR 227 Ca -0.50 -2.20 -0.24 0.00 0.77 0.00 0.00 66.41 64.23 1y8b h THR 227 Cb 1.30 2.48 -0.15 0.00 -1.74 0.00 0.00 68.15 70.04 1y8b h THR 227 CO 0.55 0.38 -0.64 0.00 0.37 0.00 0.00 175.52 176.19 1y8b s ILE 229 N -3.99 0.12 0.10 0.00 1.09 -1.26 -4.67 121.20 112.58 1y8b s ILE 229 Ca 0.31 0.18 -0.30 0.00 -1.10 0.00 0.00 60.65 59.74 1y8b s ILE 229 Cb 0.07 -0.27 -0.06 0.00 -1.06 0.00 0.00 42.46 41.15 1y8b s ILE 229 CO 0.07 0.17 1.14 -0.22 -0.10 0.00 0.00 174.94 176.00 1y8b s LEU 230 N 1.44 4.41 0.08 2.97 2.96 -0.39 -3.84 118.68 126.32 1y8b s LEU 230 Ca -0.04 2.01 0.05 0.00 -0.22 0.00 0.00 54.13 55.93 1y8b s LEU 230 Cb -0.13 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1y8b s LEU 230 CO -0.03 -0.36 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.75 1y8b s LEU 231 N 0.53 2.32 -0.03 -0.68 1.43 -0.11 -1.51 118.68 120.63 1y8b s LEU 231 Ca 0.55 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1y8b s LEU 231 Cb -0.29 -0.48 -0.00 0.00 0.03 0.00 0.00 46.19 45.46 1y8b s LEU 231 CO 0.31 -0.12 -0.12 -0.75 0.23 0.00 0.00 176.35 175.90 1y8b s LYS 232 N -2.05 1.18 -0.19 1.70 2.20 0.90 0.17 119.74 123.64 1y8b s LYS 232 Ca 0.01 -0.41 -0.09 0.00 -0.36 0.00 0.00 55.97 55.12 1y8b s LYS 232 Cb -0.08 -1.08 0.07 0.00 -1.51 0.00 0.00 37.83 35.23 1y8b s LYS 232 CO 0.02 0.18 0.45 0.54 -0.36 0.00 0.00 175.35 176.18 1y8b s ASN 233 N 0.07 -0.50 -1.38 1.43 6.03 -0.02 -4.19 114.94 116.37 1y8b s ASN 233 Ca -0.02 1.01 -0.06 0.00 -1.03 0.00 0.00 52.86 52.76 1y8b s ASN 233 Cb -0.09 1.07 0.01 0.00 -3.03 0.00 0.00 41.25 39.21 1y8b s ASN 233 CO 0.01 -0.21 0.85 0.59 -2.03 0.00 0.00 177.10 176.30 1y8b n ASN 234 N 4.66 -6.02 0.00 3.54 4.13 -1.26 -1.40 115.26 118.91 1y8b n ASN 234 Ca -0.18 -0.39 0.00 0.00 1.68 0.00 0.00 54.58 55.69 1y8b n ASN 234 Cb 0.54 -4.75 0.00 0.00 -1.54 0.00 0.00 39.78 34.03 1y8b n ASN 234 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1y8b n GLY 235 N -1.71 1.99 3.76 7.41 0.00 -1.26 -4.62 105.19 110.77 1y8b n GLY 235 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 4.46 0.09 0.99 1.43 -0.49 -4.60 118.68 120.55 1y8b s LEU 236 Ca 0.00 1.32 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 1y8b s LEU 236 Cb 0.00 -3.06 -0.06 0.00 0.03 0.00 0.00 46.19 43.09 1y8b s LEU 236 CO 0.00 0.11 0.50 -1.00 0.23 0.00 0.00 176.35 176.19 1y8b s HIS 237 N -0.37 3.67 -0.04 0.29 3.76 -1.26 -0.84 115.29 120.50 1y8b s HIS 237 Ca 0.34 1.05 -0.00 0.00 -0.15 0.00 0.00 55.06 56.29 1y8b s HIS 237 Cb -0.20 -2.35 0.03 0.00 1.11 0.00 0.00 32.58 31.18 1y8b s HIS 237 CO 0.20 0.52 0.01 -1.50 -0.85 0.00 0.00 174.74 173.13 1y8b s ILE 238 N -1.30 0.16 -0.05 0.60 2.07 0.13 -2.29 121.20 120.52 1y8b s ILE 238 Ca 0.32 0.15 0.05 0.00 -1.41 0.00 0.00 60.65 59.76 1y8b s ILE 238 Cb -0.16 -0.30 -0.00 0.00 0.13 0.00 0.00 42.46 42.12 1y8b s ILE 238 CO 0.18 0.17 -0.19 -1.83 -1.91 0.00 0.00 174.94 171.36 1y8b s GLU 239 N 1.41 2.03 -0.10 3.50 -1.05 -0.91 -0.93 118.70 122.64 1y8b s GLU 239 Ca -0.04 -0.69 -0.13 0.00 -0.15 0.00 0.00 54.97 53.95 1y8b s GLU 239 Cb -0.13 -1.73 -0.05 0.00 -0.44 0.00 0.00 34.13 31.78 1y8b s GLU 239 CO -0.03 0.27 0.32 -0.51 0.95 0.00 0.00 175.26 176.27 1y8b s LEU 240 N 0.01 4.34 -0.88 1.83 1.02 -1.25 -2.19 118.68 121.55 1y8b s LEU 240 Ca -0.04 0.66 -0.14 0.00 0.02 0.00 0.00 54.13 54.62 1y8b s LEU 240 Cb -0.12 -2.42 0.22 0.00 0.02 0.00 0.00 46.19 43.89 1y8b s LEU 240 CO 0.03 0.20 0.85 -1.58 0.02 0.00 0.00 176.35 175.88 1y8b s GLN 241 N -0.19 3.68 -0.12 1.70 2.00 -1.19 -4.04 119.66 121.50 1y8b s GLN 241 Ca 0.19 -2.48 -0.30 0.00 -2.00 0.00 0.00 55.36 50.77 1y8b s GLN 241 Cb -0.14 -4.50 -0.02 0.00 0.80 0.00 0.00 33.01 29.14 1y8b s GLN 241 CO 0.07 -1.34 1.28 0.42 -0.50 0.00 0.00 175.29 175.21 1y8b s ILE 242 N 0.28 4.20 0.19 -2.34 -1.09 -1.23 -3.46 121.20 117.74 1y8b s ILE 242 Ca 0.21 1.48 -0.14 0.00 -2.23 0.00 0.00 60.65 59.97 1y8b s ILE 242 Cb -0.09 -3.95 -0.07 0.00 -1.58 0.00 0.00 42.46 36.76 1y8b s ILE 242 CO -0.09 -0.08 0.59 -1.81 -1.23 0.00 0.00 174.94 172.32 1y8b s ASP 243 N 1.90 6.82 -0.07 3.58 1.11 -1.26 -4.86 116.67 123.88 1y8b s ASP 243 Ca 0.57 1.11 -0.03 0.00 0.18 0.00 0.00 52.55 54.38 1y8b s ASP 243 Cb -0.24 -2.30 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 1y8b s ASP 243 CO 0.18 0.03 -0.06 0.00 1.18 0.00 0.00 175.17 176.51 1y8b h ALA 244 N 3.23 0.00 -0.04 5.23 0.00 -1.94 -3.36 119.26 122.39 1y8b h ALA 244 Ca -0.48 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1y8b h ALA 244 Cb 1.19 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1y8b h ALA 244 CO 0.66 0.17 0.03 -1.71 0.00 0.00 0.00 179.25 178.40 1y8b n ASN 245 N -3.64 5.13 -4.42 0.00 5.15 -1.26 -4.90 115.26 111.32 1y8b n ASN 245 Ca -0.02 -2.41 -0.51 0.00 -0.60 0.00 0.00 54.58 51.04 1y8b n ASN 245 Cb 0.09 -1.05 -0.08 0.00 -0.53 0.00 0.00 39.78 38.21 1y8b n ASN 245 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y8b n GLY 246 N 1.29 0.29 0.16 8.20 0.00 -1.26 -4.77 105.19 109.10 1y8b n GLY 246 Ca 0.02 0.97 -0.04 0.00 0.00 0.00 0.00 46.02 46.97 1y8b n GLY 246 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1y8b h ARG 247 N 12.19 0.18 0.14 1.61 9.65 -1.97 -3.26 114.38 132.92 1y8b h ARG 247 Ca -0.22 -0.13 -0.28 0.00 -1.10 0.00 0.00 59.98 58.25 1y8b h ARG 247 Cb 1.33 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 1y8b h ARG 247 CO 1.07 0.74 -1.41 -0.84 2.80 0.00 0.00 179.97 182.33 1y8b h ILE 248 N 0.13 1.09 0.00 1.20 -0.00 -2.00 -3.27 117.51 114.66 1y8b h ILE 248 Ca -0.01 -2.46 0.00 0.00 -0.00 0.00 0.00 64.86 62.40 1y8b h ILE 248 Cb 1.13 2.81 0.00 0.00 -0.00 0.00 0.00 36.82 40.75 1y8b h ILE 248 CO 0.09 0.74 0.30 0.61 -0.00 0.00 0.00 178.15 179.89 1y8b n GLY 249 N 1.76 -0.43 0.00 0.16 0.00 -1.23 -0.92 105.19 104.52 1y8b n GLY 249 Ca -0.23 0.06 0.02 0.00 0.00 0.00 0.00 46.02 45.86 1y8b n GLY 249 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y8b n LYS 250 N -1.67 0.10 0.00 1.61 3.00 -1.23 -1.73 118.16 118.23 1y8b n LYS 250 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1y8b n LYS 250 Cb 0.31 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.84 1y8b n LYS 250 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1y8b n ASP 251 N -1.05 0.00 -4.68 3.14 9.92 -0.10 -5.08 116.55 118.70 1y8b n ASP 251 Ca 0.02 -1.00 -0.32 0.00 -0.53 0.00 0.00 54.79 52.96 1y8b n ASP 251 Cb 0.01 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.41 1y8b n ASP 251 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1y8b s ASP 252 N 0.00 5.08 -0.00 -2.24 1.11 -0.71 -5.04 116.67 114.87 1y8b s ASP 252 Ca 0.00 -0.05 -0.22 0.00 0.18 0.00 0.00 52.55 52.45 1y8b s ASP 252 Cb 0.00 -1.29 -0.19 0.00 1.07 0.00 0.00 42.92 42.50 1y8b s ASP 252 CO 0.00 0.26 1.19 1.55 1.18 0.00 0.00 175.17 179.35 1y8b h PRO 253 N 4.14 0.26 0.00 8.23 0.13 -1.86 -3.17 132.00 139.73 1y8b h PRO 253 Ca -0.49 -0.19 -0.00 0.00 -0.87 0.00 0.00 66.00 64.45 1y8b h PRO 253 Cb 1.17 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1y8b h PRO 253 CO 0.58 0.82 -0.01 0.00 -0.23 0.00 0.00 178.00 179.16 1y8b h ALA 254 N 0.44 1.94 0.00 -0.56 0.00 -1.81 -3.39 119.26 115.88 1y8b h ALA 254 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y8b h ALA 254 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1y8b h ALA 254 CO 0.05 0.01 0.00 1.58 0.00 0.00 0.00 179.25 180.89 1y8b n HIS 255 N -4.46 0.00 -2.24 0.00 -0.00 -1.20 -4.50 115.22 102.82 1y8b n HIS 255 Ca -0.03 0.00 -0.33 0.00 0.46 0.00 0.00 57.72 57.82 1y8b n HIS 255 Cb 0.10 -1.13 -0.01 0.00 -0.12 0.00 0.00 29.99 28.83 1y8b n HIS 255 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1y8b s ILE 256 N -1.13 4.02 0.00 3.57 -4.36 -1.26 -4.59 121.20 117.45 1y8b s ILE 256 Ca 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 60.65 61.40 1y8b s ILE 256 Cb 0.00 -3.49 0.00 0.00 1.25 0.00 0.00 42.46 40.22 1y8b s ILE 256 CO 0.00 -0.51 0.03 -3.20 0.24 0.00 0.00 174.94 171.50 1y8b n ASN 257 N -1.71 0.00 -4.14 4.36 2.85 -1.22 -4.88 115.26 110.51 1y8b n ASN 257 Ca 0.08 0.03 -0.09 0.00 -0.11 0.00 0.00 54.58 54.49 1y8b n ASN 257 Cb 0.53 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.45 1y8b n ASN 257 CO 0.00 0.00 0.00 1.51 -2.11 0.00 0.00 177.26 176.66 1y8b s ASP 258 N -1.13 0.76 -0.08 1.20 1.47 -1.26 -5.00 116.67 112.63 1y8b s ASP 258 Ca 0.00 -1.06 -0.12 0.00 1.18 0.00 0.00 52.55 52.55 1y8b s ASP 258 Cb 0.00 0.17 -0.05 0.00 -0.34 0.00 0.00 42.92 42.70 1y8b s ASP 258 CO 0.00 -0.57 0.29 -0.69 0.68 0.00 0.00 175.17 174.88 1y8b s VAL 259 N -3.81 5.25 -0.11 2.11 1.01 -1.26 -3.15 120.40 120.44 1y8b s VAL 259 Ca 0.14 0.56 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 1y8b s VAL 259 Cb 0.07 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 1y8b s VAL 259 CO -0.05 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 174.87 1y8b s ILE 260 N -0.64 3.44 -0.00 2.22 -1.09 -0.93 0.57 121.20 124.77 1y8b s ILE 260 Ca 0.19 -0.54 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 1y8b s ILE 260 Cb -0.14 -2.44 -0.01 0.00 -1.58 0.00 0.00 42.46 38.29 1y8b s ILE 260 CO 0.08 0.54 -0.11 0.68 -1.23 0.00 0.00 174.94 174.90 1y8b s VAL 261 N -0.07 0.89 -0.50 2.92 -7.23 -0.68 -2.14 120.40 113.59 1y8b s VAL 261 Ca -0.01 -0.54 -0.27 0.00 -1.81 0.00 0.00 61.98 59.35 1y8b s VAL 261 Cb -0.14 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 36.01 1y8b s VAL 261 CO 0.03 0.20 2.06 -1.61 -0.31 0.00 0.00 175.10 175.48 1y8b s GLU 262 N -0.39 2.59 0.01 4.82 0.41 -0.97 -3.49 118.70 121.68 1y8b s GLU 262 Ca 0.04 1.10 -0.25 0.00 -0.41 0.00 0.00 54.97 55.44 1y8b s GLU 262 Cb -0.05 -4.42 -0.16 0.00 -1.78 0.00 0.00 34.13 27.72 1y8b s GLU 262 CO -0.00 -2.74 1.17 0.00 -0.49 0.00 0.00 175.26 173.19 1y8b h ALA 263 N 16.22 -0.59 -3.53 5.21 0.00 -1.70 -3.41 119.26 131.47 1y8b h ALA 263 Ca -0.27 -0.19 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 1y8b h ALA 263 Cb 1.20 0.23 -0.35 0.00 0.00 0.00 0.00 17.79 18.87 1y8b h ALA 263 CO 1.15 -0.66 -0.69 0.00 0.00 0.00 0.00 179.25 179.05 1y8b s ALA 264 N -4.83 2.86 -0.33 0.00 0.00 -1.26 -4.55 121.76 113.65 1y8b s ALA 264 Ca -0.14 -2.07 0.22 0.00 0.00 0.00 0.00 51.96 49.96 1y8b s ALA 264 Cb 0.02 -1.98 0.19 0.00 0.00 0.00 0.00 23.12 21.34 1y8b s ALA 264 CO 0.49 -1.45 1.39 -0.84 0.00 0.00 0.00 175.76 175.35 1y8b h ILE 265 N 6.53 0.11 -3.37 0.00 -2.65 -1.79 -3.39 117.51 112.94 1y8b h ILE 265 Ca -0.16 -1.17 -0.29 0.00 1.03 0.00 0.00 64.86 64.27 1y8b h ILE 265 Cb 1.05 1.90 -0.34 0.00 -2.05 0.00 0.00 36.82 37.37 1y8b h ILE 265 CO 0.55 0.06 -0.68 -0.44 0.03 0.00 0.00 178.15 177.67 1y8b s SER 266 N -5.96 0.23 0.15 2.16 0.01 -1.26 -0.53 113.70 108.50 1y8b s SER 266 Ca 0.04 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.51 1y8b s SER 266 Cb 0.07 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1y8b s SER 266 CO 0.72 -0.16 -0.12 0.42 0.41 0.00 0.00 173.24 174.50 1y8b s THR 267 N 1.38 1.33 -0.03 1.44 -4.23 0.42 -2.66 115.64 113.28 1y8b s THR 267 Ca -0.06 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.55 1y8b s THR 267 Cb -0.12 -1.76 -0.01 0.00 1.34 0.00 0.00 72.50 71.94 1y8b s THR 267 CO -0.04 -0.60 -0.23 -0.51 -0.54 0.00 0.00 174.62 172.70 1y8b s ILE 268 N -2.82 1.84 0.09 2.99 -1.16 -1.21 0.28 121.20 121.21 1y8b s ILE 268 Ca 0.15 -0.98 0.05 0.00 -0.51 0.00 0.00 60.65 59.36 1y8b s ILE 268 Cb -0.01 -1.54 -0.04 0.00 0.61 0.00 0.00 42.46 41.48 1y8b s ILE 268 CO 0.03 0.52 -0.01 -0.76 -2.81 0.00 0.00 174.94 171.90 1y8b s LEU 269 N -0.35 3.41 0.00 8.50 1.43 -0.38 -2.55 118.68 128.74 1y8b s LEU 269 Ca 0.03 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1y8b s LEU 269 Cb -0.11 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1y8b s LEU 269 CO 0.01 0.18 0.00 -0.67 0.23 0.00 0.00 176.35 176.10 1y8b n ASP 270 N 0.61 -0.31 -0.33 2.29 2.03 0.02 -2.96 116.55 117.89 1y8b n ASP 270 Ca -0.11 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.19 1y8b n ASP 270 Cb 0.52 -0.16 -0.01 0.00 -0.72 0.00 0.00 41.12 40.76 1y8b n ASP 270 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1y8b n GLU 272 N 0.00 -5.19 0.06 0.00 4.71 -1.26 -4.81 120.64 114.14 1y8b n GLU 272 Ca -0.03 0.56 0.13 0.00 -0.01 0.00 0.00 57.16 57.82 1y8b n GLU 272 Cb 0.27 -5.44 0.49 0.00 -1.01 0.00 0.00 31.44 25.76 1y8b n GLU 272 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1y8b n ASP 273 N -2.81 0.43 0.12 1.62 -0.08 -1.26 -4.71 116.55 109.86 1y8b n ASP 273 Ca 0.05 0.55 0.00 0.00 -1.51 0.00 0.00 54.79 53.88 1y8b n ASP 273 Cb 0.52 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1y8b n ASP 273 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1y8b n SER 274 N -1.91 -1.64 -4.58 1.67 2.88 -1.26 -4.77 113.62 104.01 1y8b n SER 274 Ca 0.06 0.43 -0.41 0.00 -1.33 0.00 0.00 58.87 57.62 1y8b n SER 274 Cb 0.37 1.71 -0.06 0.00 -0.75 0.00 0.00 64.21 65.47 1y8b n SER 274 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1y8b s VAL 275 N -1.53 4.90 -0.40 2.46 -7.23 -1.26 -4.96 120.40 112.37 1y8b s VAL 275 Ca 0.00 0.72 -0.02 0.00 -1.81 0.00 0.00 61.98 60.88 1y8b s VAL 275 Cb 0.00 -4.05 0.11 0.00 0.56 0.00 0.00 36.38 33.00 1y8b s VAL 275 CO 0.00 -0.24 0.18 0.00 -0.31 0.00 0.00 175.10 174.73 1y8b s ALA 276 N 2.69 3.12 0.20 1.32 0.00 -1.26 -4.46 121.76 123.35 1y8b s ALA 276 Ca 0.25 -2.55 -0.12 0.00 0.00 0.00 0.00 51.96 49.54 1y8b s ALA 276 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 23.12 20.63 1y8b s ALA 276 CO 0.14 -1.79 0.40 0.00 0.00 0.00 0.00 175.76 174.51 1y8b s ALA 277 N 1.09 -0.32 -0.30 0.00 0.00 -1.26 -4.65 121.76 116.32 1y8b s ALA 277 Ca 0.09 -0.70 0.06 0.00 0.00 0.00 0.00 51.96 51.40 1y8b s ALA 277 Cb -0.22 0.92 0.20 0.00 0.00 0.00 0.00 23.12 24.01 1y8b s ALA 277 CO -0.05 -0.75 0.61 0.14 0.00 0.00 0.00 175.76 175.71 1y8b s VAL 278 N -3.96 -0.98 0.18 0.00 -7.23 -1.26 -4.96 120.40 102.20 1y8b s VAL 278 Ca 0.16 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.19 1y8b s VAL 278 Cb 0.01 -0.87 0.01 0.00 0.56 0.00 0.00 36.38 36.10 1y8b s VAL 278 CO 0.02 0.00 0.43 -0.62 -0.31 0.00 0.00 175.10 174.62 1y8b s ASP 279 N 2.72 -0.14 0.15 4.85 2.15 -1.26 -4.92 116.67 120.21 1y8b s ASP 279 Ca 0.11 -0.64 -0.15 0.00 0.43 0.00 0.00 52.55 52.30 1y8b s ASP 279 Cb -0.09 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1y8b s ASP 279 CO -0.24 -1.00 1.73 0.00 -0.17 0.00 0.00 175.17 175.50 1y8b h ALA 280 N 2.33 0.58 0.10 3.66 0.00 -1.90 -3.09 119.26 120.95 1y8b h ALA 280 Ca -0.30 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.21 1y8b h ALA 280 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1y8b h ALA 280 CO 0.41 0.14 -1.45 1.49 0.00 0.00 0.00 179.25 179.84 1y8b h GLU 281 N 0.59 0.21 -0.30 0.00 4.22 -1.99 -3.32 114.58 114.00 1y8b h GLU 281 Ca 0.16 -0.36 0.04 0.00 0.08 0.00 0.00 59.36 59.27 1y8b h GLU 281 Cb 0.11 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1y8b h GLU 281 CO -0.02 1.08 -0.41 -0.44 -2.18 0.00 0.00 179.01 177.04 1y8b h ASP 282 N 0.06 -1.38 -0.99 1.04 3.32 -1.93 0.32 116.42 116.87 1y8b h ASP 282 Ca -0.21 0.18 0.15 0.00 0.02 0.00 0.00 57.03 57.17 1y8b h ASP 282 Cb 1.99 0.56 -0.09 0.00 0.22 0.00 0.00 39.33 42.01 1y8b h ASP 282 CO 0.16 -0.30 0.62 0.07 -1.72 0.00 0.00 179.24 178.07 1y8b h LYS 283 N -0.30 0.85 0.00 3.56 2.10 -1.71 0.40 116.57 121.48 1y8b h LYS 283 Ca 0.05 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.61 1y8b h LYS 283 Cb 0.44 -0.19 -0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1y8b h LYS 283 CO -0.44 0.56 -0.18 0.82 -2.00 0.00 0.00 179.45 178.22 1y8b h ILE 284 N 0.87 0.85 0.19 0.07 2.04 -0.87 0.94 117.51 121.60 1y8b h ILE 284 Ca 0.52 -0.68 -0.31 0.00 1.00 0.00 0.00 64.86 65.39 1y8b h ILE 284 Cb 0.66 1.40 0.02 0.00 -0.74 0.00 0.00 36.82 38.17 1y8b h ILE 284 CO -0.29 0.18 -1.35 0.25 0.00 0.00 0.00 178.15 176.93 1y8b h LEU 285 N 0.00 0.68 0.00 1.44 6.46 0.33 -3.30 115.31 120.91 1y8b h LEU 285 Ca -0.00 -0.71 -0.22 0.00 -0.12 0.00 0.00 57.88 56.83 1y8b h LEU 285 Cb 0.39 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1y8b h LEU 285 CO 0.02 1.55 -1.18 -0.07 -0.62 0.00 0.00 178.44 178.14 1y8b h LEU 286 N 0.13 0.00 -2.50 2.25 3.38 -0.76 -3.21 115.31 114.60 1y8b h LEU 286 Ca -0.20 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.79 1y8b h LEU 286 Cb 2.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.80 1y8b h LEU 286 CO 0.24 0.90 0.12 1.88 0.09 0.00 0.00 178.44 181.68 1y8b h TYR 287 N 0.00 0.00 -0.54 1.13 -1.99 0.82 0.88 116.97 117.27 1y8b h TYR 287 Ca -0.10 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.54 1y8b h TYR 287 Cb 1.77 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.48 1y8b h TYR 287 CO 0.00 0.00 -0.01 -0.09 -0.00 0.00 0.00 178.16 178.06 1y8b h ARG 288 N 0.00 0.93 0.03 4.88 2.43 -1.63 -2.73 114.38 118.29 1y8b h ARG 288 Ca 0.03 -0.27 -0.25 0.00 -0.81 0.00 0.00 59.98 58.68 1y8b h ARG 288 Cb 0.27 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 1y8b h ARG 288 CO -0.00 0.92 -1.23 -0.91 -1.51 0.00 0.00 179.97 177.24 1y8b h ASN 289 N 0.85 0.10 -0.99 -3.80 -0.26 -1.06 -3.05 115.58 107.38 1y8b h ASN 289 Ca 0.16 -0.13 0.10 0.00 -0.56 0.00 0.00 56.30 55.86 1y8b h ASN 289 Cb 0.51 -0.03 -0.08 0.00 -1.06 0.00 0.00 38.32 37.66 1y8b h ASN 289 CO 0.03 1.10 0.63 0.25 -1.06 0.00 0.00 177.43 178.38 1y8b h LEU 290 N 0.02 0.96 -0.18 1.61 7.12 -1.06 1.53 115.31 125.31 1y8b h LEU 290 Ca -0.11 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.81 1y8b h LEU 290 Cb 1.87 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 41.82 1y8b h LEU 290 CO 0.13 0.56 -0.58 -0.07 -0.13 0.00 0.00 178.44 178.35 1y8b h LEU 291 N 1.06 0.00 0.22 2.25 4.07 -1.55 -3.29 115.31 118.06 1y8b h LEU 291 Ca 0.46 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 58.08 1y8b h LEU 291 Cb 0.35 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.12 1y8b h LEU 291 CO -0.22 0.58 -1.61 1.23 -1.08 0.00 0.00 178.44 177.34 1y8b h GLY 292 N 3.12 0.54 0.43 0.83 0.00 -0.73 -3.14 103.07 104.11 1y8b h GLY 292 Ca -0.01 -1.38 0.19 0.00 0.00 0.00 0.00 47.33 46.14 1y8b h GLY 292 CO 0.08 1.21 0.57 0.17 0.00 0.00 0.00 176.54 178.56 1y8b h LEU 293 N 0.13 0.32 0.00 3.11 8.10 0.20 0.28 115.31 127.45 1y8b h LEU 293 Ca -0.30 0.03 -0.03 0.00 0.11 0.00 0.00 57.88 57.69 1y8b h LEU 293 Cb 2.14 -0.03 -0.00 0.00 -0.44 0.00 0.00 40.66 42.32 1y8b h LEU 293 CO 0.23 0.14 -0.58 -0.03 -4.11 0.00 0.00 178.44 174.09 1y8b h MET 294 N 0.33 0.00 0.00 0.17 4.05 -1.65 -3.28 114.93 114.55 1y8b h MET 294 Ca 0.43 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.85 1y8b h MET 294 Cb 1.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1y8b h MET 294 CO -0.13 0.08 0.00 0.94 0.23 0.00 0.00 176.91 178.03 1y8b n GLN 295 N -2.93 0.17 -3.77 0.39 -0.06 0.98 -4.74 117.38 107.42 1y8b n GLN 295 Ca 0.01 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.74 1y8b n GLN 295 Cb 0.59 -1.12 0.05 0.00 -4.06 0.00 0.00 30.24 25.69 1y8b n GLN 295 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1y8b n GLY 296 N -0.42 -0.49 0.00 1.69 0.00 -1.24 -4.82 105.19 99.92 1y8b n GLY 296 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1y8b n GLY 296 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1y8b n THR 297 N -4.73 0.00 -1.50 2.61 -2.24 -1.26 -4.95 114.28 102.21 1y8b n THR 297 Ca -0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 1y8b n THR 297 Cb 0.56 0.97 -0.20 0.00 -2.10 0.00 0.00 70.33 69.57 1y8b n THR 297 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1y8b n LEU 298 N 0.00 -0.74 -4.27 3.22 4.32 -1.26 -4.83 117.00 113.43 1y8b n LEU 298 Ca 0.00 -0.42 -0.19 0.00 -0.02 0.00 0.00 56.01 55.38 1y8b n LEU 298 Cb 0.46 -0.72 -0.11 0.00 -1.62 0.00 0.00 43.42 41.43 1y8b n LEU 298 CO 0.00 -1.34 -0.46 0.00 -1.22 0.00 0.00 177.39 174.38 1y8b s GLN 299 N 7.65 1.10 -0.13 3.23 -2.07 -1.26 -4.82 119.66 123.36 1y8b s GLN 299 Ca 1.30 -1.30 0.02 0.00 -1.82 0.00 0.00 55.36 53.56 1y8b s GLN 299 Cb -0.89 -1.01 0.01 0.00 -1.09 0.00 0.00 33.01 30.03 1y8b s GLN 299 CO 0.51 0.20 -0.19 -1.83 -1.32 0.00 0.00 175.29 172.66 1y8b s GLU 300 N -2.76 2.67 -0.20 9.60 4.04 -1.26 -4.80 118.70 125.98 1y8b s GLU 300 Ca 0.11 -0.72 -0.04 0.00 0.04 0.00 0.00 54.97 54.36 1y8b s GLU 300 Cb -0.05 -2.21 -0.01 0.00 0.02 0.00 0.00 34.13 31.88 1y8b s GLU 300 CO 0.04 -0.06 -0.04 0.15 -1.84 0.00 0.00 175.26 173.52 1y8b s LYS 301 N 0.95 3.46 -0.14 -4.83 1.02 -1.26 -4.53 119.74 114.41 1y8b s LYS 301 Ca -0.06 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.30 1y8b s LYS 301 Cb -0.15 -3.00 0.06 0.00 -0.52 0.00 0.00 37.83 34.22 1y8b s LYS 301 CO -0.03 -0.08 0.11 -1.64 -0.92 0.00 0.00 175.35 172.79 1y8b s MET 302 N 1.20 0.05 -0.07 1.68 -1.94 -1.26 -5.13 119.30 113.83 1y8b s MET 302 Ca 0.03 0.10 -0.04 0.00 -1.71 0.00 0.00 55.69 54.06 1y8b s MET 302 Cb -0.14 -1.36 0.03 0.00 2.01 0.00 0.00 34.83 35.36 1y8b s MET 302 CO -0.01 -0.57 0.17 -1.21 -0.01 0.00 0.00 175.02 173.39 1y8b s GLU 303 N 2.18 0.15 -0.34 2.03 8.01 -1.26 -3.82 118.70 125.67 1y8b s GLU 303 Ca 0.03 0.34 -0.06 0.00 0.01 0.00 0.00 54.97 55.29 1y8b s GLU 303 Cb -0.15 -0.05 0.19 0.00 -4.31 0.00 0.00 34.13 29.81 1y8b s GLU 303 CO -0.08 -0.10 0.97 0.15 0.01 0.00 0.00 175.26 176.20 1y8b s LYS 304 N 0.72 0.29 -1.40 1.61 1.02 -1.26 -4.96 119.74 115.76 1y8b s LYS 304 Ca -0.05 -0.06 -0.10 0.00 0.02 0.00 0.00 55.97 55.78 1y8b s LYS 304 Cb -0.07 0.04 0.01 0.00 -0.52 0.00 0.00 37.83 37.30 1y8b s LYS 304 CO -0.04 -0.43 0.34 -1.71 -0.92 0.00 0.00 175.35 172.59 1y8b n ASN 305 N 4.00 -1.12 0.00 2.83 4.05 -1.26 -4.55 115.26 119.21 1y8b n ASN 305 Ca 0.07 -1.19 0.00 0.00 0.45 0.00 0.00 54.58 53.91 1y8b n ASN 305 Cb 0.61 -2.15 0.00 0.00 1.23 0.00 0.00 39.78 39.48 1y8b n ASN 305 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1y8b n GLY 306 N -2.24 0.03 1.48 8.20 0.00 -1.26 -5.14 105.19 106.26 1y8b n GLY 306 Ca -0.25 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1y8b n GLY 306 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1y8b n ARG 307 N -0.36 -4.14 -4.32 1.61 0.63 -1.26 -5.06 116.66 103.75 1y8b n ARG 307 Ca 0.00 3.00 -0.17 0.00 -0.92 0.00 0.00 57.85 59.76 1y8b n ARG 307 Cb 0.00 -3.31 -0.10 0.00 0.45 0.00 0.00 32.46 29.50 1y8b n ARG 307 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1y8b s GLN 308 N -2.64 1.43 0.49 -0.14 -0.21 -1.25 -4.98 119.66 112.37 1y8b s GLN 308 Ca 0.00 -1.78 -0.14 0.00 0.02 0.00 0.00 55.36 53.46 1y8b s GLN 308 Cb 0.00 -0.28 -0.07 0.00 1.00 0.00 0.00 33.01 33.66 1y8b s GLN 308 CO 0.00 -0.30 0.91 -1.50 -2.12 0.00 0.00 175.29 172.29 1y8b s ILE 309 N -3.73 4.64 -0.00 1.08 2.07 -1.26 -4.97 121.20 119.03 1y8b s ILE 309 Ca 0.38 0.97 0.05 0.00 -1.41 0.00 0.00 60.65 60.63 1y8b s ILE 309 Cb 0.08 -3.74 -0.01 0.00 0.13 0.00 0.00 42.46 38.91 1y8b s ILE 309 CO 0.14 -0.68 -0.16 -0.69 -1.91 0.00 0.00 174.94 171.64 1y8b s VAL 310 N -2.60 1.26 -0.53 4.00 1.01 -1.26 -4.85 120.40 117.43 1y8b s VAL 310 Ca 0.56 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 1y8b s VAL 310 Cb -0.10 -1.07 0.10 0.00 0.00 0.00 0.00 36.38 35.31 1y8b s VAL 310 CO 0.34 0.29 0.54 -0.13 0.00 0.00 0.00 175.10 176.13 1y8b s ARG 311 N -0.55 3.02 -0.19 2.72 0.52 -1.26 -5.05 118.95 118.16 1y8b s ARG 311 Ca 0.06 -1.42 -0.09 0.00 -0.52 0.00 0.00 55.73 53.76 1y8b s ARG 311 Cb -0.07 -4.22 -0.05 0.00 0.52 0.00 0.00 34.95 31.14 1y8b s ARG 311 CO -0.00 -1.29 0.11 0.15 0.02 0.00 0.00 175.30 174.29 1y8b s LYS 312 N 1.99 4.09 -0.46 3.54 1.02 -1.26 -4.52 119.74 124.14 1y8b s LYS 312 Ca 0.07 -0.26 -0.02 0.00 0.02 0.00 0.00 55.97 55.78 1y8b s LYS 312 Cb -0.26 -3.34 0.12 0.00 -0.52 0.00 0.00 37.83 33.84 1y8b s LYS 312 CO 0.06 0.31 0.26 -0.48 -0.92 0.00 0.00 175.35 174.58 1y8b s LEU 313 N 0.31 5.18 0.00 3.17 2.34 -1.26 -5.04 118.68 123.38 1y8b s LEU 313 Ca 0.07 -2.29 0.00 0.00 0.06 0.00 0.00 54.13 51.96 1y8b s LEU 313 Cb -0.11 -1.81 0.00 0.00 -0.56 0.00 0.00 46.19 43.70 1y8b s LEU 313 CO -0.01 -0.48 0.00 0.59 -1.06 0.00 0.00 176.35 175.39 1y8b n ASN 314 N 4.23 0.00 -2.92 1.48 4.13 -1.26 -4.73 115.26 116.19 1y8b n ASN 314 Ca 0.01 0.00 -0.08 0.00 1.68 0.00 0.00 54.58 56.19 1y8b n ASN 314 Cb 0.40 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.63 1y8b n ASN 314 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1y8b s ASP 315 N -2.91 -0.87 0.92 6.41 2.15 -1.26 -5.01 116.67 116.10 1y8b s ASP 315 Ca 0.00 -1.92 0.00 0.00 0.43 0.00 0.00 52.55 51.06 1y8b s ASP 315 Cb 0.00 1.45 0.00 0.00 -0.30 0.00 0.00 42.92 44.07 1y8b s ASP 315 CO 0.00 -0.09 0.00 -0.67 -0.17 0.00 0.00 175.17 174.24 1y8b n ASP 316 N 3.05 0.00 -3.84 -0.34 -0.08 -1.26 -4.75 116.55 109.33 1y8b n ASP 316 Ca 0.20 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.35 1y8b n ASP 316 Cb 0.54 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.86 1y8b n ASP 316 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1y8b s ARG 317 N 0.00 0.03 0.07 -0.67 0.52 -1.26 -4.99 118.95 112.65 1y8b s ARG 317 Ca 0.00 0.07 0.09 0.00 -0.52 0.00 0.00 55.73 55.37 1y8b s ARG 317 Cb 0.00 -0.02 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 1y8b s ARG 317 CO 0.00 -0.03 -0.23 -3.38 0.02 0.00 0.00 175.30 171.68 1y8b s HIS 318 N 0.18 2.01 0.17 -0.53 -3.43 -1.26 -4.14 115.29 108.29 1y8b s HIS 318 Ca -0.01 -0.39 -0.09 0.00 -0.80 0.00 0.00 55.06 53.76 1y8b s HIS 318 Cb -0.02 -1.16 -0.01 0.00 -1.43 0.00 0.00 32.58 29.96 1y8b s HIS 318 CO -0.01 0.17 0.30 0.71 -2.00 0.00 0.00 174.74 173.91 1y8b s TYR 319 N -0.93 0.41 -0.41 0.38 2.02 -0.22 -4.68 117.35 113.93 1y8b s TYR 319 Ca 0.09 -0.77 -0.19 0.00 -0.37 0.00 0.00 57.07 55.84 1y8b s TYR 319 Cb -0.10 -0.05 0.02 0.00 -0.40 0.00 0.00 41.96 41.43 1y8b s TYR 319 CO 0.03 -0.74 0.53 0.99 -1.57 0.00 0.00 175.55 174.80 1y8b s THR 320 N -3.98 4.97 0.44 -0.71 2.01 0.91 0.11 115.64 119.40 1y8b s THR 320 Ca 0.18 -0.02 -0.25 0.00 0.31 0.00 0.00 61.69 61.91 1y8b s THR 320 Cb 0.03 -4.09 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 1y8b s THR 320 CO 0.01 -0.45 1.39 0.00 -0.69 0.00 0.00 174.62 174.88 1y8b s ALA 321 N 2.46 3.22 0.28 7.40 0.00 0.24 -1.92 121.76 133.44 1y8b s ALA 321 Ca 0.18 1.39 0.08 0.00 0.00 0.00 0.00 51.96 53.60 1y8b s ALA 321 Cb -0.16 -3.56 0.41 0.00 0.00 0.00 0.00 23.12 19.82 1y8b s ALA 321 CO 0.16 -1.10 1.08 0.00 0.00 0.00 0.00 175.76 175.90 1y8b h ALA 322 N 2.37 1.42 0.00 0.00 0.00 -1.77 2.55 119.26 123.83 1y8b h ALA 322 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1y8b h ALA 322 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1y8b h ALA 322 CO 0.61 -0.42 0.00 -0.25 0.00 0.00 0.00 179.25 179.19 1y8b n ASP 323 N -2.04 0.00 0.00 0.00 8.00 -1.26 -4.88 116.55 116.36 1y8b n ASP 323 Ca -0.01 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1y8b n ASP 323 Cb 0.58 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 1y8b n ASP 323 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y8b n GLY 324 N 1.30 3.01 3.67 0.44 0.00 0.86 -5.04 105.19 109.42 1y8b n GLY 324 Ca 0.12 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1y8b n GLY 324 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y8b s SER 325 N 0.71 2.66 -0.14 1.61 1.04 -1.25 -4.58 113.70 113.75 1y8b s SER 325 Ca 0.00 1.25 -0.19 0.00 0.48 0.00 0.00 55.95 57.49 1y8b s SER 325 Cb 0.00 -1.93 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 1y8b s SER 325 CO 0.00 -3.12 0.52 -0.70 0.98 0.00 0.00 173.24 170.92 1y8b s GLU 326 N -4.94 4.30 0.08 4.02 2.56 -1.26 0.82 118.70 124.28 1y8b s GLU 326 Ca 0.65 0.49 0.07 0.00 0.00 0.00 0.00 54.97 56.18 1y8b s GLU 326 Cb -0.19 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.42 1y8b s GLU 326 CO 0.58 0.04 -0.13 -1.50 -0.56 0.00 0.00 175.26 173.68 1y8b s ILE 327 N 1.01 3.14 -0.03 -3.70 2.07 0.30 -4.79 121.20 119.19 1y8b s ILE 327 Ca 0.27 -1.26 -0.03 0.00 -1.41 0.00 0.00 60.65 58.22 1y8b s ILE 327 Cb -0.15 -2.42 0.01 0.00 0.13 0.00 0.00 42.46 40.03 1y8b s ILE 327 CO 0.11 0.19 0.08 -0.44 -1.91 0.00 0.00 174.94 172.97 1y8b s SER 328 N -1.95 -0.07 0.15 4.50 0.01 -1.26 -1.05 113.70 114.03 1y8b s SER 328 Ca 0.19 0.16 0.10 0.00 1.31 0.00 0.00 55.95 57.71 1y8b s SER 328 Cb -0.11 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 1y8b s SER 328 CO 0.10 -0.05 -0.23 -0.76 0.41 0.00 0.00 173.24 172.71 1y8b s LEU 329 N 0.26 2.37 -0.87 2.44 1.02 -1.26 -5.01 118.68 117.63 1y8b s LEU 329 Ca -0.02 -0.80 -0.21 0.00 0.02 0.00 0.00 54.13 53.13 1y8b s LEU 329 Cb -0.03 -1.06 -0.22 0.00 0.02 0.00 0.00 46.19 44.90 1y8b s LEU 329 CO -0.01 0.09 2.38 0.00 0.02 0.00 0.00 176.35 178.83 1y8b n HIS 330 N 0.62 0.64 0.27 0.29 1.44 -1.26 -4.61 115.22 112.60 1y8b n HIS 330 Ca -0.16 0.09 0.14 0.00 -2.01 0.00 0.00 57.72 55.79 1y8b n HIS 330 Cb 0.55 -1.78 0.71 0.00 0.12 0.00 0.00 29.99 29.59 1y8b n HIS 330 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 1y8b h GLY 331 N 15.58 0.00 -4.14 -1.39 0.00 -1.94 -3.43 103.07 107.75 1y8b h GLY 331 Ca -0.03 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.73 1y8b h GLY 331 CO 1.34 0.00 -0.32 -1.60 0.00 0.00 0.00 176.54 175.96 1y8b s ARG 332 N -3.94 3.58 0.36 4.80 3.52 -1.26 -4.65 118.95 121.37 1y8b s ARG 332 Ca -0.01 -0.17 -0.27 0.00 -0.13 0.00 0.00 55.73 55.14 1y8b s ARG 332 Cb 0.11 -2.85 -0.09 0.00 -1.56 0.00 0.00 34.95 30.56 1y8b s ARG 332 CO 0.57 0.45 1.26 -1.12 -0.81 0.00 0.00 175.30 175.65 1y8b s SER 333 N -2.65 6.64 0.43 -2.12 0.01 -1.23 -4.93 113.70 109.84 1y8b s SER 333 Ca 0.40 2.59 -0.26 0.00 1.31 0.00 0.00 55.95 59.99 1y8b s SER 333 Cb -0.12 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.38 1y8b s SER 333 CO 0.26 -0.62 1.37 -0.11 0.41 0.00 0.00 173.24 174.56 1y8b n LEU 334 N 0.51 4.61 -4.26 2.44 7.94 0.32 -4.68 117.00 123.87 1y8b n LEU 334 Ca 0.02 1.13 -0.38 0.00 -1.11 0.00 0.00 56.01 55.67 1y8b n LEU 334 Cb 0.43 -1.56 -0.12 0.00 0.53 0.00 0.00 43.42 42.70 1y8b n LEU 334 CO 0.56 -0.32 -0.23 -0.76 -1.11 0.00 0.00 177.39 175.53 1y8b s LEU 335 N -2.16 4.49 -0.11 -1.96 1.02 -1.25 0.16 118.68 118.86 1y8b s LEU 335 Ca 0.60 -1.24 -0.23 0.00 0.02 0.00 0.00 54.13 53.28 1y8b s LEU 335 Cb -0.48 -1.88 -0.03 0.00 0.02 0.00 0.00 46.19 43.82 1y8b s LEU 335 CO 0.59 -0.37 0.71 -0.36 0.02 0.00 0.00 176.35 176.94 1y8b s PHE 336 N 1.39 3.51 -0.32 0.29 0.40 0.82 -4.48 117.98 119.59 1y8b s PHE 336 Ca -0.00 1.19 -0.24 0.00 -0.60 0.00 0.00 56.93 57.28 1y8b s PHE 336 Cb -0.20 -2.85 0.00 0.00 0.51 0.00 0.00 43.02 40.49 1y8b s PHE 336 CO 0.02 -0.03 0.80 0.42 0.70 0.00 0.00 175.22 177.14 1y8b s ILE 337 N 1.28 4.76 -0.10 0.64 1.09 0.29 -1.25 121.20 127.90 1y8b s ILE 337 Ca 0.36 1.13 0.03 0.00 -1.10 0.00 0.00 60.65 61.08 1y8b s ILE 337 Cb -0.17 -4.18 -0.01 0.00 -1.06 0.00 0.00 42.46 37.04 1y8b s ILE 337 CO 0.15 -0.31 -0.21 -0.60 -0.10 0.00 0.00 174.94 173.87 1y8b s ARG 338 N 3.04 3.03 -0.01 2.79 3.52 -1.16 0.52 118.95 130.68 1y8b s ARG 338 Ca 0.33 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 55.12 1y8b s ARG 338 Cb -0.14 -2.37 0.00 0.00 -1.56 0.00 0.00 34.95 30.88 1y8b s ARG 338 CO 0.14 0.24 -0.05 0.54 -0.81 0.00 0.00 175.30 175.36 1y8b s ASN 339 N 0.21 0.69 0.37 -2.12 2.20 -1.26 -4.60 114.94 110.43 1y8b s ASN 339 Ca -0.13 -0.10 0.08 0.00 -0.94 0.00 0.00 52.86 51.77 1y8b s ASN 339 Cb -0.16 -0.14 -0.07 0.00 -2.00 0.00 0.00 41.25 38.88 1y8b s ASN 339 CO 0.07 0.04 -0.03 -0.69 -2.94 0.00 0.00 177.10 173.54 1y8b s VAL 340 N 0.11 2.18 -0.39 3.54 1.01 -1.26 -4.87 120.40 120.71 1y8b s VAL 340 Ca -0.01 -2.09 -0.29 0.00 0.00 0.00 0.00 61.98 59.60 1y8b s VAL 340 Cb -0.05 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.54 1y8b s VAL 340 CO -0.00 -0.11 1.08 -0.83 0.00 0.00 0.00 175.10 175.24 1y8b s GLY 341 N -3.67 1.45 -0.24 4.51 0.00 -1.26 -4.77 107.32 103.34 1y8b s GLY 341 Ca 0.34 -0.27 0.11 0.00 0.00 0.00 0.00 44.72 44.91 1y8b s GLY 341 CO 0.18 2.30 1.65 -2.39 0.00 0.00 0.00 173.10 174.84 1y8b n HIS 342 N 7.25 1.99 0.28 1.90 1.44 -1.26 -4.44 115.22 122.38 1y8b n HIS 342 Ca 0.11 -0.78 0.18 0.00 -2.01 0.00 0.00 57.72 55.22 1y8b n HIS 342 Cb 0.48 -0.53 0.94 0.00 0.12 0.00 0.00 29.99 31.01 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 3.28 0.00 -1.89 2.39 8.10 -1.87 -0.86 115.31 124.46 1y8b h LEU 343 Ca 0.07 0.00 0.16 0.00 0.11 0.00 0.00 57.88 58.22 1y8b h LEU 343 Cb 1.95 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 42.14 1y8b h LEU 343 CO 0.52 0.00 0.44 -0.03 -4.11 0.00 0.00 178.44 175.25 1y8b h MET 344 N 0.00 0.11 0.00 0.17 4.05 -1.90 -3.42 114.93 113.94 1y8b h MET 344 Ca 0.04 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1y8b h MET 344 Cb 0.38 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1y8b h MET 344 CO -0.00 0.07 0.00 0.25 0.23 0.00 0.00 176.91 177.46 1y8b n THR 345 N -4.40 0.00 -2.77 -0.77 -2.24 -0.33 -5.05 114.28 98.72 1y8b n THR 345 Ca 0.12 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.49 1y8b n THR 345 Cb 0.62 -0.60 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 1y8b n THR 345 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1y8b s ILE 346 N 2.17 4.43 1.07 2.28 -1.09 -1.26 -5.05 121.20 123.75 1y8b s ILE 346 Ca 0.00 2.01 -0.18 0.00 -2.23 0.00 0.00 60.65 60.25 1y8b s ILE 346 Cb 0.00 -4.29 0.28 0.00 -1.58 0.00 0.00 42.46 36.86 1y8b s ILE 346 CO 0.00 0.37 0.72 -0.81 -1.23 0.00 0.00 174.94 173.99 1y8b n PRO 347 N 2.46 -3.76 0.02 2.79 -0.04 -1.26 -4.90 135.00 130.31 1y8b n PRO 347 Ca 0.00 -1.19 -0.01 0.00 -0.04 0.00 0.00 63.50 62.27 1y8b n PRO 347 Cb 0.49 -1.40 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -4.92 0.94 -4.15 0.52 0.31 -1.26 -4.85 118.33 104.92 1y8b n VAL 348 Ca 0.11 0.29 -0.26 0.00 -0.01 0.00 0.00 64.34 64.47 1y8b n VAL 348 Cb 0.46 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.78 1y8b n VAL 348 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 1y8b s ILE 349 N -1.84 4.12 -0.05 2.52 -4.36 -1.26 -4.81 121.20 115.52 1y8b s ILE 349 Ca -0.03 -1.30 0.02 0.00 -0.26 0.00 0.00 60.65 59.08 1y8b s ILE 349 Cb 0.00 -3.11 -0.03 0.00 1.25 0.00 0.00 42.46 40.57 1y8b s ILE 349 CO 0.05 -0.15 -0.09 0.26 0.24 0.00 0.00 174.94 175.24 1y8b s TRP 350 N -1.82 2.85 0.76 1.37 0.52 -1.13 -4.81 118.94 116.68 1y8b s TRP 350 Ca 0.30 -0.05 -0.12 0.00 0.02 0.00 0.00 56.10 56.25 1y8b s TRP 350 Cb -0.09 -1.66 0.05 0.00 -1.15 0.00 0.00 33.47 30.61 1y8b s TRP 350 CO 0.21 0.29 1.11 0.34 0.02 0.00 0.00 176.95 178.93 1y8b s ASP 351 N -0.91 4.89 0.00 2.95 -1.08 -1.26 -1.30 116.67 119.96 1y8b s ASP 351 Ca 0.13 1.16 0.28 0.00 -0.52 0.00 0.00 52.55 53.60 1y8b s ASP 351 Cb -0.11 -1.89 1.43 0.00 -1.46 0.00 0.00 42.92 40.89 1y8b s ASP 351 CO 0.02 -1.70 1.97 -0.24 0.52 0.00 0.00 175.17 175.75 1y8b n SER 352 N -3.24 0.00 0.17 -0.34 2.88 -1.26 -3.00 113.62 108.83 1y8b n SER 352 Ca 0.07 -0.13 0.13 0.00 -1.33 0.00 0.00 58.87 57.61 1y8b n SER 352 Cb 0.57 -0.28 0.43 0.00 -0.75 0.00 0.00 64.21 64.18 1y8b n SER 352 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1y8b h GLU 353 N 0.00 0.00 0.00 -1.46 4.57 -1.93 -3.46 114.58 112.29 1y8b h GLU 353 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1y8b h GLU 353 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1y8b h GLU 353 CO 0.00 0.00 0.00 0.41 -1.18 0.00 0.00 179.01 178.24 1y8b n GLY 354 N 0.69 0.65 3.09 1.92 0.00 -1.16 -5.05 105.19 105.34 1y8b n GLY 354 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1y8b n GLY 354 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8b s ASN 355 N -2.91 1.83 -0.84 1.61 2.20 -1.26 -5.01 114.94 110.55 1y8b s ASN 355 Ca 0.00 -0.29 -0.25 0.00 -0.94 0.00 0.00 52.86 51.38 1y8b s ASN 355 Cb 0.00 -0.46 -0.03 0.00 -2.00 0.00 0.00 41.25 38.76 1y8b s ASN 355 CO 0.00 0.13 1.84 -1.61 -2.94 0.00 0.00 177.10 174.52 1y8b s GLU 356 N 0.03 2.72 -0.04 3.55 2.02 -1.26 -4.05 118.70 121.68 1y8b s GLU 356 Ca -0.02 -0.19 0.01 0.00 0.02 0.00 0.00 54.97 54.79 1y8b s GLU 356 Cb -0.10 -4.91 -0.26 0.00 0.10 0.00 0.00 34.13 28.96 1y8b s GLU 356 CO 0.01 -3.04 0.68 0.82 0.02 0.00 0.00 175.26 173.75 1y8b h ILE 357 N 7.07 0.94 -3.41 -1.63 1.08 -1.96 -3.45 117.51 116.15 1y8b h ILE 357 Ca 0.01 -2.66 -0.59 0.00 -0.39 0.00 0.00 64.86 61.23 1y8b h ILE 357 Cb 1.04 2.60 -0.09 0.00 -3.07 0.00 0.00 36.82 37.30 1y8b h ILE 357 CO 1.24 0.75 0.01 -2.16 -0.69 0.00 0.00 178.15 177.30 1y8b s PRO 358 N -2.60 4.25 -0.45 2.37 0.04 -1.26 -4.89 135.00 132.46 1y8b s PRO 358 Ca -0.11 0.54 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1y8b s PRO 358 Cb 0.07 -3.53 0.27 0.00 0.04 0.00 0.00 34.50 31.35 1y8b s PRO 358 CO 0.82 -0.10 1.02 -0.85 0.04 0.00 0.00 177.00 177.93 1y8b n GLU 359 N 4.55 0.72 0.00 4.56 -0.00 -1.26 -4.71 120.64 124.50 1y8b n GLU 359 Ca -0.04 -1.58 0.00 0.00 -0.00 0.00 0.00 57.16 55.54 1y8b n GLU 359 Cb 0.50 -1.13 0.00 0.00 -0.00 0.00 0.00 31.44 30.82 1y8b n GLU 359 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1y8b n GLY 360 N 1.26 0.77 0.34 -1.84 0.00 -1.26 -2.96 105.19 101.50 1y8b n GLY 360 Ca 0.06 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.02 -0.66 -0.61 2.10 -1.95 0.39 117.51 116.80 1y8b h ILE 361 Ca 0.00 0.00 0.14 0.00 1.08 0.00 0.00 64.86 66.08 1y8b h ILE 361 Cb 0.00 0.59 -0.04 0.00 -1.09 0.00 0.00 36.82 36.28 1y8b h ILE 361 CO 0.00 0.00 0.45 0.25 -1.08 0.00 0.00 178.15 177.77 1y8b h LEU 362 N 0.00 0.27 -0.91 2.19 6.46 -1.94 0.14 115.31 121.51 1y8b h LEU 362 Ca 0.01 0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.68 1y8b h LEU 362 Cb 0.84 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.72 1y8b h LEU 362 CO -0.00 0.14 -0.38 -0.78 -0.62 0.00 0.00 178.44 176.81 1y8b h ASP 363 N 0.29 0.34 0.43 1.25 3.58 -1.27 -2.92 116.42 118.12 1y8b h ASP 363 Ca 0.32 -0.14 -0.23 0.00 0.42 0.00 0.00 57.03 57.40 1y8b h ASP 363 Cb 0.86 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1y8b h ASP 363 CO -0.08 0.69 -0.99 1.23 -2.88 0.00 0.00 179.24 177.22 1y8b h GLY 364 N 1.15 0.39 0.87 -0.78 0.00 -0.93 -3.27 103.07 100.49 1y8b h GLY 364 Ca 0.03 -0.73 0.02 0.00 0.00 0.00 0.00 47.33 46.64 1y8b h GLY 364 CO 0.06 0.65 0.12 -2.08 0.00 0.00 0.00 176.54 175.29 1y8b h VAL 365 N 0.18 0.98 -0.77 4.60 2.07 -1.10 -1.54 116.25 120.67 1y8b h VAL 365 Ca -0.08 -0.09 0.17 0.00 0.82 0.00 0.00 66.70 67.52 1y8b h VAL 365 Cb 1.64 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 1y8b h VAL 365 CO 0.17 0.05 0.52 -0.03 0.02 0.00 0.00 177.57 178.30 1y8b h MET 366 N 0.26 0.32 0.00 1.57 -1.53 -1.57 0.55 114.93 114.52 1y8b h MET 366 Ca 0.11 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.35 1y8b h MET 366 Cb 0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.02 1y8b h MET 366 CO -0.08 0.21 0.00 0.25 0.14 0.00 0.00 176.91 177.43 1y8b n THR 367 N -4.46 0.35 0.01 -0.77 -2.24 -0.60 -3.68 114.28 102.89 1y8b n THR 367 Ca 0.15 0.05 -0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1y8b n THR 367 Cb 0.62 -0.66 -0.00 0.00 -2.10 0.00 0.00 70.33 68.18 1y8b n THR 367 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1y8b h GLY 368 N 4.19 -0.02 -0.57 3.38 0.00 0.35 -3.30 103.07 107.10 1y8b h GLY 368 Ca 0.00 0.01 0.14 0.00 0.00 0.00 0.00 47.33 47.48 1y8b h GLY 368 CO 0.00 -0.01 -0.25 0.00 0.00 0.00 0.00 176.54 176.29 1y8b h ALA 369 N -1.94 0.36 -0.72 3.60 0.00 -1.69 0.94 119.26 119.80 1y8b h ALA 369 Ca -0.00 0.27 0.21 0.00 0.00 0.00 0.00 54.91 55.39 1y8b h ALA 369 Cb 0.02 0.68 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1y8b h ALA 369 CO 0.00 -0.49 0.89 0.82 0.00 0.00 0.00 179.25 180.48 1y8b h ILE 370 N -0.04 0.13 0.00 0.00 2.04 -1.70 0.88 117.51 118.82 1y8b h ILE 370 Ca 0.34 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 1y8b h ILE 370 Cb 0.57 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1y8b h ILE 370 CO -0.79 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 177.33 1y8b h ALA 371 N 0.89 1.66 -0.14 1.87 0.00 0.85 -1.86 119.26 122.54 1y8b h ALA 371 Ca 0.34 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1y8b h ALA 371 Cb 2.12 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1y8b h ALA 371 CO -0.00 0.03 0.54 -0.07 0.00 0.00 0.00 179.25 179.75 1y8b h LEU 372 N 0.00 0.00 0.60 0.00 4.07 0.67 -1.28 115.31 119.37 1y8b h LEU 372 Ca -0.00 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 1y8b h LEU 372 Cb 0.05 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.80 1y8b h LEU 372 CO 0.00 0.00 -0.29 0.22 -1.08 0.00 0.00 178.44 177.30 1y8b h TYR 373 N 0.00 -0.74 -0.00 1.13 5.03 -1.54 0.76 116.97 121.61 1y8b h TYR 373 Ca 0.06 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1y8b h TYR 373 Cb 1.15 0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.67 1y8b h TYR 373 CO 0.00 -0.42 0.01 -0.44 -1.32 0.00 0.00 178.16 175.99 1y8b h ASP 374 N -1.12 0.00 0.09 -2.11 3.32 -1.46 -2.21 116.42 112.93 1y8b h ASP 374 Ca -0.08 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.71 1y8b h ASP 374 Cb 0.66 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1y8b h ASP 374 CO 0.13 0.00 -1.34 -0.07 -1.72 0.00 0.00 179.24 176.25 1y8b h LEU 375 N 0.00 0.31 -0.23 1.55 3.38 -1.17 -3.36 115.31 115.79 1y8b h LEU 375 Ca 0.00 -0.82 0.01 0.00 0.09 0.00 0.00 57.88 57.16 1y8b h LEU 375 Cb 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1y8b h LEU 375 CO -0.00 1.58 0.12 0.11 0.09 0.00 0.00 178.44 180.34 1y8b h LYS 376 N -0.41 0.25 -0.99 1.13 1.79 0.11 -2.54 116.57 115.91 1y8b h LYS 376 Ca -0.30 -0.02 0.11 0.00 -2.18 0.00 0.00 60.65 58.27 1y8b h LYS 376 Cb 1.67 -0.06 -0.13 0.00 -1.58 0.00 0.00 32.23 32.13 1y8b h LYS 376 CO 0.02 0.17 -0.51 1.33 -1.08 0.00 0.00 179.45 179.38 1y8b n VAL 377 N -4.97 -0.62 0.00 0.50 0.24 -0.90 -4.86 118.33 107.72 1y8b n VAL 377 Ca -0.02 2.37 0.00 0.00 -2.04 0.00 0.00 64.34 64.65 1y8b n VAL 377 Cb 0.05 -3.00 0.00 0.00 -1.47 0.00 0.00 33.84 29.42 1y8b n VAL 377 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1y8b n GLN 378 N -5.32 0.00 0.00 7.34 7.27 -0.96 -5.02 117.38 120.69 1y8b n GLN 378 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1y8b n GLN 378 Cb 0.31 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.96 1y8b n GLN 378 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1y8b n LYS 379 N -0.13 0.00 -3.16 3.69 2.85 -1.26 -4.75 118.16 115.41 1y8b n LYS 379 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1y8b n LYS 379 Cb 0.00 0.00 -0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1y8b n LYS 379 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 1y8b s ASN 380 N 0.00 -1.57 0.30 -5.58 0.01 -1.26 -4.99 114.94 101.86 1y8b s ASN 380 Ca 0.00 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.23 1y8b s ASN 380 Cb 0.00 1.99 -0.05 0.00 0.41 0.00 0.00 41.25 43.60 1y8b s ASN 380 CO 0.00 -0.27 0.09 -0.55 -1.51 0.00 0.00 177.10 174.86 1y8b s SER 381 N 2.70 1.84 -0.14 -1.22 0.15 -1.26 -5.04 113.70 110.73 1y8b s SER 381 Ca 0.12 -1.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.05 1y8b s SER 381 Cb -0.09 0.13 -0.26 0.00 -1.71 0.00 0.00 66.02 64.09 1y8b s SER 381 CO -0.23 -0.72 0.79 0.03 1.20 0.00 0.00 173.24 174.30 1y8b h ARG 382 N 2.20 0.00 -0.50 5.44 3.08 -1.99 -3.35 114.38 119.27 1y8b h ARG 382 Ca -0.38 -0.00 -0.24 0.00 0.07 0.00 0.00 59.98 59.43 1y8b h ARG 382 Cb 1.25 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.16 1y8b h ARG 382 CO 0.63 0.98 0.10 0.25 -1.07 0.00 0.00 179.97 180.86 1y8b n THR 383 N -4.62 2.68 0.04 2.04 -2.24 -1.26 -4.52 114.28 106.41 1y8b n THR 383 Ca -0.10 -2.45 0.01 0.00 -2.27 0.00 0.00 64.05 59.25 1y8b n THR 383 Cb 0.47 -0.35 -0.08 0.00 -2.10 0.00 0.00 70.33 68.28 1y8b n THR 383 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1y8b n GLY 384 N -1.02 -1.22 3.73 3.38 0.00 -1.26 -4.90 105.19 103.90 1y8b n GLY 384 Ca 0.38 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1y8b n GLY 384 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1y8b n SER 385 N -2.86 3.21 -4.50 1.61 7.64 -1.26 -4.63 113.62 112.82 1y8b n SER 385 Ca -0.09 1.21 -0.37 0.00 1.01 0.00 0.00 58.87 60.63 1y8b n SER 385 Cb 0.81 -1.54 -0.12 0.00 -1.01 0.00 0.00 64.21 62.35 1y8b n SER 385 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1y8b s VAL 386 N -1.02 4.71 -0.24 0.44 1.01 -1.26 -4.91 120.40 119.14 1y8b s VAL 386 Ca 0.55 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.45 1y8b s VAL 386 Cb -0.53 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1y8b s VAL 386 CO 0.62 0.29 -0.05 -0.31 0.00 0.00 0.00 175.10 175.65 1y8b s TYR 387 N 1.67 3.01 -0.23 5.22 1.51 -1.26 0.19 117.35 127.46 1y8b s TYR 387 Ca 0.07 -1.25 -0.06 0.00 -1.01 0.00 0.00 57.07 54.81 1y8b s TYR 387 Cb -0.16 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1y8b s TYR 387 CO 0.07 -0.65 0.02 0.42 -1.11 0.00 0.00 175.55 174.30 1y8b s ILE 388 N 1.40 3.95 -0.38 2.71 1.01 -1.00 0.10 121.20 128.99 1y8b s ILE 388 Ca 0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 1y8b s ILE 388 Cb -0.15 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.54 1y8b s ILE 388 CO -0.04 0.38 0.20 0.54 0.00 0.00 0.00 174.94 176.02 1y8b s VAL 389 N 1.50 4.21 -0.07 2.92 0.11 0.19 0.24 120.40 129.50 1y8b s VAL 389 Ca 0.06 -1.15 -0.04 0.00 -2.93 0.00 0.00 61.98 57.91 1y8b s VAL 389 Cb -0.15 -3.45 0.03 0.00 -1.53 0.00 0.00 36.38 31.28 1y8b s VAL 389 CO 0.01 -0.33 0.17 -0.75 -3.33 0.00 0.00 175.10 170.87 1y8b s LYS 390 N 1.46 0.15 0.00 1.54 2.20 0.34 -4.08 119.74 121.35 1y8b s LYS 390 Ca 0.01 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1y8b s LYS 390 Cb -0.21 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.05 1y8b s LYS 390 CO 0.04 -0.11 0.00 -0.35 -0.36 0.00 0.00 175.35 174.57 1y8b n PRO 391 N 3.73 0.00 -2.78 4.03 -0.04 -1.26 -4.10 135.00 134.57 1y8b n PRO 391 Ca -0.21 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.23 1y8b n PRO 391 Cb 0.55 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.99 1y8b n PRO 391 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1y8b n LYS 392 N 0.00 -3.24 -0.95 0.54 4.81 -1.26 -4.71 118.16 113.35 1y8b n LYS 392 Ca 0.00 2.61 -0.21 0.00 -0.87 0.00 0.00 58.31 59.84 1y8b n LYS 392 Cb 0.00 -4.23 0.17 0.00 0.02 0.00 0.00 35.03 30.99 1y8b n LYS 392 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1y8b n MET 393 N 1.33 -1.96 0.00 1.64 0.00 -1.26 -5.03 117.12 111.83 1y8b n MET 393 Ca -0.15 -1.31 0.00 0.00 -0.00 0.00 0.00 57.70 56.24 1y8b n MET 393 Cb 0.30 -1.09 0.00 0.00 0.00 0.00 0.00 33.22 32.42 1y8b n MET 393 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 1y8b n HIS 394 N -3.87 0.00 -0.37 1.12 1.44 -1.26 -5.12 115.22 107.17 1y8b n HIS 394 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1y8b n HIS 394 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 1y8b n HIS 394 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1y8b n GLY 395 N 0.00 -1.23 0.24 -1.39 0.00 -1.26 -4.94 105.19 96.61 1y8b n GLY 395 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.51 0.00 1.61 0.11 -1.99 -1.64 132.00 129.58 1y8b h PRO 396 Ca 0.00 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1y8b h PRO 396 Cb 0.00 0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1y8b h PRO 396 CO 0.00 -0.25 -0.16 0.37 -0.21 0.00 0.00 178.00 177.75 1y8b h GLN 397 N -0.71 0.00 -0.03 1.05 4.15 -2.02 -3.27 115.11 114.28 1y8b h GLN 397 Ca -0.05 0.00 -0.25 0.00 0.77 0.00 0.00 58.65 59.12 1y8b h GLN 397 Cb 0.50 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.21 1y8b h GLN 397 CO 0.09 0.00 -0.95 0.93 -1.93 0.00 0.00 178.83 176.97 1y8b h GLU 398 N 0.00 0.69 -0.73 1.69 3.07 -1.90 -3.11 114.58 114.29 1y8b h GLU 398 Ca 0.00 -0.71 0.17 0.00 -0.50 0.00 0.00 59.36 58.32 1y8b h GLU 398 Cb 0.79 0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.85 1y8b h GLU 398 CO 0.00 1.29 0.50 0.28 -1.40 0.00 0.00 179.01 179.68 1y8b h VAL 399 N 0.37 0.73 -0.56 3.13 2.07 -1.35 0.25 116.25 120.90 1y8b h VAL 399 Ca -0.11 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1y8b h VAL 399 Cb 1.60 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1y8b h VAL 399 CO 0.19 0.05 0.34 0.00 0.02 0.00 0.00 177.57 178.16 1y8b h ALA 400 N 1.65 1.55 0.16 1.67 0.00 -1.68 0.28 119.26 122.89 1y8b h ALA 400 Ca 0.36 -0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.99 1y8b h ALA 400 Cb 1.04 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 18.63 1y8b h ALA 400 CO -0.08 0.40 -0.94 0.35 0.00 0.00 0.00 179.25 178.98 1y8b h PHE 401 N 0.77 0.62 -0.69 0.00 3.04 -0.66 -2.62 116.94 117.40 1y8b h PHE 401 Ca 0.20 -0.46 -0.03 0.00 3.98 0.00 0.00 57.97 61.67 1y8b h PHE 401 Cb -0.04 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.42 1y8b h PHE 401 CO 0.00 1.36 0.32 0.00 -2.02 0.00 0.00 178.31 177.97 1y8b h ALA 402 N 0.09 1.27 0.00 2.41 0.00 -0.94 -1.82 119.26 120.28 1y8b h ALA 402 Ca -0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1y8b h ALA 402 Cb 1.74 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1y8b h ALA 402 CO 0.17 0.56 -0.56 -0.91 0.00 0.00 0.00 179.25 178.51 1y8b h ASN 403 N 0.98 0.00 -0.08 0.00 2.35 -0.53 -2.75 115.58 115.54 1y8b h ASN 403 Ca 0.24 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.01 1y8b h ASN 403 Cb 0.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.48 1y8b h ASN 403 CO -0.03 0.56 0.07 0.50 -1.65 0.00 0.00 177.43 176.89 1y8b h LYS 404 N 0.00 0.00 -0.44 0.81 3.64 -0.93 -0.30 116.57 119.35 1y8b h LYS 404 Ca -0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1y8b h LYS 404 Cb 1.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 1y8b h LYS 404 CO 0.07 0.00 -0.08 1.25 -2.27 0.00 0.00 179.45 178.42 1y8b h LEU 405 N 0.00 0.76 0.15 5.20 6.46 -1.43 -2.79 115.31 123.65 1y8b h LEU 405 Ca 0.04 -0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1y8b h LEU 405 Cb 0.18 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 39.91 1y8b h LEU 405 CO -0.00 0.88 -0.07 0.15 -0.62 0.00 0.00 178.44 178.78 1y8b h PHE 406 N 0.71 -0.18 -1.05 1.25 3.57 -1.19 -1.09 116.94 118.96 1y8b h PHE 406 Ca 0.12 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 61.91 1y8b h PHE 406 Cb 0.55 0.06 -0.12 0.00 2.79 0.00 0.00 35.95 39.24 1y8b h PHE 406 CO 0.03 0.27 0.64 1.79 -2.23 0.00 0.00 178.31 178.81 1y8b h THR 407 N -0.84 0.44 0.10 4.41 1.35 -1.45 0.63 112.91 117.55 1y8b h THR 407 Ca -0.02 -0.14 -0.30 0.00 -0.55 0.00 0.00 66.41 65.40 1y8b h THR 407 Cb 0.54 -0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 66.93 1y8b h THR 407 CO 0.03 0.08 -1.51 0.03 -0.25 0.00 0.00 175.52 173.90 1y8b h ARG 408 N 0.41 0.21 0.04 4.72 3.08 -1.51 -3.30 114.38 118.04 1y8b h ARG 408 Ca 0.67 -0.36 -0.22 0.00 0.07 0.00 0.00 59.98 60.13 1y8b h ARG 408 Cb 1.56 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 1y8b h ARG 408 CO -0.44 1.06 -1.02 0.97 -1.07 0.00 0.00 179.97 179.47 1y8b h ILE 409 N 0.06 1.56 -0.28 2.04 2.10 0.31 -3.09 117.51 120.19 1y8b h ILE 409 Ca -0.23 -2.97 -0.02 0.00 1.08 0.00 0.00 64.86 62.72 1y8b h ILE 409 Cb 2.00 2.72 -0.01 0.00 -1.09 0.00 0.00 36.82 40.43 1y8b h ILE 409 CO 0.15 0.86 0.10 1.05 -1.08 0.00 0.00 178.15 179.23 1y8b h GLU 410 N 0.07 0.43 0.00 2.19 4.11 0.04 0.60 114.58 122.02 1y8b h GLU 410 Ca -0.06 -0.09 -0.02 0.00 0.07 0.00 0.00 59.36 59.26 1y8b h GLU 410 Cb 1.72 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.90 1y8b h GLU 410 CO 0.15 0.47 -0.10 1.79 0.07 0.00 0.00 179.01 181.40 1y8b h THR 411 N 0.30 0.62 0.00 -1.06 1.35 -1.64 2.94 112.91 115.41 1y8b h THR 411 Ca 0.09 -0.42 -0.05 0.00 -0.55 0.00 0.00 66.41 65.49 1y8b h THR 411 Cb 0.22 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 1y8b h THR 411 CO -0.00 0.10 -0.44 -0.03 -0.25 0.00 0.00 175.52 174.89 1y8b h MET 412 N 0.00 0.00 -1.08 4.72 4.05 -1.26 -3.35 114.93 118.01 1y8b h MET 412 Ca -0.00 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.91 1y8b h MET 412 Cb 0.25 0.00 -0.25 0.00 -0.80 0.00 0.00 31.60 30.80 1y8b h MET 412 CO 0.01 0.36 0.66 1.28 0.23 0.00 0.00 176.91 179.45 1y8b n LEU 413 N -4.62 6.79 0.00 3.39 4.77 0.20 -4.76 117.00 122.77 1y8b n LEU 413 Ca -0.11 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.21 1y8b n LEU 413 Cb 0.31 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1y8b n LEU 413 CO 0.13 1.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 1y8b n GLY 414 N -0.71 -1.84 2.78 -0.72 0.00 0.30 -4.56 105.19 100.44 1y8b n GLY 414 Ca 0.52 0.63 -0.01 0.00 0.00 0.00 0.00 46.02 47.16 1y8b n GLY 414 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y8b n MET 415 N 0.00 -3.18 -3.01 1.61 1.56 0.96 -4.91 117.12 110.15 1y8b n MET 415 Ca 0.00 2.58 0.00 0.00 -0.27 0.00 0.00 57.70 60.01 1y8b n MET 415 Cb 0.00 -4.55 0.00 0.00 2.15 0.00 0.00 33.22 30.82 1y8b n MET 415 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1y8b n ALA 416 N 1.04 0.00 0.03 -5.12 0.00 -1.26 -4.98 120.51 110.22 1y8b n ALA 416 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1y8b n ALA 416 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1y8b n ALA 416 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1y8b n PRO 417 N -0.01 0.06 -1.16 0.00 -0.02 -1.26 -4.88 135.00 127.74 1y8b n PRO 417 Ca 0.00 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.61 1y8b n PRO 417 Cb 0.00 -1.47 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 1y8b n PRO 417 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y8b n ASN 418 N 1.29 -5.85 0.00 2.55 5.03 -1.26 -4.31 115.26 112.71 1y8b n ASN 418 Ca 0.00 0.78 0.00 0.00 0.87 0.00 0.00 54.58 56.23 1y8b n ASN 418 Cb 0.03 -3.75 0.00 0.00 -1.02 0.00 0.00 39.78 35.04 1y8b n ASN 418 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1y8b n THR 419 N -3.66 0.00 -1.68 3.41 5.66 -1.26 -4.62 114.28 112.13 1y8b n THR 419 Ca -0.04 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.54 1y8b n THR 419 Cb 0.60 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.34 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 0.00 4.06 -4.98 1.09 4.32 -1.26 -4.32 117.00 115.91 1y8b n LEU 420 Ca 0.00 0.96 -0.22 0.00 -0.02 0.00 0.00 56.01 56.72 1y8b n LEU 420 Cb 0.00 -1.53 0.07 0.00 -1.62 0.00 0.00 43.42 40.34 1y8b n LEU 420 CO 0.00 0.17 0.46 -0.54 -1.22 0.00 0.00 177.39 176.27 1y8b s LYS 421 N 3.42 2.12 -0.13 3.23 -0.14 0.50 -4.42 119.74 124.31 1y8b s LYS 421 Ca 0.85 -0.93 -0.10 0.00 -1.36 0.00 0.00 55.97 54.43 1y8b s LYS 421 Cb -0.47 -2.40 0.04 0.00 -1.68 0.00 0.00 37.83 33.31 1y8b s LYS 421 CO 0.40 -1.08 0.34 -1.64 -0.76 0.00 0.00 175.35 172.61 1y8b s MET 422 N -4.96 0.37 -0.68 1.68 -1.94 -1.15 -2.39 119.30 110.23 1y8b s MET 422 Ca 0.62 0.55 -0.16 0.00 -1.71 0.00 0.00 55.69 54.99 1y8b s MET 422 Cb -0.08 0.10 0.16 0.00 2.01 0.00 0.00 34.83 37.02 1y8b s MET 422 CO 0.41 -0.09 0.69 0.20 -0.01 0.00 0.00 175.02 176.23 1y8b s GLY 423 N 0.60 2.21 -0.25 -0.03 0.00 0.66 -2.24 107.32 108.28 1y8b s GLY 423 Ca -0.03 -2.77 -0.13 0.00 0.00 0.00 0.00 44.72 41.79 1y8b s GLY 423 CO -0.04 1.37 0.29 -0.42 0.00 0.00 0.00 173.10 174.30 1y8b s ILE 424 N 1.42 5.26 0.00 0.90 1.01 -1.26 -0.51 121.20 128.02 1y8b s ILE 424 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1y8b s ILE 424 Cb -0.20 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.65 1y8b s ILE 424 CO -0.02 0.25 0.00 0.23 0.00 0.00 0.00 174.94 175.41 1y8b n MET 425 N 4.76 0.00 -3.65 2.79 2.81 -1.26 -4.76 117.12 117.82 1y8b n MET 425 Ca -0.11 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.67 1y8b n MET 425 Cb 0.51 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.95 1y8b n MET 425 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1y8b s ASP 426 N 1.00 -0.77 -0.20 7.83 1.01 -1.26 -4.80 116.67 119.48 1y8b s ASP 426 Ca 0.00 1.36 -0.02 0.00 0.71 0.00 0.00 52.55 54.61 1y8b s ASP 426 Cb 0.00 1.32 -0.21 0.00 1.01 0.00 0.00 42.92 45.04 1y8b s ASP 426 CO 0.00 -0.23 0.01 1.21 0.21 0.00 0.00 175.17 176.36 1y8b n GLU 427 N 3.40 0.69 -3.53 8.23 2.13 -1.26 -4.90 120.64 125.41 1y8b n GLU 427 Ca -0.17 0.20 -0.21 0.00 0.66 0.00 0.00 57.16 57.64 1y8b n GLU 427 Cb 0.57 -1.59 -0.14 0.00 0.27 0.00 0.00 31.44 30.54 1y8b n GLU 427 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1y8b s GLU 428 N -2.53 0.15 0.00 5.31 0.41 -1.26 -4.47 118.70 116.31 1y8b s GLU 428 Ca -0.30 0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.36 1y8b s GLU 428 Cb 0.08 -1.40 0.00 0.00 -1.78 0.00 0.00 34.13 31.03 1y8b s GLU 428 CO 0.67 -0.67 0.00 0.54 -0.49 0.00 0.00 175.26 175.30 1y8b n ARG 429 N 5.31 0.00 0.00 1.61 5.12 -1.26 -5.00 116.66 122.44 1y8b n ARG 429 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 1y8b n ARG 429 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1y8b n ARG 429 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1y8b n ARG 430 N 0.00 0.00 0.00 5.56 5.12 -1.26 -4.94 116.66 121.14 1y8b n ARG 430 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1y8b n ARG 430 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 1y8b n ARG 430 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1y8b n THR 431 N 0.00 0.00 0.00 0.55 -2.24 -1.26 -4.94 114.28 106.38 1y8b n THR 431 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1y8b n THR 431 Cb 0.00 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 1y8b n THR 431 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1y8b n SER 432 N 0.00 0.00 0.33 3.42 3.41 -1.26 -5.02 113.62 114.51 1y8b n SER 432 Ca 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.44 1y8b n SER 432 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1y8b n SER 432 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1y8b h LEU 433 N 0.00 -0.71 -3.99 1.04 7.12 -1.94 -2.95 115.31 113.88 1y8b h LEU 433 Ca 0.00 -0.01 -0.55 0.00 0.13 0.00 0.00 57.88 57.45 1y8b h LEU 433 Cb 0.00 0.18 -0.22 0.00 -0.53 0.00 0.00 40.66 40.09 1y8b h LEU 433 CO 0.00 -0.44 0.69 0.59 -0.13 0.00 0.00 178.44 179.15 1y8b n ASN 434 N -5.41 7.15 0.37 1.25 4.13 -1.26 -4.67 115.26 116.82 1y8b n ASN 434 Ca -0.13 -3.49 -0.19 0.00 1.68 0.00 0.00 54.58 52.45 1y8b n ASN 434 Cb 0.35 -1.04 -0.10 0.00 -1.54 0.00 0.00 39.78 37.45 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 2.50 -1.25 -0.54 3.41 6.46 -1.92 0.78 115.31 124.75 1y8b h LEU 435 Ca 0.47 0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 58.29 1y8b h LEU 435 Cb 0.74 0.39 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 1y8b h LEU 435 CO 1.22 -0.70 0.25 0.03 -0.62 0.00 0.00 178.44 178.62 1y8b h ARG 436 N -1.10 0.78 0.91 1.25 3.08 -1.87 -0.96 114.38 116.47 1y8b h ARG 436 Ca -0.08 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1y8b h ARG 436 Cb 0.91 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.83 1y8b h ARG 436 CO 0.04 0.65 -0.43 0.77 -1.07 0.00 0.00 179.97 179.92 1y8b h SER 437 N 0.72 -1.03 -0.53 7.04 0.02 -1.84 1.06 113.55 119.00 1y8b h SER 437 Ca 0.18 0.04 0.15 0.00 -0.84 0.00 0.00 61.79 61.32 1y8b h SER 437 Cb 0.14 0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 1y8b h SER 437 CO -0.02 -0.72 0.47 0.00 -1.14 0.00 0.00 176.83 175.42 1y8b h ILE 439 N 0.00 1.53 0.00 0.00 1.08 -0.41 -3.27 117.51 116.44 1y8b h ILE 439 Ca 0.25 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.27 1y8b h ILE 439 Cb 1.20 3.18 0.00 0.00 -3.07 0.00 0.00 36.82 38.12 1y8b h ILE 439 CO -0.00 0.66 0.31 0.00 -0.69 0.00 0.00 178.15 178.43 1y8b n ALA 440 N -2.72 0.19 0.28 1.87 0.00 0.36 -1.72 120.51 118.77 1y8b n ALA 440 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1y8b n ALA 440 Cb 0.71 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1y8b n ALA 440 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y8b n GLN 441 N -0.96 0.28 0.00 0.00 6.02 -1.23 -3.98 117.38 117.52 1y8b n GLN 441 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1y8b n GLN 441 Cb 0.31 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1y8b n GLN 441 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y8b n ALA 442 N 0.55 0.79 -0.32 -1.58 0.00 -0.70 -3.34 120.51 115.91 1y8b n ALA 442 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1y8b n ALA 442 Cb 0.10 -0.61 0.34 0.00 0.00 0.00 0.00 19.45 19.28 1y8b n ALA 442 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1y8b h ARG 443 N 0.25 0.46 0.00 0.00 9.65 -1.88 -3.31 114.38 119.54 1y8b h ARG 443 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1y8b h ARG 443 Cb 0.00 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.48 1y8b h ARG 443 CO 0.00 0.30 0.00 0.09 2.80 0.00 0.00 179.97 183.16 1y8b n ASN 444 N -4.98 0.00 -1.37 -3.80 3.02 -1.21 -4.93 115.26 101.99 1y8b n ASN 444 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1y8b n ASN 444 Cb 0.69 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 1y8b n ASN 444 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1y8b n ARG 445 N 0.00 0.33 -3.83 3.52 0.00 -1.26 -4.69 116.66 110.74 1y8b n ARG 445 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.49 1y8b n ARG 445 Cb 0.00 -1.33 -0.13 0.00 -0.00 0.00 0.00 32.46 30.99 1y8b n ARG 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1y8b s VAL 446 N 0.96 3.71 -0.30 8.89 0.11 -1.26 -2.94 120.40 129.57 1y8b s VAL 446 Ca 0.00 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.45 1y8b s VAL 446 Cb 0.00 -2.82 0.14 0.00 -1.53 0.00 0.00 36.38 32.17 1y8b s VAL 446 CO 0.00 0.23 0.33 0.00 -3.33 0.00 0.00 175.10 172.33 1y8b s ALA 447 N 1.49 -0.61 -0.11 1.54 0.00 -0.95 -4.77 121.76 118.34 1y8b s ALA 447 Ca 0.04 -0.32 -0.19 0.00 0.00 0.00 0.00 51.96 51.49 1y8b s ALA 447 Cb -0.16 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.10 1y8b s ALA 447 CO 0.00 -1.79 0.47 -0.59 0.00 0.00 0.00 175.76 173.85 1y8b s PHE 448 N 2.24 -0.46 0.39 0.00 -0.12 -1.16 -3.59 117.98 115.29 1y8b s PHE 448 Ca 0.11 0.99 0.05 0.00 -0.05 0.00 0.00 56.93 58.03 1y8b s PHE 448 Cb -0.14 0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.43 1y8b s PHE 448 CO -0.28 -0.36 0.19 0.42 -0.05 0.00 0.00 175.22 175.15 1y8b s ILE 449 N -0.43 0.34 -0.25 -4.49 -1.09 -1.26 -4.88 121.20 109.14 1y8b s ILE 449 Ca -0.06 -2.00 -0.11 0.00 -2.23 0.00 0.00 60.65 56.25 1y8b s ILE 449 Cb -0.03 -2.36 -0.05 0.00 -1.58 0.00 0.00 42.46 38.44 1y8b s ILE 449 CO 0.03 0.00 0.19 0.21 -1.23 0.00 0.00 174.94 174.15 1y8b s ASN 450 N -3.54 6.13 0.00 3.58 3.84 -1.18 -4.96 114.94 118.81 1y8b s ASN 450 Ca 0.28 0.13 0.00 0.00 0.21 0.00 0.00 52.86 53.48 1y8b s ASN 450 Cb 0.02 -2.12 0.00 0.00 -0.55 0.00 0.00 41.25 38.59 1y8b s ASN 450 CO 0.19 0.02 0.00 1.07 -2.79 0.00 0.00 177.10 175.59 1y8b n THR 451 N 4.48 0.00 0.00 -5.21 5.66 -1.25 -1.12 114.28 116.84 1y8b n THR 451 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1y8b n THR 451 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1y8b n THR 451 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1y8b n GLY 452 N 0.00 0.00 3.42 1.09 0.00 0.39 -4.74 105.19 105.36 1y8b n GLY 452 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 1y8b n GLY 452 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y8b s PHE 453 N 0.00 3.17 0.00 1.61 5.36 -1.25 -4.84 117.98 122.03 1y8b s PHE 453 Ca 0.00 -1.37 0.00 0.00 -0.96 0.00 0.00 56.93 54.60 1y8b s PHE 453 Cb 0.00 -4.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.50 1y8b s PHE 453 CO 0.00 -1.40 0.00 1.28 -1.46 0.00 0.00 175.22 173.64 1y8b n LEU 454 N 6.21 0.00 -0.35 6.12 4.77 -1.26 -4.77 117.00 127.72 1y8b n LEU 454 Ca 0.16 0.00 0.24 0.00 -0.03 0.00 0.00 56.01 56.38 1y8b n LEU 454 Cb 0.48 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.05 1y8b n LEU 454 CO 0.50 0.00 1.18 -0.78 -1.33 0.00 0.00 177.39 176.95 1y8b h ASP 455 N 0.00 0.50 -0.43 -1.43 3.58 -1.98 1.07 116.42 117.73 1y8b h ASP 455 Ca 0.00 0.13 0.13 0.00 0.42 0.00 0.00 57.03 57.71 1y8b h ASP 455 Cb 0.00 0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 1y8b h ASP 455 CO 0.00 -0.01 0.63 0.03 -2.88 0.00 0.00 179.24 177.02 1y8b h ARG 456 N 0.38 0.00 -0.13 0.28 2.47 -1.89 0.24 114.38 115.73 1y8b h ARG 456 Ca 0.68 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 59.31 1y8b h ARG 456 Cb 1.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.94 1y8b h ARG 456 CO -0.44 0.00 -0.25 1.15 0.56 0.00 0.00 179.97 180.99 1y8b h THR 457 N 0.00 1.37 -0.86 2.04 2.02 0.90 -2.94 112.91 115.44 1y8b h THR 457 Ca 0.20 -1.51 0.25 0.00 0.77 0.00 0.00 66.41 66.12 1y8b h THR 457 Cb 1.47 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 69.87 1y8b h THR 457 CO -0.00 0.44 0.66 1.23 0.37 0.00 0.00 175.52 178.22 1y8b h GLY 458 N -0.00 0.00 1.35 2.16 0.00 -0.62 1.01 103.07 106.96 1y8b h GLY 458 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 1y8b h GLY 458 CO 0.06 0.00 -1.20 -0.55 0.00 0.00 0.00 176.54 174.85 1y8b h ASP 459 N 0.00 0.76 0.70 0.19 3.32 -1.52 -2.88 116.42 116.99 1y8b h ASP 459 Ca 0.41 -0.70 -0.26 0.00 0.02 0.00 0.00 57.03 56.50 1y8b h ASP 459 Cb 1.72 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 41.03 1y8b h ASP 459 CO -0.00 1.51 -1.21 -0.33 -1.72 0.00 0.00 179.24 177.48 1y8b h GLU 460 N 0.24 0.21 0.00 3.56 5.08 -0.35 -3.18 114.58 120.14 1y8b h GLU 460 Ca -0.16 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1y8b h GLU 460 Cb 1.87 0.13 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1y8b h GLU 460 CO 0.22 1.16 0.00 0.52 -1.00 0.00 0.00 179.01 179.91 1y8b h MET 461 N 0.06 0.00 0.00 2.33 2.86 0.76 -2.34 114.93 118.61 1y8b h MET 461 Ca -0.12 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1y8b h MET 461 Cb 1.93 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.59 1y8b h MET 461 CO 0.18 0.00 -0.06 0.45 1.06 0.00 0.00 176.91 178.55 1y8b h HIS 462 N 0.00 0.00 -0.83 -0.22 3.86 -1.48 0.11 115.15 116.59 1y8b h HIS 462 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1y8b h HIS 462 Cb 0.44 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 1y8b h HIS 462 CO 0.00 0.06 0.49 0.77 0.86 0.00 0.00 177.93 180.11 1y8b h SER 463 N 0.00 0.99 -0.05 2.45 0.02 -1.59 -3.10 113.55 112.27 1y8b h SER 463 Ca -0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1y8b h SER 463 Cb 0.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1y8b h SER 463 CO 0.01 0.76 0.00 1.33 -1.14 0.00 0.00 176.83 177.79 1y8b n VAL 464 N -4.37 0.29 0.16 2.27 0.24 -0.96 -3.32 118.33 112.64 1y8b n VAL 464 Ca 0.09 -0.65 0.02 0.00 -2.04 0.00 0.00 64.34 61.76 1y8b n VAL 464 Cb 0.07 0.93 0.10 0.00 -1.47 0.00 0.00 33.84 33.46 1y8b n VAL 464 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1y8b n MET 465 N 0.18 0.01 0.33 7.34 0.00 0.33 -2.31 117.12 123.00 1y8b n MET 465 Ca 0.04 0.40 0.16 0.00 0.00 0.00 0.00 57.70 58.30 1y8b n MET 465 Cb 0.18 -1.50 0.84 0.00 0.00 0.00 0.00 33.22 32.75 1y8b n MET 465 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1y8b h GLU 466 N 0.00 0.00 0.00 2.12 4.39 -1.80 -3.27 114.58 116.02 1y8b h GLU 466 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y8b h GLU 466 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1y8b h GLU 466 CO 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1y8b n ALA 467 N -1.92 1.54 -1.21 3.43 0.00 -0.98 -5.06 120.51 116.33 1y8b n ALA 467 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1y8b n ALA 467 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 1y8b n ALA 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y8b n GLY 468 N 2.53 0.68 3.88 0.00 0.00 -1.24 -5.06 105.19 105.99 1y8b n GLY 468 Ca -0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1y8b n GLY 468 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1y8b s PRO 469 N -2.56 2.01 0.29 1.61 0.04 -1.26 -4.97 135.00 130.17 1y8b s PRO 469 Ca 0.00 0.21 -0.02 0.00 0.04 0.00 0.00 61.00 61.23 1y8b s PRO 469 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1y8b s PRO 469 CO 0.00 -1.58 0.52 0.00 0.04 0.00 0.00 177.00 175.98 1y8b s MET 470 N -5.49 3.55 0.00 4.56 0.23 -1.26 -3.98 119.30 116.91 1y8b s MET 470 Ca 0.62 -0.19 0.12 0.00 -1.03 0.00 0.00 55.69 55.20 1y8b s MET 470 Cb -0.12 -2.69 -0.00 0.00 -1.53 0.00 0.00 34.83 30.49 1y8b s MET 470 CO 0.50 0.23 0.70 -0.11 -2.03 0.00 0.00 175.02 174.30 1y8b n LEU 471 N -1.20 1.33 -0.35 0.18 0.00 1.05 -4.62 117.00 113.39 1y8b n LEU 471 Ca -0.03 -0.76 0.09 0.00 0.00 0.00 0.00 56.01 55.30 1y8b n LEU 471 Cb 0.55 0.00 0.19 0.00 0.00 0.00 0.00 43.42 44.16 1y8b n LEU 471 CO 0.48 0.26 0.70 -1.14 0.00 0.00 0.00 177.39 177.70 1y8b n ARG 472 N -0.22 -0.09 0.32 1.96 0.63 -1.26 0.20 116.66 118.20 1y8b n ARG 472 Ca 0.05 1.53 0.01 0.00 -0.92 0.00 0.00 57.85 58.52 1y8b n ARG 472 Cb 0.25 -2.34 0.04 0.00 0.45 0.00 0.00 32.46 30.86 1y8b n ARG 472 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1y8b h LYS 473 N 0.00 0.00 -0.00 -0.14 3.64 -1.97 0.23 116.57 118.33 1y8b h LYS 473 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 1y8b h LYS 473 Cb 0.89 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1y8b h LYS 473 CO -1.00 0.00 0.51 -0.97 -2.27 0.00 0.00 179.45 175.72 1y8b h ASN 474 N 0.00 0.00 1.43 4.20 -1.24 0.20 1.33 115.58 121.50 1y8b h ASN 474 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1y8b h ASN 474 Cb 1.96 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.01 1y8b h ASN 474 CO -0.00 0.00 -0.02 1.56 -1.29 0.00 0.00 177.43 177.68 1y8b h GLN 475 N 0.00 0.00 0.00 6.67 7.50 -0.77 0.65 115.11 129.17 1y8b h GLN 475 Ca 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 1y8b h GLN 475 Cb 1.02 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 28.53 1y8b h GLN 475 CO -0.00 0.02 -0.67 1.98 -1.50 0.00 0.00 178.83 178.66 1y8b h MET 476 N 0.00 0.00 -0.30 1.46 4.05 0.15 -3.36 114.93 116.93 1y8b h MET 476 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1y8b h MET 476 Cb 0.74 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.54 1y8b h MET 476 CO 0.00 0.90 0.00 1.63 0.23 0.00 0.00 176.91 179.68 1y8b n LYS 477 N -4.53 2.26 -3.16 0.39 4.76 -1.16 -5.01 118.16 111.71 1y8b n LYS 477 Ca -0.21 -1.90 -0.10 0.00 -2.87 0.00 0.00 58.31 53.23 1y8b n LYS 477 Cb 0.55 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 32.28 1y8b n LYS 477 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1y8b n SER 478 N 1.13 -6.66 -4.58 4.39 7.64 0.23 -4.62 113.62 111.15 1y8b n SER 478 Ca 0.18 0.45 -0.41 0.00 1.01 0.00 0.00 58.87 60.10 1y8b n SER 478 Cb 0.52 -2.50 -0.03 0.00 -1.01 0.00 0.00 64.21 61.19 1y8b n SER 478 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1y8b n THR 479 N 0.72 0.20 0.20 0.44 -1.04 -1.16 -4.81 114.28 108.83 1y8b n THR 479 Ca -0.01 -0.57 0.08 0.00 -2.04 0.00 0.00 64.05 61.51 1y8b n THR 479 Cb 0.46 -2.64 0.25 0.00 -1.82 0.00 0.00 70.33 66.58 1y8b n THR 479 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 1y8b h PRO 480 N 16.57 0.00 -0.26 -2.82 0.13 -1.95 -3.34 132.00 140.32 1y8b h PRO 480 Ca -0.35 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.84 1y8b h PRO 480 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 1y8b h PRO 480 CO 1.03 0.25 -0.38 -1.49 -0.23 0.00 0.00 178.00 177.17 1y8b h TRP 481 N 0.00 -1.09 -0.18 1.56 -0.00 -1.92 0.65 115.95 114.98 1y8b h TRP 481 Ca -0.00 0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.97 1y8b h TRP 481 Cb 1.02 0.51 -0.06 0.00 -0.00 0.00 0.00 29.16 30.63 1y8b h TRP 481 CO 0.00 -0.43 -0.44 0.82 -0.00 0.00 0.00 178.44 178.38 1y8b h ILE 482 N -0.38 0.00 0.00 1.49 2.04 -1.96 2.85 117.51 121.55 1y8b h ILE 482 Ca 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.95 1y8b h ILE 482 Cb 0.58 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1y8b h ILE 482 CO -0.46 0.00 -0.13 0.07 0.00 0.00 0.00 178.15 177.62 1y8b h LYS 483 N -0.42 0.00 0.00 2.37 2.10 -1.70 -2.70 116.57 116.22 1y8b h LYS 483 Ca 0.04 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.65 1y8b h LYS 483 Cb 0.53 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.85 1y8b h LYS 483 CO -0.40 0.13 -0.36 0.00 -2.00 0.00 0.00 179.45 176.82 1y8b h ALA 484 N 1.87 0.04 -0.11 0.07 0.00 0.27 -3.29 119.26 118.10 1y8b h ALA 484 Ca -0.00 -0.44 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1y8b h ALA 484 Cb 0.32 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1y8b h ALA 484 CO 0.02 0.28 -0.40 -0.92 0.00 0.00 0.00 179.25 178.22 1y8b h TYR 485 N -1.00 -1.20 -1.40 0.00 3.20 0.49 0.54 116.97 117.60 1y8b h TYR 485 Ca -0.06 0.05 0.41 0.00 3.14 0.00 0.00 58.73 62.27 1y8b h TYR 485 Cb 0.54 0.54 -0.08 0.00 1.54 0.00 0.00 36.73 39.26 1y8b h TYR 485 CO -0.01 -0.40 0.98 0.93 -1.64 0.00 0.00 178.16 178.01 1y8b h GLU 486 N -0.43 0.07 0.16 1.82 5.08 -1.63 0.13 114.58 119.78 1y8b h GLU 486 Ca 0.02 -0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 1y8b h GLU 486 Cb 0.50 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1y8b h GLU 486 CO -0.33 0.05 -1.44 -0.09 -1.00 0.00 0.00 179.01 176.20 1y8b h ARG 487 N 0.07 0.34 -0.53 2.33 2.43 -0.64 -3.38 114.38 115.01 1y8b h ARG 487 Ca 0.72 -0.58 0.07 0.00 -0.81 0.00 0.00 59.98 59.38 1y8b h ARG 487 Cb 2.62 0.22 -0.10 0.00 -0.42 0.00 0.00 29.97 32.29 1y8b h ARG 487 CO -0.14 1.28 -0.50 -0.97 -1.51 0.00 0.00 179.97 178.13 1y8b h ASN 488 N -0.13 -1.70 -0.57 -3.80 -1.24 0.27 0.80 115.58 109.21 1y8b h ASN 488 Ca -0.29 0.25 0.17 0.00 0.71 0.00 0.00 56.30 57.14 1y8b h ASN 488 Cb 1.90 0.73 -0.02 0.00 0.73 0.00 0.00 38.32 41.67 1y8b h ASN 488 CO 0.14 -0.36 0.64 -0.55 -1.29 0.00 0.00 177.43 176.01 1y8b h ASN 489 N -0.29 0.00 0.02 1.15 -1.07 -1.72 0.27 115.58 113.95 1y8b h ASN 489 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.50 1y8b h ASN 489 Cb 0.57 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1y8b h ASN 489 CO -0.66 0.00 -0.01 0.58 0.07 0.00 0.00 177.43 177.41 1y8b h VAL 490 N 0.00 1.47 0.00 6.14 2.07 0.44 -2.96 116.25 123.40 1y8b h VAL 490 Ca 0.27 -1.79 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1y8b h VAL 490 Cb 1.55 2.62 -0.00 0.00 -1.52 0.00 0.00 31.29 33.94 1y8b h VAL 490 CO -0.00 0.44 -0.28 -0.07 0.02 0.00 0.00 177.57 177.67 1y8b h LEU 491 N -0.84 0.00 0.00 2.57 4.07 -0.80 -2.62 115.31 117.69 1y8b h LEU 491 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1y8b h LEU 491 Cb 0.75 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1y8b h LEU 491 CO 0.00 0.04 -0.32 0.28 -1.08 0.00 0.00 178.44 177.36 1y8b h SER 492 N 0.00 0.00 -0.15 -0.43 0.02 -0.63 -3.41 113.55 108.95 1y8b h SER 492 Ca -0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 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 0.98 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1y8b n GLY 493 N 1.61 0.93 0.09 -3.77 0.00 -1.12 -3.43 105.19 99.51 1y8b n GLY 493 Ca -0.12 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 1y8b n GLY 493 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1y8b h LEU 494 N 2.16 0.00 0.00 0.99 6.46 -1.49 -3.20 115.31 120.23 1y8b h LEU 494 Ca 0.00 -0.42 0.00 0.00 -0.12 0.00 0.00 57.88 57.34 1y8b h LEU 494 Cb 0.58 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1y8b h LEU 494 CO 0.00 1.28 0.00 0.33 -0.62 0.00 0.00 178.44 179.43 1y8b n PHE 495 N -4.49 0.00 -0.02 1.25 7.35 -1.25 -4.35 117.46 115.95 1y8b n PHE 495 Ca -0.25 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.44 1y8b n PHE 495 Cb 0.57 -0.46 -0.05 0.00 0.35 0.00 0.00 39.48 39.89 1y8b n PHE 495 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1y8b h GLY 497 N 1.32 0.98 1.27 0.00 0.00 -1.77 -0.09 103.07 104.78 1y8b h GLY 497 Ca -0.10 0.10 -0.28 0.00 0.00 0.00 0.00 47.33 47.06 1y8b h GLY 497 CO 0.01 -0.34 -1.51 -2.00 0.00 0.00 0.00 176.54 172.70 1y8b h LEU 498 N 0.10 0.13 0.00 3.11 7.12 -1.75 -3.36 115.31 120.66 1y8b h LEU 498 Ca 0.46 -0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.27 1y8b h LEU 498 Cb 0.86 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1y8b h LEU 498 CO -0.71 1.18 0.00 -1.14 -0.13 0.00 0.00 178.44 177.63 1y8b n ARG 499 N -3.26 0.00 0.00 1.25 0.63 -0.05 -1.78 116.66 113.45 1y8b n ARG 499 Ca -0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.79 1y8b n ARG 499 Cb 1.02 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.93 1y8b n ARG 499 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1y8b n GLY 500 N 0.00 0.31 2.97 5.14 0.00 -0.97 -4.64 105.19 108.00 1y8b n GLY 500 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1y8b n GLY 500 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y8b s LYS 501 N 0.00 1.39 0.01 1.61 -0.14 -1.26 -4.78 119.74 116.56 1y8b s LYS 501 Ca 0.00 -0.30 -0.21 0.00 -1.36 0.00 0.00 55.97 54.10 1y8b s LYS 501 Cb 0.00 -1.21 0.04 0.00 -1.68 0.00 0.00 37.83 34.99 1y8b s LYS 501 CO 0.00 -0.02 0.48 0.00 -0.76 0.00 0.00 175.35 175.05 1y8b s ALA 502 N 0.77 -1.21 -0.33 5.17 0.00 -1.26 -4.82 121.76 120.08 1y8b s ALA 502 Ca -0.13 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 1y8b s ALA 502 Cb -0.15 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1y8b s ALA 502 CO 0.02 -0.41 0.48 -0.65 0.00 0.00 0.00 175.76 175.21 1y8b s GLN 503 N -1.94 3.73 -0.34 0.00 -0.21 -1.26 -4.98 119.66 114.67 1y8b s GLN 503 Ca -0.08 -0.08 0.00 0.00 0.02 0.00 0.00 55.36 55.21 1y8b s GLN 503 Cb -0.02 -3.77 0.08 0.00 1.00 0.00 0.00 33.01 30.31 1y8b s GLN 503 CO 0.02 -0.55 0.06 0.42 -2.12 0.00 0.00 175.29 173.13 1y8b s ILE 504 N 2.31 2.78 0.00 1.08 1.09 -1.26 -3.10 121.20 124.10 1y8b s ILE 504 Ca 0.18 -1.89 0.00 0.00 -1.10 0.00 0.00 60.65 57.84 1y8b s ILE 504 Cb -0.16 -2.82 0.00 0.00 -1.06 0.00 0.00 42.46 38.42 1y8b s ILE 504 CO 0.12 -0.41 0.00 0.61 -0.10 0.00 0.00 174.94 175.16 1y8b n GLY 505 N 4.49 4.07 0.00 6.18 0.00 -0.28 -0.38 105.19 119.27 1y8b n GLY 505 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.91 1y8b n GLY 505 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y8b n LYS 506 N 0.00 0.00 0.00 1.61 5.02 -1.22 -3.82 118.16 119.75 1y8b n LYS 506 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1y8b n LYS 506 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1y8b n LYS 506 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y8b n GLY 507 N 0.24 3.61 2.63 0.72 0.00 -1.26 0.15 105.19 111.28 1y8b n GLY 507 Ca 0.00 -0.47 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 1y8b n GLY 507 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1y8b s MET 508 N 2.43 0.07 -0.42 1.61 1.75 -1.26 -3.17 119.30 120.31 1y8b s MET 508 Ca 0.00 -0.01 0.03 0.00 -1.25 0.00 0.00 55.69 54.46 1y8b s MET 508 Cb 0.00 -1.60 0.11 0.00 2.84 0.00 0.00 34.83 36.19 1y8b s MET 508 CO 0.00 -0.60 0.15 -1.58 -0.65 0.00 0.00 175.02 172.33 1y8b s TRP 509 N 2.13 3.54 -0.52 4.11 0.52 -1.26 -4.98 118.94 122.48 1y8b s TRP 509 Ca 0.02 -3.03 0.07 0.00 0.02 0.00 0.00 56.10 53.18 1y8b s TRP 509 Cb -0.15 -2.92 0.19 0.00 -1.15 0.00 0.00 33.47 29.44 1y8b s TRP 509 CO -0.08 -0.87 0.72 0.00 0.02 0.00 0.00 176.95 176.74 1y8b s ALA 510 N 0.46 -2.10 -0.34 0.98 0.00 -1.26 -4.67 121.76 114.83 1y8b s ALA 510 Ca 0.13 -0.42 0.09 0.00 0.00 0.00 0.00 51.96 51.77 1y8b s ALA 510 Cb -0.22 -2.71 0.45 0.00 0.00 0.00 0.00 23.12 20.64 1y8b s ALA 510 CO -0.05 -2.24 1.13 -0.12 0.00 0.00 0.00 175.76 174.49 1y8b n MET 511 N 2.98 3.12 0.08 0.00 0.00 -1.26 -4.85 117.12 117.18 1y8b n MET 511 Ca 0.18 -4.13 -0.11 0.00 0.00 0.00 0.00 57.70 53.65 1y8b n MET 511 Cb 0.56 -2.10 -0.07 0.00 0.00 0.00 0.00 33.22 31.61 1y8b n MET 511 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1y8b h PRO 512 N 2.44 -0.27 0.00 2.12 0.13 -1.96 -3.49 132.00 130.97 1y8b h PRO 512 Ca 0.25 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.39 1y8b h PRO 512 Cb 1.27 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1y8b h PRO 512 CO 0.70 0.11 0.00 -3.47 -0.23 0.00 0.00 178.00 175.11 1y8b n ASP 513 N -4.97 0.00 -4.78 1.44 2.03 -1.26 -5.12 116.55 103.88 1y8b n ASP 513 Ca -0.08 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 54.99 1y8b n ASP 513 Cb 0.26 0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.64 1y8b n ASP 513 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1y8b s LEU 514 N -1.93 3.09 0.31 -2.67 1.43 -1.26 -5.02 118.68 112.64 1y8b s LEU 514 Ca 0.00 -1.06 0.02 0.00 -1.03 0.00 0.00 54.13 52.06 1y8b s LEU 514 Cb 0.00 -1.50 0.52 0.00 0.03 0.00 0.00 46.19 45.24 1y8b s LEU 514 CO 0.00 -0.64 1.87 0.24 0.23 0.00 0.00 176.35 178.05 1y8b h MET 515 N 1.27 0.70 -0.89 1.70 2.86 -1.94 -2.34 114.93 116.29 1y8b h MET 515 Ca -0.42 -0.13 0.11 0.00 -2.06 0.00 0.00 59.70 57.21 1y8b h MET 515 Cb 1.26 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.73 1y8b h MET 515 CO 0.66 0.64 0.52 0.00 1.06 0.00 0.00 176.91 179.79 1y8b h ALA 516 N 1.45 1.31 -0.64 6.32 0.00 -1.93 -1.13 119.26 124.64 1y8b h ALA 516 Ca 0.15 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1y8b h ALA 516 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1y8b h ALA 516 CO -0.00 0.10 0.06 -0.44 0.00 0.00 0.00 179.25 178.97 1y8b h ASP 517 N 0.82 1.05 -0.89 0.00 5.19 -1.81 -2.89 116.42 117.88 1y8b h ASP 517 Ca 0.44 -0.28 0.24 0.00 -0.62 0.00 0.00 57.03 56.82 1y8b h ASP 517 Cb 0.47 -0.28 -0.14 0.00 0.18 0.00 0.00 39.33 39.56 1y8b h ASP 517 CO -0.28 1.07 0.29 -0.03 -3.12 0.00 0.00 179.24 177.17 1y8b h MET 518 N 0.99 0.23 -0.57 3.56 4.05 -1.08 1.07 114.93 123.18 1y8b h MET 518 Ca 0.19 -0.01 0.17 0.00 -0.28 0.00 0.00 59.70 59.76 1y8b h MET 518 Cb 0.49 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.22 1y8b h MET 518 CO 0.02 0.15 0.80 -0.92 0.23 0.00 0.00 176.91 177.20 1y8b h TYR 519 N 0.24 0.00 0.00 1.39 3.20 -1.47 1.26 116.97 121.59 1y8b h TYR 519 Ca 0.57 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 62.30 1y8b h TYR 519 Cb 1.16 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.41 1y8b h TYR 519 CO -0.23 0.00 -1.40 0.45 -1.64 0.00 0.00 178.16 175.35 1y8b n SER 520 N -3.30 0.80 -0.03 -2.11 2.88 0.37 -2.69 113.62 109.54 1y8b n SER 520 Ca 0.12 0.35 -0.21 0.00 -1.33 0.00 0.00 58.87 57.79 1y8b n SER 520 Cb 1.00 0.29 -0.13 0.00 -0.75 0.00 0.00 64.21 64.62 1y8b n SER 520 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1y8b h GLN 521 N 0.00 0.16 0.00 -1.46 4.15 0.16 -3.37 115.11 114.75 1y8b h GLN 521 Ca -0.14 -0.28 -0.13 0.00 0.77 0.00 0.00 58.65 58.87 1y8b h GLN 521 Cb 1.49 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 1y8b h GLN 521 CO 0.04 1.13 -0.61 -0.22 -1.93 0.00 0.00 178.83 177.24 1y8b h LYS 522 N -0.46 0.00 -0.61 1.69 3.64 -1.03 -3.05 116.57 116.75 1y8b h LYS 522 Ca -0.34 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.16 1y8b h LYS 522 Cb 1.65 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.39 1y8b h LYS 522 CO -0.02 0.61 0.14 0.78 -2.27 0.00 0.00 179.45 178.69 1y8b h GLY 523 N 3.12 0.80 1.73 5.01 0.00 -1.65 -1.46 103.07 110.62 1y8b h GLY 523 Ca -0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1y8b h GLY 523 CO 0.08 -0.11 -0.92 -0.55 0.00 0.00 0.00 176.54 175.04 1y8b h ASP 524 N 0.28 0.00 -1.17 0.19 5.19 -1.72 -3.33 116.42 115.87 1y8b h ASP 524 Ca 0.32 0.00 0.38 0.00 -0.62 0.00 0.00 57.03 57.12 1y8b h ASP 524 Cb 0.48 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 39.85 1y8b h ASP 524 CO -0.40 0.71 0.72 -0.61 -3.12 0.00 0.00 179.24 176.54 1y8b h GLN 525 N 0.00 0.17 0.00 3.56 5.75 -1.15 1.67 115.11 125.11 1y8b h GLN 525 Ca -0.06 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1y8b h GLN 525 Cb 1.59 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.10 1y8b h GLN 525 CO 0.08 0.11 -0.11 1.25 -2.65 0.00 0.00 178.83 177.51 1y8b h LEU 526 N 0.17 0.00 -2.28 -2.39 5.85 -1.66 -1.53 115.31 113.48 1y8b h LEU 526 Ca 0.77 0.00 0.01 0.00 0.84 0.00 0.00 57.88 59.50 1y8b h LEU 526 Cb 2.18 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.21 1y8b h LEU 526 CO -0.49 0.11 0.02 0.03 -0.34 0.00 0.00 178.44 177.77 1y8b h ARG 527 N 0.00 0.00 0.00 1.25 3.08 0.23 0.23 114.38 119.17 1y8b h ARG 527 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1y8b h ARG 527 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1y8b h ARG 527 CO 0.01 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.91 1y8b n ALA 528 N -2.41 2.37 -0.54 0.04 0.00 -0.58 -4.90 120.51 114.50 1y8b n ALA 528 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1y8b n ALA 528 Cb 0.11 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.16 0.71 3.61 0.00 0.00 0.81 -4.79 105.19 106.70 1y8b n GLY 529 Ca 0.12 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.36 3.18 0.00 4.61 0.00 -1.23 -4.69 121.76 121.27 1y8b s ALA 530 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.15 1y8b s ALA 530 Cb 0.00 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1y8b s ALA 530 CO 0.00 0.41 0.00 0.09 0.00 0.00 0.00 175.76 176.26 1y8b n ASN 531 N 2.79 0.00 -4.95 0.00 3.02 0.49 -4.79 115.26 111.82 1y8b n ASN 531 Ca -0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.13 1y8b n ASN 531 Cb 0.53 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1y8b n ASN 531 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1y8b s THR 532 N -0.17 5.28 0.01 3.41 -4.23 -1.26 -4.59 115.64 114.10 1y8b s THR 532 Ca 0.00 -0.78 -0.15 0.00 -1.18 0.00 0.00 61.69 59.57 1y8b s THR 532 Cb 0.00 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.07 1y8b s THR 532 CO 0.00 -0.21 0.33 0.00 -0.54 0.00 0.00 174.62 174.20 1y8b s ALA 533 N -1.87 -0.81 0.57 3.99 0.00 -1.26 -3.46 121.76 118.93 1y8b s ALA 533 Ca 0.35 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 1y8b s ALA 533 Cb -0.10 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1y8b s ALA 533 CO 0.29 -0.35 1.06 -0.46 0.00 0.00 0.00 175.76 176.30 1y8b s TRP 534 N -1.96 2.94 0.02 0.00 -0.00 -1.19 -0.16 118.94 118.59 1y8b s TRP 534 Ca -0.09 1.53 0.01 0.00 -0.00 0.00 0.00 56.10 57.55 1y8b s TRP 534 Cb -0.03 -3.06 -0.01 0.00 -0.00 0.00 0.00 33.47 30.38 1y8b s TRP 534 CO 0.01 -1.13 -0.04 0.14 -0.00 0.00 0.00 176.95 175.93 1y8b s VAL 535 N -2.28 0.26 0.12 5.86 -7.23 -0.61 -4.47 120.40 112.05 1y8b s VAL 535 Ca 0.65 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 60.27 1y8b s VAL 535 Cb -0.17 -0.31 -0.22 0.00 0.56 0.00 0.00 36.38 36.25 1y8b s VAL 535 CO 0.32 -0.21 1.26 1.55 -0.31 0.00 0.00 175.10 177.71 1y8b h PRO 536 N 5.27 0.14 -2.99 4.82 0.13 -1.97 -3.38 132.00 134.02 1y8b h PRO 536 Ca -0.30 -0.21 0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1y8b h PRO 536 Cb 1.20 0.07 -0.09 0.00 0.13 0.00 0.00 31.00 32.31 1y8b h PRO 536 CO 0.45 1.05 0.22 -1.12 -0.23 0.00 0.00 178.00 178.38 1y8b s SER 537 N -6.91 -0.45 0.65 1.44 0.01 -1.26 -4.88 113.70 102.30 1y8b s SER 537 Ca -0.02 -0.23 0.42 0.00 1.31 0.00 0.00 55.95 57.43 1y8b s SER 537 Cb 0.09 0.65 2.29 0.00 0.21 0.00 0.00 66.02 69.25 1y8b s SER 537 CO 0.84 -1.11 2.33 1.55 0.41 0.00 0.00 173.24 177.26 1y8b h PRO 538 N 2.00 0.00 0.04 12.44 0.13 -1.93 -1.90 132.00 142.79 1y8b h PRO 538 Ca -0.28 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.57 1y8b h PRO 538 Cb 1.29 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.44 1y8b h PRO 538 CO 0.32 0.00 -1.11 1.15 -0.23 0.00 0.00 178.00 178.13 1y8b h THR 539 N 0.00 1.29 -0.12 1.56 2.02 -1.95 -3.22 112.91 112.49 1y8b h THR 539 Ca -0.00 -2.35 -0.12 0.00 0.77 0.00 0.00 66.41 64.71 1y8b h THR 539 Cb 0.05 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.96 1y8b h THR 539 CO 0.00 0.72 -0.38 0.00 0.37 0.00 0.00 175.52 176.23 1y8b h ALA 540 N 0.40 0.21 -0.95 6.16 0.00 -1.73 -3.14 119.26 120.21 1y8b h ALA 540 Ca -0.15 -0.45 0.28 0.00 0.00 0.00 0.00 54.91 54.59 1y8b h ALA 540 Cb 1.77 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.39 1y8b h ALA 540 CO 0.21 0.30 0.42 0.00 0.00 0.00 0.00 179.25 180.19 1y8b h ALA 541 N 0.51 1.64 -0.64 0.00 0.00 -1.47 0.52 119.26 119.82 1y8b h ALA 541 Ca -0.01 0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.21 1y8b h ALA 541 Cb 1.00 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1y8b h ALA 541 CO 0.08 -0.50 0.22 1.15 0.00 0.00 0.00 179.25 180.21 1y8b h THR 542 N 0.30 0.71 -0.13 0.00 2.02 -1.55 0.34 112.91 114.60 1y8b h THR 542 Ca 0.65 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.69 1y8b h THR 542 Cb 1.38 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1y8b h THR 542 CO -0.62 0.07 0.06 -0.07 0.37 0.00 0.00 175.52 175.33 1y8b h LEU 543 N 0.38 0.15 0.03 2.58 3.38 -0.06 -1.72 115.31 120.04 1y8b h LEU 543 Ca 0.34 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1y8b h LEU 543 Cb 0.46 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.18 1y8b h LEU 543 CO -0.36 0.14 -0.37 -0.74 0.09 0.00 0.00 178.44 177.20 1y8b h HIS 544 N 0.18 0.32 0.32 1.13 2.76 -0.16 -2.91 115.15 116.78 1y8b h HIS 544 Ca 0.05 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 58.03 1y8b h HIS 544 Cb 0.03 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 1y8b h HIS 544 CO 0.00 1.05 -0.39 0.00 -1.30 0.00 0.00 177.93 177.28 1y8b h ALA 545 N 0.20 -0.81 -0.80 5.26 0.00 -0.30 0.17 119.26 122.97 1y8b h ALA 545 Ca -0.05 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 54.90 1y8b h ALA 545 Cb 1.17 0.59 -0.11 0.00 0.00 0.00 0.00 17.79 19.44 1y8b h ALA 545 CO 0.07 -1.00 0.32 -0.07 0.00 0.00 0.00 179.25 178.57 1y8b h LEU 546 N -0.76 0.27 -0.91 0.00 3.38 -1.45 0.35 115.31 116.19 1y8b h LEU 546 Ca -0.02 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1y8b h LEU 546 Cb 0.70 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1y8b h LEU 546 CO -0.11 0.06 0.35 -0.74 0.09 0.00 0.00 178.44 178.10 1y8b h HIS 547 N 0.42 1.15 0.00 1.13 2.76 -1.12 -1.16 115.15 118.33 1y8b h HIS 547 Ca 0.46 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.55 1y8b h HIS 547 Cb 0.76 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 29.36 1y8b h HIS 547 CO -0.17 0.84 -0.07 -0.92 -1.30 0.00 0.00 177.93 176.32 1y8b h TYR 548 N 1.12 0.00 -0.08 5.26 5.03 0.25 -2.96 116.97 125.60 1y8b h TYR 548 Ca 0.27 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.40 1y8b h TYR 548 Cb 0.15 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.44 1y8b h TYR 548 CO 0.02 0.07 -0.64 0.45 -1.32 0.00 0.00 178.16 176.74 1y8b h HIS 549 N 0.00 0.80 -0.85 -3.82 3.86 0.31 -3.18 115.15 112.27 1y8b h HIS 549 Ca -0.00 -0.38 0.12 0.00 -1.16 0.00 0.00 60.37 58.95 1y8b h HIS 549 Cb 0.50 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 1y8b h HIS 549 CO 0.00 1.18 0.55 1.96 0.86 0.00 0.00 177.93 182.48 1y8b h GLN 550 N 0.20 0.72 -3.64 2.45 4.20 -1.31 -3.42 115.11 114.30 1y8b h GLN 550 Ca -0.06 -0.04 -0.17 0.00 0.06 0.00 0.00 58.65 58.44 1y8b h GLN 550 Cb 1.29 -0.16 -0.23 0.00 0.30 0.00 0.00 27.48 28.68 1y8b h GLN 550 CO 0.13 0.47 -0.59 0.99 -0.67 0.00 0.00 178.83 179.16 1y8b s THR 551 N -5.70 0.06 -0.14 -0.54 2.01 -1.20 -5.06 115.64 105.08 1y8b s THR 551 Ca -0.10 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1y8b s THR 551 Cb 0.21 -0.28 0.04 0.00 0.01 0.00 0.00 72.50 72.48 1y8b s THR 551 CO 0.79 -0.28 -0.01 0.21 -0.69 0.00 0.00 174.62 174.64 1y8b s ASN 552 N -0.91 2.38 0.31 3.53 3.04 -1.26 -4.56 114.94 117.48 1y8b s ASN 552 Ca -0.10 -0.49 0.23 0.00 0.04 0.00 0.00 52.86 52.54 1y8b s ASN 552 Cb -0.06 -0.64 1.15 0.00 -1.54 0.00 0.00 41.25 40.16 1y8b s ASN 552 CO 0.00 -0.22 1.69 1.33 -3.04 0.00 0.00 177.10 176.86 1y8b n VAL 553 N 5.03 0.96 -0.37 -5.21 0.24 -1.26 -2.76 118.33 114.95 1y8b n VAL 553 Ca -0.09 0.59 0.29 0.00 -2.04 0.00 0.00 64.34 63.08 1y8b n VAL 553 Cb 0.48 -1.57 0.55 0.00 -1.47 0.00 0.00 33.84 31.84 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 0.24 0.08 7.34 1.08 -1.95 0.54 115.11 122.44 1y8b h GLN 554 Ca 0.00 -0.01 -0.26 0.00 -1.45 0.00 0.00 58.65 56.92 1y8b h GLN 554 Cb 0.11 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 1y8b h GLN 554 CO 0.00 0.16 -1.38 1.03 -0.95 0.00 0.00 178.83 177.69 1y8b h SER 555 N 0.25 0.27 -0.64 1.46 0.87 -1.97 -3.37 113.55 110.42 1y8b h SER 555 Ca 0.73 -0.79 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1y8b h SER 555 Cb 1.98 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.82 1y8b h SER 555 CO -0.45 1.59 0.42 0.58 -0.53 0.00 0.00 176.83 178.44 1y8b h VAL 556 N -0.47 1.13 -0.75 2.23 2.07 -1.22 -2.20 116.25 117.04 1y8b h VAL 556 Ca -0.32 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1y8b h VAL 556 Cb 1.64 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1y8b h VAL 556 CO -0.01 0.15 0.42 0.06 0.02 0.00 0.00 177.57 178.21 1y8b h GLN 557 N 0.81 0.72 -0.68 1.57 3.07 -0.15 0.23 115.11 120.68 1y8b h GLN 557 Ca 0.24 -0.04 0.13 0.00 0.09 0.00 0.00 58.65 59.07 1y8b h GLN 557 Cb -0.01 -0.16 -0.04 0.00 0.08 0.00 0.00 27.48 27.34 1y8b h GLN 557 CO -0.06 0.48 0.46 0.00 0.09 0.00 0.00 178.83 179.80 1y8b h ALA 558 N 1.40 2.07 0.09 0.06 0.00 -1.55 -0.80 119.26 120.53 1y8b h ALA 558 Ca 0.35 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1y8b h ALA 558 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y8b h ALA 558 CO -0.21 -0.24 -0.04 -0.91 0.00 0.00 0.00 179.25 177.84 1y8b h ASN 559 N 0.41 -0.11 -1.10 0.00 2.35 -1.04 -2.54 115.58 113.56 1y8b h ASN 559 Ca 0.33 -0.22 0.30 0.00 -0.55 0.00 0.00 56.30 56.15 1y8b h ASN 559 Cb 0.71 0.03 -0.08 0.00 0.05 0.00 0.00 38.32 39.03 1y8b h ASN 559 CO -0.10 0.48 0.74 0.40 -1.65 0.00 0.00 177.43 177.30 1y8b h ILE 560 N -1.00 0.46 0.00 2.81 2.04 -0.97 1.02 117.51 121.87 1y8b h ILE 560 Ca -0.01 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1y8b h ILE 560 Cb 0.32 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1y8b h ILE 560 CO 0.02 0.04 -0.30 0.00 0.00 0.00 0.00 178.15 177.92 1y8b h ALA 561 N 1.54 0.81 0.00 1.87 0.00 -1.21 -3.09 119.26 119.19 1y8b h ALA 561 Ca 0.59 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1y8b h ALA 561 Cb 1.83 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1y8b h ALA 561 CO -0.19 0.37 0.00 0.94 0.00 0.00 0.00 179.25 180.37 1y8b n GLN 562 N -3.18 0.02 0.00 0.00 7.27 0.35 -4.31 117.38 117.52 1y8b n GLN 562 Ca 0.03 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.31 1y8b n GLN 562 Cb 0.64 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.75 1y8b n GLN 562 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1y8b n THR 563 N -1.58 0.00 -3.36 1.69 -2.24 -1.11 -5.05 114.28 102.62 1y8b n THR 563 Ca 0.04 0.03 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1y8b n THR 563 Cb 0.22 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1y8b n THR 563 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1y8b s GLU 564 N 0.00 0.13 0.05 -0.78 2.56 -1.26 -5.03 118.70 114.37 1y8b s GLU 564 Ca 0.00 0.30 0.22 0.00 0.00 0.00 0.00 54.97 55.49 1y8b s GLU 564 Cb 0.00 0.14 -0.09 0.00 2.00 0.00 0.00 34.13 36.18 1y8b s GLU 564 CO 0.00 -0.04 0.87 1.97 -0.56 0.00 0.00 175.26 177.50 1y8b n PHE 565 N 4.31 0.29 0.12 5.30 -1.74 -1.26 -4.26 117.46 120.21 1y8b n PHE 565 Ca -0.10 0.08 -0.11 0.00 -0.56 0.00 0.00 57.45 56.76 1y8b n PHE 565 Cb 0.55 -0.50 -0.07 0.00 1.52 0.00 0.00 39.48 40.98 1y8b n PHE 565 CO 0.00 0.00 0.00 -0.91 -0.56 0.00 0.00 176.76 175.29 1y8b h ASN 566 N 0.00 -0.30 -0.96 5.98 4.21 -1.96 0.47 115.58 123.03 1y8b h ASN 566 Ca 0.00 -0.22 0.19 0.00 1.21 0.00 0.00 56.30 57.48 1y8b h ASN 566 Cb 0.83 0.08 -0.09 0.00 -1.12 0.00 0.00 38.32 38.02 1y8b h ASN 566 CO 0.00 0.17 0.61 0.00 -1.29 0.00 0.00 177.43 176.92 1y8b h ALA 567 N -0.47 1.91 0.00 -0.83 0.00 -2.00 -0.25 119.26 117.62 1y8b h ALA 567 Ca -0.04 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1y8b h ALA 567 Cb 0.51 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1y8b h ALA 567 CO 0.06 -0.23 -1.11 1.05 0.00 0.00 0.00 179.25 179.02 1y8b h GLU 568 N 0.62 0.00 0.00 0.00 4.11 -1.73 -3.33 114.58 114.24 1y8b h GLU 568 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.95 1y8b h GLU 568 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1y8b h GLU 568 CO -0.27 0.15 0.44 0.35 0.07 0.00 0.00 179.01 179.75 1y8b h PHE 569 N 0.00 0.00 0.00 2.06 3.57 0.18 -1.66 116.94 121.10 1y8b h PHE 569 Ca -0.07 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.43 1y8b h PHE 569 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1y8b h PHE 569 CO 0.00 0.00 -0.06 0.93 -2.23 0.00 0.00 178.31 176.95 1y8b h GLU 570 N 0.00 0.00 -0.19 1.11 5.08 -1.67 -3.36 114.58 115.55 1y8b h GLU 570 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1y8b h GLU 570 Cb 0.88 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1y8b h GLU 570 CO 0.00 0.00 0.11 -1.00 -1.00 0.00 0.00 179.01 177.12 1y8b h PRO 571 N -0.49 0.25 -1.27 2.33 0.13 -1.70 -2.79 132.00 128.46 1y8b h PRO 571 Ca 0.00 -0.02 0.37 0.00 -0.87 0.00 0.00 66.00 65.48 1y8b h PRO 571 Cb 0.06 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 31.06 1y8b h PRO 571 CO 0.00 0.21 0.87 -0.07 -0.23 0.00 0.00 178.00 178.78 1y8b h LEU 572 N 0.22 0.18 -1.11 1.56 3.38 -1.54 0.45 115.31 118.46 1y8b h LEU 572 Ca 0.07 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.14 1y8b h LEU 572 Cb 0.02 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1y8b h LEU 572 CO -0.01 -0.01 0.61 0.25 0.09 0.00 0.00 178.44 179.36 1y8b h LEU 573 N 0.13 0.98 -0.55 1.67 5.85 -1.64 -0.62 115.31 121.12 1y8b h LEU 573 Ca 0.67 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.36 1y8b h LEU 573 Cb 2.29 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 1y8b h LEU 573 CO -0.18 0.65 -0.15 -2.24 -0.34 0.00 0.00 178.44 176.19 1y8b h ASP 574 N 1.12 0.00 0.27 1.25 2.03 -0.26 -3.31 116.42 117.53 1y8b h ASP 574 Ca 0.38 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.67 1y8b h ASP 574 Cb 0.08 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1y8b h ASP 574 CO -0.13 0.15 -0.13 0.44 -1.03 0.00 0.00 179.24 178.54 1y8b h ASP 575 N 0.00 -0.31 0.00 4.15 5.19 -0.88 -2.87 116.42 121.71 1y8b h ASP 575 Ca -0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.19 1y8b h ASP 575 Cb 0.92 0.08 0.00 0.00 0.18 0.00 0.00 39.33 40.51 1y8b h ASP 575 CO 0.02 0.13 0.37 0.18 -3.12 0.00 0.00 179.24 176.81 1y8b n LEU 576 N -5.06 0.06 -2.33 1.55 4.77 -1.03 -1.59 117.00 113.36 1y8b n LEU 576 Ca -0.09 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.87 1y8b n LEU 576 Cb 0.26 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1y8b n LEU 576 CO 0.28 -0.28 1.43 0.18 -1.33 0.00 0.00 177.39 177.67 1y8b n LEU 577 N -1.41 7.02 -3.69 2.23 4.77 -1.08 -4.69 117.00 120.15 1y8b n LEU 577 Ca -0.00 -4.03 -0.10 0.00 -0.03 0.00 0.00 56.01 51.85 1y8b n LEU 577 Cb 0.37 -1.08 -0.05 0.00 -2.33 0.00 0.00 43.42 40.33 1y8b n LEU 577 CO 0.01 1.50 0.09 -0.89 -1.33 0.00 0.00 177.39 176.78 1y8b s THR 578 N -3.50 0.09 0.03 -5.08 2.01 -0.62 -4.81 115.64 103.75 1y8b s THR 578 Ca 0.51 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 1y8b s THR 578 Cb 0.39 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.68 1y8b s THR 578 CO -0.13 -0.40 -0.01 0.27 -0.69 0.00 0.00 174.62 173.67 1y8b s ILE 579 N -3.73 0.14 -1.31 1.82 -4.36 -1.26 -4.98 121.20 107.53 1y8b s ILE 579 Ca 0.03 -1.19 -0.18 0.00 -0.26 0.00 0.00 60.65 59.05 1y8b s ILE 579 Cb 0.02 -0.72 0.05 0.00 1.25 0.00 0.00 42.46 43.06 1y8b s ILE 579 CO -0.11 -0.66 1.85 -0.81 0.24 0.00 0.00 174.94 175.45 1y8b n PRO 580 N 1.05 2.96 -2.60 0.37 -0.04 -1.26 -4.94 135.00 130.53 1y8b n PRO 580 Ca -0.20 -3.05 -0.42 0.00 -0.04 0.00 0.00 63.50 59.79 1y8b n PRO 580 Cb 0.57 -3.47 -0.03 0.00 -0.04 0.00 0.00 33.50 30.54 1y8b n PRO 580 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1y8b s VAL 581 N 4.64 3.88 -0.29 0.52 -7.23 -1.26 -4.91 120.40 115.74 1y8b s VAL 581 Ca 0.54 0.44 0.01 0.00 -1.81 0.00 0.00 61.98 61.16 1y8b s VAL 581 Cb 0.06 -4.83 0.19 0.00 0.56 0.00 0.00 36.38 32.35 1y8b s VAL 581 CO 0.05 -1.67 0.58 0.00 -0.31 0.00 0.00 175.10 173.75 1y8b s ALA 582 N 5.31 -2.20 0.00 1.32 0.00 -1.26 0.34 121.76 125.28 1y8b s ALA 582 Ca 0.35 1.48 -0.03 0.00 0.00 0.00 0.00 51.96 53.76 1y8b s ALA 582 Cb -0.09 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.78 1y8b s ALA 582 CO 0.17 -1.50 0.14 0.39 0.00 0.00 0.00 175.76 174.96 1y8b n GLU 583 N 5.42 0.03 0.00 0.00 1.02 -1.26 -4.92 120.64 120.93 1y8b n GLU 583 Ca 0.01 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.04 1y8b n GLU 583 Cb 0.52 0.17 0.00 0.00 -0.02 0.00 0.00 31.44 32.10 1y8b n GLU 583 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1y8b n ASN 584 N -0.34 0.00 -4.37 1.62 0.23 -1.26 -4.88 115.26 106.27 1y8b n ASN 584 Ca 0.00 0.00 -0.52 0.00 -0.53 0.00 0.00 54.58 53.54 1y8b n ASN 584 Cb 0.07 -0.40 -0.12 0.00 -2.08 0.00 0.00 39.78 37.25 1y8b n ASN 584 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1y8b n ALA 585 N 0.44 0.36 0.37 -2.53 0.00 -1.26 -4.62 120.51 113.27 1y8b n ALA 585 Ca 0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 1y8b n ALA 585 Cb 0.00 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.14 1y8b n ALA 585 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1y8b h ASN 586 N 10.79 -0.83 0.00 0.00 2.35 -1.91 -3.46 115.58 122.52 1y8b h ASN 586 Ca -0.11 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1y8b h ASN 586 Cb 1.37 0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.95 1y8b h ASN 586 CO 1.19 -0.45 0.00 1.87 -1.65 0.00 0.00 177.43 178.38 1y8b n TRP 587 N -5.43 0.00 -0.90 1.19 -0.00 -1.26 -3.93 117.44 107.11 1y8b n TRP 587 Ca -0.12 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.09 1y8b n TRP 587 Cb 0.39 0.05 0.19 0.00 -0.00 0.00 0.00 31.31 31.94 1y8b n TRP 587 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 1y8b s SER 588 N -4.00 2.26 0.32 5.87 0.15 -1.26 -4.92 113.70 112.12 1y8b s SER 588 Ca 0.00 1.49 0.16 0.00 0.70 0.00 0.00 55.95 58.31 1y8b s SER 588 Cb 0.00 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.49 1y8b s SER 588 CO 0.00 -3.40 1.58 0.00 1.20 0.00 0.00 173.24 172.62 1y8b h ALA 589 N -2.08 0.81 0.00 5.45 0.00 -2.02 -3.11 119.26 118.32 1y8b h ALA 589 Ca -0.55 -0.44 -0.19 0.00 0.00 0.00 0.00 54.91 53.74 1y8b h ALA 589 Cb 1.31 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1y8b h ALA 589 CO 0.52 0.60 -0.87 -0.56 0.00 0.00 0.00 179.25 178.95 1y8b h GLN 590 N 0.00 0.06 0.58 0.00 3.07 -1.93 -2.89 115.11 114.00 1y8b h GLN 590 Ca -0.00 -0.07 -0.03 0.00 0.09 0.00 0.00 58.65 58.64 1y8b h GLN 590 Cb 1.17 0.02 0.01 0.00 0.08 0.00 0.00 27.48 28.75 1y8b h GLN 590 CO 0.06 0.88 -0.28 0.93 0.09 0.00 0.00 178.83 180.52 1y8b h GLU 591 N 0.03 -0.75 -0.93 0.06 4.39 -1.84 0.95 114.58 116.49 1y8b h GLU 591 Ca -0.02 0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.93 1y8b h GLU 591 Cb 1.52 0.17 -0.08 0.00 -0.10 0.00 0.00 28.75 30.26 1y8b h GLU 591 CO 0.12 -0.50 0.61 0.97 -1.16 0.00 0.00 179.01 179.04 1y8b h ILE 592 N -0.81 0.68 -0.17 3.13 2.10 -1.67 0.50 117.51 121.28 1y8b h ILE 592 Ca -0.08 -0.17 -0.19 0.00 1.08 0.00 0.00 64.86 65.50 1y8b h ILE 592 Cb 0.60 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 36.48 1y8b h ILE 592 CO 0.13 0.09 -0.68 -0.61 -1.08 0.00 0.00 178.15 176.00 1y8b h GLN 593 N 0.49 0.67 -0.07 2.19 4.15 -1.24 -0.20 115.11 121.10 1y8b h GLN 593 Ca 0.50 -0.50 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1y8b h GLN 593 Cb 1.12 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1y8b h GLN 593 CO -0.22 1.12 -0.21 0.37 -1.93 0.00 0.00 178.83 177.96 1y8b h GLN 594 N 0.48 0.27 0.39 1.69 -0.00 0.39 -1.42 115.11 116.91 1y8b h GLN 594 Ca -0.02 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.65 58.42 1y8b h GLN 594 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.79 1y8b h GLN 594 CO 0.13 0.81 -0.19 0.93 0.00 0.00 0.00 178.83 180.52 1y8b h GLU 595 N -0.23 -0.50 -0.08 1.69 3.07 -0.20 0.13 114.58 118.46 1y8b h GLU 595 Ca -0.01 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 58.93 1y8b h GLU 595 Cb 0.83 0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.80 1y8b h GLU 595 CO 0.05 -0.21 -0.26 1.25 -1.40 0.00 0.00 179.01 178.44 1y8b h LEU 596 N -0.77 -0.78 -0.03 1.33 5.85 -1.13 -1.57 115.31 118.21 1y8b h LEU 596 Ca -0.05 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1y8b h LEU 596 Cb 0.52 0.33 -0.05 0.00 0.37 0.00 0.00 40.66 41.83 1y8b h LEU 596 CO 0.09 -0.31 -0.33 -0.78 -0.34 0.00 0.00 178.44 176.76 1y8b h ASP 597 N -0.35 -1.01 -1.01 1.25 3.58 -1.23 0.16 116.42 117.81 1y8b h ASP 597 Ca 0.09 0.13 0.31 0.00 0.42 0.00 0.00 57.03 57.98 1y8b h ASP 597 Cb 0.48 0.41 -0.14 0.00 1.72 0.00 0.00 39.33 41.79 1y8b h ASP 597 CO -0.28 -0.39 0.58 -1.13 -2.88 0.00 0.00 179.24 175.14 1y8b h ASN 598 N -0.47 0.54 0.23 2.28 -0.00 -0.40 0.67 115.58 118.45 1y8b h ASN 598 Ca 0.07 0.18 -0.01 0.00 -0.00 0.00 0.00 56.30 56.54 1y8b h ASN 598 Cb 0.57 0.12 0.00 0.00 -0.00 0.00 0.00 38.32 39.01 1y8b h ASN 598 CO -0.29 -0.09 -0.11 0.78 -0.00 0.00 0.00 177.43 177.71 1y8b h ASN 599 N 0.37 -0.26 -0.70 1.15 4.21 0.01 -2.44 115.58 117.91 1y8b h ASN 599 Ca 0.72 -0.22 0.15 0.00 1.21 0.00 0.00 56.30 58.16 1y8b h ASN 599 Cb 1.60 0.07 -0.13 0.00 -1.12 0.00 0.00 38.32 38.75 1y8b h ASN 599 CO -0.58 0.25 -0.06 0.58 -1.29 0.00 0.00 177.43 176.33 1y8b h VAL 600 N -0.96 0.35 -0.16 2.81 2.07 0.60 0.68 116.25 121.64 1y8b h VAL 600 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1y8b h VAL 600 Cb 0.47 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1y8b h VAL 600 CO 0.05 0.01 0.10 -0.61 0.02 0.00 0.00 177.57 177.14 1y8b h GLN 601 N 0.06 0.21 -0.60 1.57 -0.00 -1.00 0.10 115.11 115.46 1y8b h GLN 601 Ca 0.37 -0.02 0.12 0.00 -0.00 0.00 0.00 58.65 59.12 1y8b h GLN 601 Cb 0.61 -0.05 -0.11 0.00 0.00 0.00 0.00 27.48 27.93 1y8b h GLN 601 CO -0.66 0.17 -0.10 0.78 0.00 0.00 0.00 178.83 179.02 1y8b h GLY 602 N 0.20 0.50 0.36 2.39 0.00 -0.38 0.60 103.07 106.73 1y8b h GLY 602 Ca 0.06 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1y8b h GLY 602 CO -0.01 -0.22 -0.06 0.16 0.00 0.00 0.00 176.54 176.41 1y8b h ILE 603 N 0.03 1.00 -0.74 2.60 3.07 -0.98 -2.51 117.51 119.98 1y8b h ILE 603 Ca 0.30 -1.22 0.08 0.00 1.55 0.00 0.00 64.86 65.57 1y8b h ILE 603 Cb 0.47 1.68 -0.06 0.00 -0.27 0.00 0.00 36.82 38.63 1y8b h ILE 603 CO -0.59 0.26 0.40 -0.07 -1.05 0.00 0.00 178.15 177.11 1y8b h LEU 604 N -0.81 0.58 -0.37 0.16 3.38 -0.43 2.29 115.31 120.11 1y8b h LEU 604 Ca -0.02 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1y8b h LEU 604 Cb 0.55 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1y8b h LEU 604 CO 0.03 0.35 0.15 1.23 0.09 0.00 0.00 178.44 180.28 1y8b h GLY 605 N 0.71 0.59 1.66 0.83 0.00 0.13 0.11 103.07 107.11 1y8b h GLY 605 Ca 0.35 -0.32 -0.26 0.00 0.00 0.00 0.00 47.33 47.09 1y8b h GLY 605 CO -0.22 0.31 -1.23 -1.82 0.00 0.00 0.00 176.54 173.57 1y8b h TYR 606 N 0.45 0.36 -0.35 5.60 3.20 -0.93 -2.48 116.97 122.81 1y8b h TYR 606 Ca 0.12 -0.26 -0.13 0.00 3.14 0.00 0.00 58.73 61.61 1y8b h TYR 606 Cb 0.19 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 1y8b h TYR 606 CO -0.00 1.22 -0.29 0.28 -1.64 0.00 0.00 178.16 177.73 1y8b h VAL 607 N 0.05 1.28 0.15 1.81 2.07 0.39 0.58 116.25 122.58 1y8b h VAL 607 Ca -0.12 -1.42 -0.29 0.00 0.82 0.00 0.00 66.70 65.69 1y8b h VAL 607 Cb 1.93 1.32 0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1y8b h VAL 607 CO 0.18 0.47 -1.31 1.62 0.02 0.00 0.00 177.57 178.55 1y8b h VAL 608 N 0.64 1.44 0.00 2.57 3.04 -1.05 -2.47 116.25 120.41 1y8b h VAL 608 Ca 0.08 -2.99 -0.21 0.00 -1.01 0.00 0.00 66.70 62.57 1y8b h VAL 608 Cb 0.81 2.95 -0.03 0.00 -2.01 0.00 0.00 31.29 33.01 1y8b h VAL 608 CO 0.07 0.88 -1.18 0.03 -1.01 0.00 0.00 177.57 176.36 1y8b h ARG 609 N 0.09 0.00 0.22 4.17 3.08 -1.41 -2.56 114.38 117.96 1y8b h ARG 609 Ca -0.16 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.56 1y8b h ARG 609 Cb 2.01 0.00 0.03 0.00 0.08 0.00 0.00 29.97 32.09 1y8b h ARG 609 CO 0.21 0.67 -1.52 2.35 -1.07 0.00 0.00 179.97 180.62 1y8b h TRP 610 N 0.00 0.84 0.00 3.04 7.01 0.10 0.46 115.95 127.39 1y8b h TRP 610 Ca -0.11 -0.61 -0.11 0.00 2.11 0.00 0.00 58.89 60.16 1y8b h TRP 610 Cb 1.75 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 28.76 1y8b h TRP 610 CO 0.00 1.59 -0.80 0.28 -2.79 0.00 0.00 178.44 176.71 1y8b h VAL 611 N 0.07 0.66 0.00 2.65 2.07 -1.58 -2.48 116.25 117.64 1y8b h VAL 611 Ca -0.28 -2.02 -0.11 0.00 0.82 0.00 0.00 66.70 65.11 1y8b h VAL 611 Cb 2.09 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 34.06 1y8b h VAL 611 CO 0.22 0.37 -0.64 -0.08 0.02 0.00 0.00 177.57 177.47 1y8b h GLU 612 N 0.00 0.00 0.00 1.57 4.81 -1.59 -3.43 114.58 115.94 1y8b h GLU 612 Ca -0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1y8b h GLU 612 Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1y8b h GLU 612 CO 0.05 0.92 -0.84 0.94 -0.73 0.00 0.00 179.01 179.35 1y8b n GLN 613 N -4.53 1.04 -0.95 1.92 -0.06 -1.10 -5.03 117.38 108.66 1y8b n GLN 613 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.80 1y8b n GLN 613 Cb 0.55 -0.92 0.00 0.00 -4.06 0.00 0.00 30.24 25.81 1y8b n GLN 613 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1y8b n GLY 614 N 2.12 1.22 2.82 1.69 0.00 0.13 -4.98 105.19 108.19 1y8b n GLY 614 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 1y8b n GLY 614 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y8b n ILE 615 N -2.34 0.00 0.00 -0.61 5.41 0.74 -4.86 119.36 117.70 1y8b n ILE 615 Ca 0.00 -1.42 0.00 0.00 1.00 0.00 0.00 62.75 62.33 1y8b n ILE 615 Cb 0.23 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.56 1y8b n ILE 615 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y8b n GLY 616 N -0.09 1.24 3.86 7.39 0.00 -1.26 -3.70 105.19 112.62 1y8b n GLY 616 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1y8b n GLY 616 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y8b n SER 618 N -0.60 0.00 -4.73 0.00 2.88 -1.26 -4.64 113.62 105.28 1y8b n SER 618 Ca -0.08 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.12 1y8b n SER 618 Cb 0.55 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.10 1y8b n SER 618 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1y8b s LYS 619 N 0.00 2.24 -0.17 -1.46 -2.85 -1.26 -4.26 119.74 111.98 1y8b s LYS 619 Ca 0.00 1.76 -0.13 0.00 -1.00 0.00 0.00 55.97 56.60 1y8b s LYS 619 Cb 0.00 -1.85 0.05 0.00 -2.06 0.00 0.00 37.83 33.97 1y8b s LYS 619 CO 0.00 -1.76 0.42 0.08 0.10 0.00 0.00 175.35 174.20 1y8b s VAL 620 N -1.95 -0.01 0.03 1.79 1.01 -1.12 -4.91 120.40 115.24 1y8b s VAL 620 Ca 0.74 0.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.46 1y8b s VAL 620 Cb -0.29 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1y8b s VAL 620 CO 0.44 0.02 1.86 -2.16 0.00 0.00 0.00 175.10 175.25 1y8b s PRO 621 N 0.71 4.15 0.00 2.72 0.04 -1.26 -3.63 135.00 137.73 1y8b s PRO 621 Ca -0.04 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.50 1y8b s PRO 621 Cb -0.05 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1y8b s PRO 621 CO -0.05 -0.90 0.00 -3.47 0.04 0.00 0.00 177.00 172.62 1y8b n ASP 622 N 7.05 1.05 0.16 6.66 2.03 -1.26 -4.92 116.55 127.32 1y8b n ASP 622 Ca 0.19 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.53 1y8b n ASP 622 Cb 0.41 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.02 1y8b n ASP 622 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 1y8b h ILE 623 N 0.00 0.95 -0.61 5.18 3.07 -1.94 -2.86 117.51 121.30 1y8b h ILE 623 Ca 0.00 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 64.55 1y8b h ILE 623 Cb 0.00 2.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.69 1y8b h ILE 623 CO 0.00 0.45 0.00 1.41 -1.05 0.00 0.00 178.15 178.96 1y8b n HIS 624 N -3.44 1.12 -1.51 0.16 8.25 -1.26 -4.91 115.22 113.63 1y8b n HIS 624 Ca 0.00 -0.57 -0.15 0.00 -0.26 0.00 0.00 57.72 56.74 1y8b n HIS 624 Cb 0.61 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.53 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 1.11 -3.95 -4.91 0.41 3.02 -1.08 -4.93 115.26 104.92 1y8b n ASN 625 Ca 0.23 0.35 -0.27 0.00 -0.03 0.00 0.00 54.58 54.85 1y8b n ASN 625 Cb 0.73 -3.61 0.07 0.00 -0.61 0.00 0.00 39.78 36.35 1y8b n ASN 625 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1y8b s VAL 626 N -2.30 2.51 -1.00 2.41 1.01 -1.26 -4.57 120.40 117.20 1y8b s VAL 626 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 1y8b s VAL 626 Cb 0.00 -3.11 -0.16 0.00 0.00 0.00 0.00 36.38 33.11 1y8b s VAL 626 CO 0.00 -0.13 3.19 0.00 0.00 0.00 0.00 175.10 178.16 1y8b n ALA 627 N -3.00 7.06 -2.67 5.51 0.00 -1.26 -4.10 120.51 122.05 1y8b n ALA 627 Ca 0.07 -2.85 -0.41 0.00 0.00 0.00 0.00 53.44 50.25 1y8b n ALA 627 Cb 0.60 -2.97 -0.05 0.00 0.00 0.00 0.00 19.45 17.03 1y8b n ALA 627 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y8b s LEU 628 N 0.10 4.17 0.30 0.00 1.43 -1.24 -4.47 118.68 118.97 1y8b s LEU 628 Ca 0.68 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 1y8b s LEU 628 Cb 0.23 -3.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.31 1y8b s LEU 628 CO -0.04 -0.33 0.58 0.00 0.23 0.00 0.00 176.35 176.79 1y8b s MET 629 N 1.98 3.67 -0.07 1.70 0.23 -1.26 -2.77 119.30 122.77 1y8b s MET 629 Ca 0.34 0.09 -0.01 0.00 -1.03 0.00 0.00 55.69 55.09 1y8b s MET 629 Cb -0.16 -2.61 0.03 0.00 -1.53 0.00 0.00 34.83 30.55 1y8b s MET 629 CO 0.12 0.19 -0.01 -1.83 -2.03 0.00 0.00 175.02 171.45 1y8b s GLU 630 N -3.53 0.70 0.00 3.16 -1.05 -1.26 -4.99 118.70 111.74 1y8b s GLU 630 Ca 0.45 0.04 0.00 0.00 -0.15 0.00 0.00 54.97 55.31 1y8b s GLU 630 Cb -0.11 -0.96 0.00 0.00 -0.44 0.00 0.00 34.13 32.62 1y8b s GLU 630 CO 0.29 -0.25 0.00 -0.40 0.95 0.00 0.00 175.26 175.86 1y8b n ASP 631 N 4.86 1.33 -0.04 0.83 5.75 -1.26 -4.45 116.55 123.57 1y8b n ASP 631 Ca -0.12 -0.68 0.06 0.00 -0.01 0.00 0.00 54.79 54.04 1y8b n ASP 631 Cb 0.50 0.00 0.37 0.00 -1.03 0.00 0.00 41.12 40.96 1y8b n ASP 631 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1y8b n ARG 632 N -0.23 1.05 -0.06 0.11 5.12 -1.26 -3.82 116.66 117.57 1y8b n ARG 632 Ca 0.00 -0.07 -0.03 0.00 -1.93 0.00 0.00 57.85 55.82 1y8b n ARG 632 Cb 0.00 -1.20 -0.02 0.00 -1.16 0.00 0.00 32.46 30.08 1y8b n ARG 632 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1y8b h ALA 633 N 3.42 0.01 -0.07 7.54 0.00 -1.97 -3.29 119.26 124.91 1y8b h ALA 633 Ca 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1y8b h ALA 633 Cb 0.03 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1y8b h ALA 633 CO 0.00 0.24 0.24 1.15 0.00 0.00 0.00 179.25 180.87 1y8b h THR 634 N -1.00 0.13 -0.16 0.00 2.02 -1.82 -0.79 112.91 111.29 1y8b h THR 634 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.14 1y8b h THR 634 Cb 0.30 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 1y8b h THR 634 CO -0.01 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.11 1y8b h LEU 635 N 0.00 0.29 0.00 2.58 7.12 -1.67 -3.35 115.31 120.27 1y8b h LEU 635 Ca 0.03 -0.35 0.00 0.00 0.13 0.00 0.00 57.88 57.70 1y8b h LEU 635 Cb 0.50 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 1y8b h LEU 635 CO -0.00 0.57 -0.31 -0.09 -0.13 0.00 0.00 178.44 178.48 1y8b h ARG 636 N 0.01 0.00 -4.88 1.25 2.43 -1.26 -3.39 114.38 108.53 1y8b h ARG 636 Ca 0.04 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.67 1y8b h ARG 636 Cb 0.44 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1y8b h ARG 636 CO 0.01 0.00 1.89 0.44 -1.51 0.00 0.00 179.97 180.80 1y8b n ILE 637 N -3.88 2.03 0.10 1.20 -5.35 -0.49 -3.44 119.36 109.51 1y8b n ILE 637 Ca -0.04 -1.92 0.00 0.00 -0.27 0.00 0.00 62.75 60.51 1y8b n ILE 637 Cb 0.16 -2.28 0.00 0.00 -1.74 0.00 0.00 39.64 35.78 1y8b n ILE 637 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1y8b n SER 638 N 9.95 -1.71 0.05 7.28 2.88 -1.26 -4.63 113.62 126.18 1y8b n SER 638 Ca 0.48 0.65 0.18 0.00 -1.33 0.00 0.00 58.87 58.85 1y8b n SER 638 Cb 0.43 1.87 0.69 0.00 -0.75 0.00 0.00 64.21 66.45 1y8b n SER 638 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1y8b h SER 639 N 0.00 0.00 -0.34 -3.46 0.02 -1.74 0.13 113.55 108.16 1y8b h SER 639 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1y8b h SER 639 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1y8b h SER 639 CO 0.00 0.00 -0.32 0.06 -1.14 0.00 0.00 176.83 175.43 1y8b h GLN 640 N 0.00 0.87 -0.53 3.45 3.07 -1.92 -2.91 115.11 117.15 1y8b h GLN 640 Ca 0.20 -0.42 -0.06 0.00 0.09 0.00 0.00 58.65 58.47 1y8b h GLN 640 Cb 0.83 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 28.37 1y8b h GLN 640 CO -0.00 1.06 0.09 0.45 0.09 0.00 0.00 178.83 180.53 1y8b h HIS 641 N 0.73 0.92 -0.31 0.06 3.86 -1.11 -1.99 115.15 117.32 1y8b h HIS 641 Ca 0.08 -0.12 0.09 0.00 -1.16 0.00 0.00 60.37 59.25 1y8b h HIS 641 Cb 0.89 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.09 1y8b h HIS 641 CO 0.05 0.82 0.23 0.82 0.86 0.00 0.00 177.93 180.71 1y8b h ILE 642 N 0.75 0.81 0.68 2.45 2.04 -1.24 -2.52 117.51 120.48 1y8b h ILE 642 Ca 0.16 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 1y8b h ILE 642 Cb 0.39 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1y8b h ILE 642 CO 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.83 1y8b h ALA 643 N 1.83 -1.12 -1.03 1.87 0.00 -1.17 0.14 119.26 119.79 1y8b h ALA 643 Ca 0.15 -0.20 0.30 0.00 0.00 0.00 0.00 54.91 55.15 1y8b h ALA 643 Cb 0.60 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.61 1y8b h ALA 643 CO -0.00 -1.05 0.62 -0.97 0.00 0.00 0.00 179.25 177.84 1y8b h ASN 644 N -1.00 0.54 0.99 0.00 -0.00 -1.43 2.32 115.58 117.00 1y8b h ASN 644 Ca -0.09 0.15 -0.05 0.00 -0.00 0.00 0.00 56.30 56.31 1y8b h ASN 644 Cb 0.70 0.08 -0.01 0.00 -0.00 0.00 0.00 38.32 39.09 1y8b h ASN 644 CO 0.15 -0.02 -0.22 -0.50 -0.00 0.00 0.00 177.43 176.84 1y8b h TRP 645 N 0.41 0.00 0.15 0.67 6.55 -1.15 -2.25 115.95 120.33 1y8b h TRP 645 Ca 0.69 0.00 -0.30 0.00 0.95 0.00 0.00 58.89 60.23 1y8b h TRP 645 Cb 1.57 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.89 1y8b h TRP 645 CO -0.01 0.22 -1.29 1.25 -1.05 0.00 0.00 178.44 177.56 1y8b h LEU 646 N 0.00 0.74 0.04 -4.49 7.12 0.67 0.11 115.31 119.50 1y8b h LEU 646 Ca -0.00 -0.73 -0.05 0.00 0.13 0.00 0.00 57.88 57.22 1y8b h LEU 646 Cb 0.77 -0.24 0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1y8b h LEU 646 CO 0.03 1.55 -0.24 0.08 -0.13 0.00 0.00 178.44 179.73 1y8b h ARG 647 N 0.19 0.10 -0.01 1.25 -0.00 -1.06 -3.40 114.38 111.46 1y8b h ARG 647 Ca -0.19 -0.15 0.00 0.00 -0.00 0.00 0.00 59.98 59.64 1y8b h ARG 647 Cb 1.97 0.05 0.00 0.00 -0.00 0.00 0.00 29.97 32.00 1y8b h ARG 647 CO 0.24 1.04 0.00 0.72 -0.00 0.00 0.00 179.97 181.97 1y8b n HIS 648 N -4.48 0.01 0.99 4.08 8.25 -0.86 -4.59 115.22 118.62 1y8b n HIS 648 Ca -0.11 -0.06 0.02 0.00 -0.26 0.00 0.00 57.72 57.30 1y8b n HIS 648 Cb 0.56 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.74 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 0.08 0.99 3.53 -1.41 0.00 0.37 -4.90 105.19 103.85 1y8b n GLY 649 Ca 0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 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 0.03 -5.88 -4.43 -0.61 -0.00 -1.24 -4.89 119.36 102.35 1y8b n ILE 650 Ca 0.05 -0.15 -0.24 0.00 -0.00 0.00 0.00 62.75 62.41 1y8b n ILE 650 Cb 0.31 -4.41 -0.17 0.00 -0.00 0.00 0.00 39.64 35.37 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 -4.74 1.53 0.03 1.39 1.43 -1.26 -5.08 118.68 111.98 1y8b s LEU 651 Ca 0.03 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.68 1y8b s LEU 651 Cb -0.01 -0.75 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 1y8b s LEU 651 CO 0.84 -0.00 0.55 0.28 0.23 0.00 0.00 176.35 178.26 1y8b s THR 652 N 0.82 4.85 0.58 5.49 -1.32 -1.26 -4.92 115.64 119.88 1y8b s THR 652 Ca -0.12 1.16 0.31 0.00 -1.21 0.00 0.00 61.69 61.83 1y8b s THR 652 Cb -0.15 -3.88 0.44 0.00 -1.51 0.00 0.00 72.50 67.40 1y8b s THR 652 CO 0.02 0.50 1.70 0.11 -2.21 0.00 0.00 174.62 174.74 1y8b h LYS 653 N 5.03 0.00 0.49 7.08 1.57 -1.99 -1.70 116.57 127.05 1y8b h LYS 653 Ca -0.48 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 1y8b h LYS 653 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1y8b h LYS 653 CO 0.66 0.00 -0.24 1.49 -0.57 0.00 0.00 179.45 180.79 1y8b h GLU 654 N 0.00 -0.64 -0.34 3.15 4.81 -1.97 0.41 114.58 120.00 1y8b h GLU 654 Ca 0.40 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.77 1y8b h GLU 654 Cb 2.01 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.52 1y8b h GLU 654 CO -0.00 -0.42 0.30 -0.56 -0.73 0.00 0.00 179.01 177.59 1y8b h GLN 655 N -1.11 0.00 0.00 1.92 -0.00 -1.72 0.20 115.11 114.40 1y8b h GLN 655 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.47 1y8b h GLN 655 Cb 0.51 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.97 1y8b h GLN 655 CO 0.11 0.00 -0.63 0.28 -0.00 0.00 0.00 178.83 178.59 1y8b h VAL 656 N 0.00 1.10 -0.55 1.86 2.07 -1.42 -2.84 116.25 116.47 1y8b h VAL 656 Ca 0.16 -2.06 0.07 0.00 0.82 0.00 0.00 66.70 65.69 1y8b h VAL 656 Cb 0.76 2.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 1y8b h VAL 656 CO -0.00 0.37 0.37 -0.61 0.02 0.00 0.00 177.57 177.72 1y8b h GLN 657 N -1.00 0.46 -0.10 1.57 4.15 0.26 -0.74 115.11 119.72 1y8b h GLN 657 Ca -0.16 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.04 1y8b h GLN 657 Cb 1.03 -0.10 -0.00 0.00 0.21 0.00 0.00 27.48 28.61 1y8b h GLN 657 CO -0.10 0.30 -0.72 0.00 -1.93 0.00 0.00 178.83 176.39 1y8b h ALA 658 N 1.71 0.57 0.26 3.38 0.00 -0.73 -2.97 119.26 121.47 1y8b h ALA 658 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1y8b h ALA 658 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1y8b h ALA 658 CO -0.07 0.74 -0.29 1.03 0.00 0.00 0.00 179.25 180.67 1y8b h SER 659 N 0.32 -0.78 -0.95 0.00 0.87 -0.88 -0.51 113.55 111.62 1y8b h SER 659 Ca -0.03 0.07 0.12 0.00 -1.23 0.00 0.00 61.79 60.72 1y8b h SER 659 Cb 1.29 0.27 -0.08 0.00 -0.44 0.00 0.00 62.40 63.44 1y8b h SER 659 CO 0.13 -0.40 0.58 -0.07 -0.53 0.00 0.00 176.83 176.54 1y8b h LEU 660 N -0.58 0.85 -0.18 2.23 3.38 -1.54 0.45 115.31 119.91 1y8b h LEU 660 Ca -0.00 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1y8b h LEU 660 Cb 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1y8b h LEU 660 CO -0.08 0.45 0.09 -0.33 0.09 0.00 0.00 178.44 178.67 1y8b h GLU 661 N 0.93 0.19 0.14 1.13 4.39 -1.16 0.84 114.58 121.05 1y8b h GLU 661 Ca 0.47 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.15 1y8b h GLU 661 Cb 0.47 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1y8b h GLU 661 CO -0.27 0.13 -0.07 -0.91 -1.16 0.00 0.00 179.01 176.73 1y8b h ASN 662 N 0.20 -0.16 -0.49 1.42 4.21 -0.18 -3.19 115.58 117.39 1y8b h ASN 662 Ca 0.07 -0.34 0.10 0.00 1.21 0.00 0.00 56.30 57.34 1y8b h ASN 662 Cb 0.01 0.04 -0.10 0.00 -1.12 0.00 0.00 38.32 37.15 1y8b h ASN 662 CO -0.04 0.43 -0.20 0.24 -1.29 0.00 0.00 177.43 176.57 1y8b h MET 663 N -0.93 -0.09 -1.06 0.81 2.86 -0.17 0.42 114.93 116.77 1y8b h MET 663 Ca -0.02 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.91 1y8b h MET 663 Cb 0.49 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.07 1y8b h MET 663 CO 0.03 -0.06 0.69 0.00 1.06 0.00 0.00 176.91 178.63 1y8b h ALA 664 N 1.28 2.31 0.08 6.32 0.00 -0.92 -0.23 119.26 128.10 1y8b h ALA 664 Ca 0.23 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1y8b h ALA 664 Cb 0.45 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1y8b h ALA 664 CO -0.55 -0.72 -0.04 0.87 0.00 0.00 0.00 179.25 178.81 1y8b h LYS 665 N 0.35 -0.11 -1.07 0.00 1.79 -0.21 -1.09 116.57 116.23 1y8b h LYS 665 Ca 0.60 0.01 0.29 0.00 -2.18 0.00 0.00 60.65 59.38 1y8b h LYS 665 Cb 1.61 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 32.17 1y8b h LYS 665 CO -0.29 0.42 0.68 0.28 -1.08 0.00 0.00 179.45 179.46 1y8b h VAL 666 N -0.73 0.44 0.09 0.50 2.07 0.16 0.11 116.25 118.90 1y8b h VAL 666 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 1y8b h VAL 666 Cb 0.57 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1y8b h VAL 666 CO 0.02 0.07 -0.04 0.58 0.02 0.00 0.00 177.57 178.21 1y8b h VAL 667 N 0.37 0.91 -0.95 2.57 2.07 -1.24 -3.27 116.25 116.72 1y8b h VAL 667 Ca 0.65 -1.41 0.25 0.00 0.82 0.00 0.00 66.70 67.01 1y8b h VAL 667 Cb 1.64 1.63 -0.13 0.00 -1.52 0.00 0.00 31.29 32.91 1y8b h VAL 667 CO -0.37 0.27 0.47 -0.78 0.02 0.00 0.00 177.57 177.18 1y8b h ASP 668 N -0.92 0.42 -0.84 0.57 3.58 0.16 0.40 116.42 119.79 1y8b h ASP 668 Ca -0.01 0.16 0.20 0.00 0.42 0.00 0.00 57.03 57.81 1y8b h ASP 668 Cb 0.54 0.13 -0.12 0.00 1.72 0.00 0.00 39.33 41.59 1y8b h ASP 668 CO 0.02 -0.03 0.28 -0.61 -2.88 0.00 0.00 179.24 176.02 1y8b h GLN 669 N 0.40 0.30 -0.19 0.28 4.15 -0.88 0.99 115.11 120.16 1y8b h GLN 669 Ca 0.63 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 60.02 1y8b h GLN 669 Cb 1.27 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 1y8b h GLN 669 CO -0.55 0.20 0.10 1.96 -1.93 0.00 0.00 178.83 178.60 1y8b h GLN 670 N 0.30 0.26 -0.58 1.69 4.20 -0.28 2.43 115.11 123.13 1y8b h GLN 670 Ca 0.51 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1y8b h GLN 670 Cb 0.96 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1y8b h GLN 670 CO -0.56 0.20 0.00 0.09 -0.67 0.00 0.00 178.83 177.89 1y8b n ASN 671 N -4.48 4.05 -1.96 1.46 5.03 0.29 -4.59 115.26 115.07 1y8b n ASN 671 Ca -0.00 -2.26 -0.01 0.00 0.87 0.00 0.00 54.58 53.18 1y8b n ASN 671 Cb 0.10 -0.47 -0.00 0.00 -1.02 0.00 0.00 39.78 38.38 1y8b n ASN 671 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y8b n ALA 672 N 1.03 -2.03 -0.28 5.41 0.00 0.19 -5.05 120.51 119.77 1y8b n ALA 672 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1y8b n ALA 672 Cb 0.71 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.25 0.06 2.30 0.00 0.00 0.81 -4.60 105.19 103.51 1y8b n GLY 673 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1y8b n GLY 673 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1y8b n ASP 674 N -1.60 -0.12 -0.06 1.61 5.75 -1.26 -4.98 116.55 115.88 1y8b n ASP 674 Ca 0.00 -2.54 -0.05 0.00 -0.01 0.00 0.00 54.79 52.19 1y8b n ASP 674 Cb 0.00 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.46 1y8b n ASP 674 CO 0.00 0.00 0.00 1.55 -0.11 0.00 0.00 177.20 178.64 1y8b h PRO 675 N 4.83 0.00 0.00 0.11 0.13 -1.96 -3.50 132.00 131.61 1y8b h PRO 675 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1y8b h PRO 675 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1y8b h PRO 675 CO 0.42 0.26 0.00 0.00 -0.23 0.00 0.00 178.00 178.45 1y8b n ALA 676 N -2.90 0.00 -2.28 -0.56 0.00 -1.26 -5.13 120.51 108.39 1y8b n ALA 676 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.02 1y8b n ALA 676 Cb 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.57 1y8b n ALA 676 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1y8b s TYR 677 N -0.45 3.75 -0.02 0.00 -0.85 -1.26 -5.08 117.35 113.44 1y8b s TYR 677 Ca 0.00 1.24 0.04 0.00 -0.52 0.00 0.00 57.07 57.83 1y8b s TYR 677 Cb 0.00 -2.48 -0.01 0.00 0.38 0.00 0.00 41.96 39.85 1y8b s TYR 677 CO 0.00 0.53 -0.15 1.03 -1.52 0.00 0.00 175.55 175.44 1y8b s ARG 678 N -1.39 1.35 0.96 -3.49 1.81 -1.26 -5.10 118.95 111.83 1y8b s ARG 678 Ca 0.32 -0.53 -0.17 0.00 -1.72 0.00 0.00 55.73 53.63 1y8b s ARG 678 Cb -0.18 -1.26 -0.14 0.00 -0.45 0.00 0.00 34.95 32.92 1y8b s ARG 678 CO 0.19 0.28 -0.71 -2.30 -0.68 0.00 0.00 175.30 172.08 1y8b n PRO 679 N 2.91 -0.01 0.02 3.54 -0.02 -1.26 -4.89 135.00 135.28 1y8b n PRO 679 Ca -0.16 -0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.13 1y8b n PRO 679 Cb 0.54 -1.04 -0.10 0.00 -0.02 0.00 0.00 33.50 32.88 1y8b n PRO 679 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1y8b h MET 680 N -0.95 0.56 0.00 -0.52 4.05 -2.02 -3.42 114.93 112.63 1y8b h MET 680 Ca -0.44 -0.59 0.00 0.00 -0.28 0.00 0.00 59.70 58.40 1y8b h MET 680 Cb 1.31 0.16 0.00 0.00 -0.80 0.00 0.00 31.60 32.27 1y8b h MET 680 CO 0.25 1.21 -0.62 0.00 0.23 0.00 0.00 176.91 177.97 1y8b n ALA 681 N -2.61 2.28 0.00 0.39 0.00 -1.26 -5.05 120.51 114.26 1y8b n ALA 681 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1y8b n ALA 681 Cb 0.76 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.52 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 2.66 -0.88 0.09 0.00 0.00 -1.26 -5.04 105.19 100.75 1y8b n GLY 682 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 46.02 46.21 1y8b n GLY 682 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1y8b h ASN 683 N 0.00 0.00 0.02 1.61 -0.00 -1.96 -3.25 115.58 112.00 1y8b h ASN 683 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.29 1y8b h ASN 683 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1y8b h ASN 683 CO 0.00 0.84 -0.02 0.15 -0.00 0.00 0.00 177.43 178.40 1y8b h PHE 684 N 0.00 0.00 0.00 0.67 3.04 -1.99 0.69 116.94 119.35 1y8b h PHE 684 Ca -0.06 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1y8b h PHE 684 Cb 1.69 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1y8b h PHE 684 CO 0.00 0.03 0.00 0.00 -2.02 0.00 0.00 178.31 176.32 1y8b n ALA 685 N -2.53 1.74 1.46 2.41 0.00 -1.23 -2.16 120.51 120.20 1y8b n ALA 685 Ca -0.03 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.45 1y8b n ALA 685 Cb 0.11 -1.14 0.54 0.00 0.00 0.00 0.00 19.45 18.96 1y8b n ALA 685 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1y8b n ASN 686 N -1.10 0.00 -4.66 0.00 4.13 0.23 -4.72 115.26 109.14 1y8b n ASN 686 Ca 0.06 -0.89 -0.43 0.00 1.68 0.00 0.00 54.58 55.00 1y8b n ASN 686 Cb 0.04 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.26 1y8b n ASN 686 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1y8b s SER 687 N -1.84 7.11 0.31 6.41 1.04 -0.92 -4.88 113.70 120.93 1y8b s SER 687 Ca 0.27 1.42 0.25 0.00 0.48 0.00 0.00 55.95 58.38 1y8b s SER 687 Cb 0.13 -2.54 1.10 0.00 0.10 0.00 0.00 66.02 64.80 1y8b s SER 687 CO 0.21 -0.65 1.75 0.00 0.98 0.00 0.00 173.24 175.53 1y8b h ALA 689 N 2.18 2.14 0.16 0.00 0.00 -1.95 0.97 119.26 122.76 1y8b h ALA 689 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 1y8b h ALA 689 Cb 0.30 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1y8b h ALA 689 CO 0.00 -0.95 -1.30 0.74 0.00 0.00 0.00 179.25 177.74 1y8b h PHE 690 N 0.00 0.87 0.02 0.00 -1.00 -1.90 -3.29 116.94 111.63 1y8b h PHE 690 Ca 0.19 -0.58 -0.21 0.00 2.81 0.00 0.00 57.97 60.18 1y8b h PHE 690 Cb 1.68 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.17 1y8b h PHE 690 CO 0.00 1.44 -0.94 0.87 -1.61 0.00 0.00 178.31 178.06 1y8b h LYS 691 N 0.19 0.16 -0.06 1.51 1.79 0.63 -3.08 116.57 117.71 1y8b h LYS 691 Ca -0.19 -0.20 0.02 0.00 -2.18 0.00 0.00 60.65 58.10 1y8b h LYS 691 Cb 1.99 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 32.70 1y8b h LYS 691 CO 0.24 0.99 0.14 0.00 -1.08 0.00 0.00 179.45 179.73 1y8b h ALA 692 N 0.94 1.39 0.00 3.86 0.00 -0.98 0.27 119.26 124.74 1y8b h ALA 692 Ca -0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1y8b h ALA 692 Cb 1.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1y8b h ALA 692 CO 0.14 -0.17 -0.23 0.00 0.00 0.00 0.00 179.25 178.99 1y8b h ALA 693 N 1.78 0.94 -0.01 0.00 0.00 -1.61 -3.15 119.26 117.22 1y8b h ALA 693 Ca 0.03 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.47 1y8b h ALA 693 Cb 0.30 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.07 1y8b h ALA 693 CO -0.00 0.29 -1.00 0.66 0.00 0.00 0.00 179.25 179.20 1y8b h SER 694 N 0.00 0.89 -0.63 0.00 4.64 -0.61 -3.09 113.55 114.75 1y8b h SER 694 Ca -0.00 -0.74 0.18 0.00 -0.47 0.00 0.00 61.79 60.77 1y8b h SER 694 Cb 0.91 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.70 1y8b h SER 694 CO 0.03 1.51 0.68 0.44 -0.87 0.00 0.00 176.83 178.62 1y8b h ASP 695 N 0.36 0.00 0.34 4.97 3.32 -1.49 0.29 116.42 124.20 1y8b h ASP 695 Ca -0.12 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 1y8b h ASP 695 Cb 1.66 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.18 1y8b h ASP 695 CO 0.20 0.00 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.25 1y8b h LEU 696 N 0.00 -1.09 0.13 1.55 -0.00 -1.66 -1.65 115.31 112.59 1y8b h LEU 696 Ca 0.30 0.10 -0.26 0.00 -0.00 0.00 0.00 57.88 58.02 1y8b h LEU 696 Cb 1.66 0.37 0.01 0.00 -0.00 0.00 0.00 40.66 42.70 1y8b h LEU 696 CO -0.00 -0.53 -1.27 0.40 -0.00 0.00 0.00 178.44 177.04 1y8b h ILE 697 N -0.77 1.17 -1.12 1.22 5.03 -1.39 -0.20 117.51 121.45 1y8b h ILE 697 Ca -0.02 -2.46 0.33 0.00 -0.12 0.00 0.00 64.86 62.59 1y8b h ILE 697 Cb 0.71 2.86 -0.12 0.00 -3.03 0.00 0.00 36.82 37.25 1y8b h ILE 697 CO -0.10 0.72 0.70 0.15 -0.68 0.00 0.00 178.15 178.94 1y8b h PHE 698 N -0.29 0.68 0.00 1.37 3.57 -1.03 -2.12 116.94 119.12 1y8b h PHE 698 Ca -0.26 0.03 -0.44 0.00 3.53 0.00 0.00 57.97 60.82 1y8b h PHE 698 Cb 1.76 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 40.25 1y8b h PHE 698 CO 0.14 -0.06 -2.51 1.28 -2.23 0.00 0.00 178.31 174.94 1y8b n LEU 699 N -4.74 2.14 0.11 0.59 4.32 -0.62 -4.26 117.00 114.54 1y8b n LEU 699 Ca 0.30 0.23 0.02 0.00 -0.02 0.00 0.00 56.01 56.55 1y8b n LEU 699 Cb 1.06 -0.82 0.12 0.00 -1.62 0.00 0.00 43.42 42.16 1y8b n LEU 699 CO 0.21 0.64 0.69 0.61 -1.22 0.00 0.00 177.39 178.32 1y8b n GLY 700 N 1.50 -0.34 0.12 -0.72 0.00 -0.09 -0.20 105.19 105.47 1y8b n GLY 700 Ca -0.52 0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.66 1.61 -0.97 1.61 0.24 -0.82 -4.26 118.33 114.08 1y8b n VAL 701 Ca -0.00 -0.28 0.02 0.00 -2.04 0.00 0.00 64.34 62.04 1y8b n VAL 701 Cb 0.49 -1.91 0.36 0.00 -1.47 0.00 0.00 33.84 31.31 1y8b n VAL 701 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1y8b n LYS 702 N -4.08 4.39 -3.02 7.34 2.85 0.73 -4.92 118.16 121.45 1y8b n LYS 702 Ca -0.35 -3.14 -0.41 0.00 -1.05 0.00 0.00 58.31 53.37 1y8b n LYS 702 Cb 0.83 -2.24 -0.05 0.00 -0.65 0.00 0.00 35.03 32.91 1y8b n LYS 702 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1y8b s GLN 703 N -2.87 4.16 0.08 -1.58 -1.52 0.60 -5.00 119.66 113.54 1y8b s GLN 703 Ca 0.55 0.72 -0.37 0.00 -1.95 0.00 0.00 55.36 54.32 1y8b s GLN 703 Cb 0.43 -3.63 -0.18 0.00 -0.22 0.00 0.00 33.01 29.41 1y8b s GLN 703 CO 0.15 -0.42 1.16 -2.30 -0.25 0.00 0.00 175.29 173.63 1y8b n PRO 704 N 5.67 0.68 -0.72 2.91 -0.02 -1.26 0.12 135.00 142.39 1y8b n PRO 704 Ca 0.02 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1y8b n PRO 704 Cb 0.49 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1y8b n PRO 704 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1y8b n ASN 705 N 2.04 -3.91 0.00 2.55 2.85 -1.26 -2.01 115.26 115.51 1y8b n ASN 705 Ca 0.18 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1y8b n ASN 705 Cb 0.17 -2.71 0.00 0.00 1.24 0.00 0.00 39.78 38.48 1y8b n ASN 705 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1y8b n GLY 706 N 0.42 0.75 3.42 8.20 0.00 0.33 -4.60 105.19 113.71 1y8b n GLY 706 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.41 1y8b n GLY 706 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1y8b n TYR 707 N -1.92 1.41 1.51 1.61 4.01 -0.85 -4.74 117.16 118.20 1y8b n TYR 707 Ca 0.00 0.79 0.08 0.00 -0.16 0.00 0.00 57.90 58.61 1y8b n TYR 707 Cb 0.00 -2.31 0.33 0.00 -0.31 0.00 0.00 39.34 37.04 1y8b n TYR 707 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1y8b n THR 708 N 5.84 0.16 0.01 -0.72 -2.24 -1.26 -4.26 114.28 111.82 1y8b n THR 708 Ca 0.46 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1y8b n THR 708 Cb -0.00 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.24 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 1.17 -0.54 -0.24 -0.78 4.39 -1.98 -2.16 114.58 114.43 1y8b h GLU 709 Ca 0.00 0.04 -0.10 0.00 0.34 0.00 0.00 59.36 59.64 1y8b h GLU 709 Cb 0.26 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1y8b h GLU 709 CO 0.00 -0.36 -0.27 -1.00 -1.16 0.00 0.00 179.01 176.22 1y8b h PRO 710 N -0.57 0.48 -0.23 2.33 0.13 -1.96 -2.56 132.00 129.63 1y8b h PRO 710 Ca 0.05 -0.18 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 1y8b h PRO 710 Cb 0.67 -0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 1y8b h PRO 710 CO -0.40 0.71 -0.31 1.25 -0.23 0.00 0.00 178.00 179.02 1y8b h LEU 711 N 0.42 -1.04 0.05 1.56 5.85 -1.62 2.32 115.31 122.85 1y8b h LEU 711 Ca 0.06 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 1y8b h LEU 711 Cb 0.69 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1y8b h LEU 711 CO 0.05 -0.23 -0.03 -0.07 -0.34 0.00 0.00 178.44 177.83 1y8b h LEU 712 N -0.23 -0.06 -2.49 2.25 3.38 -1.60 -2.73 115.31 113.84 1y8b h LEU 712 Ca 0.04 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1y8b h LEU 712 Cb 0.33 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 1y8b h LEU 712 CO -0.33 0.42 0.17 0.45 0.09 0.00 0.00 178.44 179.24 1y8b h HIS 713 N -0.56 0.00 0.11 1.13 3.86 -1.20 0.31 115.15 118.79 1y8b h HIS 713 Ca -0.01 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1y8b h HIS 713 Cb 0.49 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1y8b h HIS 713 CO 0.09 0.00 -0.05 0.00 0.86 0.00 0.00 177.93 178.82 1y8b h ALA 714 N 1.66 -0.14 -0.31 2.45 0.00 0.42 -2.59 119.26 120.75 1y8b h ALA 714 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1y8b h ALA 714 Cb 0.34 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y8b h ALA 714 CO -0.00 -0.14 -0.12 -1.49 0.00 0.00 0.00 179.25 177.50 1y8b h TRP 715 N -1.02 0.72 0.30 0.00 4.06 -1.19 -1.62 115.95 117.21 1y8b h TRP 715 Ca -0.01 -0.17 0.00 0.00 2.06 0.00 0.00 58.89 60.77 1y8b h TRP 715 Cb 0.27 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 28.22 1y8b h TRP 715 CO 0.04 0.84 -0.45 0.00 -3.56 0.00 0.00 178.44 175.31 1y8b h ARG 716 N 0.39 -0.78 -0.59 0.49 2.47 -0.55 2.35 114.38 118.17 1y8b h ARG 716 Ca 0.07 0.05 0.07 0.00 -1.26 0.00 0.00 59.98 58.92 1y8b h ARG 716 Cb 0.63 0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 29.09 1y8b h ARG 716 CO 0.04 -0.52 0.39 1.25 0.56 0.00 0.00 179.97 181.69 1y8b h LEU 717 N -0.80 0.45 0.00 3.04 5.85 -1.47 0.60 115.31 122.97 1y8b h LEU 717 Ca -0.02 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 1y8b h LEU 717 Cb 0.75 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1y8b h LEU 717 CO -0.15 0.29 -1.01 -0.09 -0.34 0.00 0.00 178.44 177.14 1y8b h ARG 718 N 0.51 0.00 0.01 1.25 2.43 -0.19 -2.82 114.38 115.57 1y8b h ARG 718 Ca 0.26 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.17 1y8b h ARG 718 Cb 0.36 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1y8b h ARG 718 CO -0.08 0.91 -1.03 1.49 -1.51 0.00 0.00 179.97 179.76 1y8b h GLU 719 N 0.00 0.60 0.04 0.20 4.57 0.53 -2.74 114.58 117.77 1y8b h GLU 719 Ca -0.03 -0.65 -0.25 0.00 -1.18 0.00 0.00 59.36 57.25 1y8b h GLU 719 Cb 1.75 0.19 0.01 0.00 -0.16 0.00 0.00 28.75 30.54 1y8b h GLU 719 CO 0.12 1.26 -1.04 1.57 -1.18 0.00 0.00 179.01 179.74 1y8b h LYS 720 N 0.33 0.42 0.00 1.92 2.10 -1.04 -3.17 116.57 117.13 1y8b h LYS 720 Ca -0.12 -0.51 -0.03 0.00 -2.00 0.00 0.00 60.65 57.99 1y8b h LYS 720 Cb 1.68 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 33.16 1y8b h LYS 720 CO 0.19 1.17 -0.15 1.05 -2.00 0.00 0.00 179.45 179.71 1y8b h GLU 721 N 0.21 0.00 0.00 0.07 4.11 -1.58 -2.59 114.58 114.80 1y8b h GLU 721 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.32 1y8b h GLU 721 Cb 1.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.95 1y8b h GLU 721 CO 0.18 0.15 0.00 0.66 0.07 0.00 0.00 179.01 180.08 1y8b h SER 722 N 0.00 0.00 0.00 3.06 4.64 -1.45 -3.51 113.55 116.29 1y8b h SER 722 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y8b h SER 722 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 1y8b h SER 722 CO 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.98