NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4631 8.1749 117.3744 63.4700 70.0379 172.8419 2 S 4.6494 10.0392 122.9729 54.9618 66.1892 171.6409 3 I 5.2227 8.1265 117.7244 60.0586 41.0677 173.5770 4 M 4.7837 8.6479 118.7448 54.5630 34.8241 173.1836 5 A 5.1319 8.5175 121.1193 50.2591 22.1801 175.4963 6 V 4.5324 8.8645 122.4644 61.1539 34.7624 174.4990 7 T 4.9609 8.6820 118.0669 60.2975 70.3981 173.8431 8 F 5.1445 8.6947 120.9174 54.9220 40.8115 174.5339 9 K 3.7885 9.2186 120.4665 60.4130 31.7041 178.1708 10 D 4.5594 7.4583 114.3478 54.2696 42.5813 175.7952 11 G 4.3208 5.3800 111.8665 44.5509 0.0000 176.3073 12 V 5.2147 8.0362 120.4083 60.3286 33.9631 172.9328 13 I 4.7145 8.9511 121.6111 59.6083 41.1504 174.2289 14 L 5.1020 8.5736 125.3415 53.0220 43.9608 176.0239 15 G 4.3466 8.9304 109.4077 44.8690 0.0000 171.0671 16 A 5.6586 8.4190 120.3094 52.0096 22.1457 176.2240 17 D 4.8140 8.4803 119.4113 52.1921 42.4706 176.3978 18 S 4.8778 8.3703 112.4686 58.5425 64.5017 172.8307 19 R 5.1606 8.7975 121.1098 55.5746 31.9561 175.1096 20 T 4.8707 8.8791 116.1809 60.0616 71.8317 172.9107 21 T 5.0805 8.5334 113.9130 60.2029 72.5723 173.8802 22 T 4.4398 9.0355 114.3956 60.9315 69.7725 173.9525 23 G 4.0264 8.5142 119.8369 46.0981 0.0000 172.6009 24 A 4.4485 8.5118 126.5924 51.9411 19.7541 176.1882 25 Y 4.3482 7.5557 117.9167 56.5482 39.4974 174.6810 26 I 4.1608 7.4565 128.1530 60.0090 36.5856 175.4438 27 A 4.1262 8.2143 129.9410 54.4794 18.6389 177.6309 28 N 4.9137 7.8951 112.7050 52.2415 42.0234 174.5510 29 R 4.7791 8.6322 119.9745 56.1082 30.1996 175.9678 30 V 4.6094 7.3340 111.3055 61.5886 32.2456 176.1095 31 T 4.0557 8.2409 116.4637 63.7817 69.4137 174.6925 32 D 4.8241 8.5922 124.2414 52.7634 42.1704 175.6567 33 K 4.3403 8.6990 124.5006 56.8532 33.5764 176.3037 34 L 4.9223 8.2036 121.5998 53.9088 42.5017 176.0039 35 T 4.5997 8.9777 121.7259 61.5893 71.3516 173.6930 36 R 3.4266 7.8873 125.9523 55.0069 30.5054 176.2825 37 V 4.1968 7.9029 118.2730 61.4170 33.3656 174.5232 38 H 4.5605 7.4938 117.8109 55.1915 32.5499 173.7694 39 D 4.5388 8.5443 122.3591 57.3317 40.6197 179.2737 40 K 5.0665 8.1089 117.2188 56.1479 33.9796 175.7081 41 I 5.1817 8.2031 120.6764 59.7633 40.9909 174.9471 42 W 5.5173 9.7599 126.7386 55.0912 33.7787 173.8017 43 C 5.2967 9.5843 114.5239 57.4951 33.1760 172.5907 44 C 5.1333 9.1737 118.2227 58.3084 30.0672 172.9832 45 R 4.9828 8.5412 123.5061 54.6792 30.9741 176.1403 46 S 4.5703 8.9221 117.7882 56.8283 66.5786 172.0804 47 G 4.2463 9.0959 106.4376 44.4279 0.0000 175.7783 48 S 4.2377 10.0948 121.9696 57.3731 62.8195 174.1972 49 A 3.9690 8.9125 129.9346 55.3251 18.2894 178.8211 50 A 3.9564 8.0764 118.5879 55.7500 18.3606 179.2263 51 D 4.2863 8.5760 117.7189 57.6790 40.8752 178.8874 52 T 3.9529 8.3713 110.4166 65.1616 68.5567 176.0111 53 Q 4.0509 8.5443 121.0501 58.6621 28.8274 178.8654 54 A 3.9889 7.9120 121.3422 55.2393 18.4267 179.5677 55 I 3.6151 8.1753 118.4124 64.5126 37.1921 178.3428 56 A 4.0002 8.8325 121.9100 55.5154 18.3874 179.0620 57 D 4.3683 8.4413 117.5813 58.0591 40.9635 179.6850 58 I 3.8076 7.8353 119.9072 64.0992 36.9687 178.7552 59 V 3.4087 7.5544 119.2620 65.8940 31.3015 177.6260 60 Q 4.0668 8.3043 119.7871 59.4717 28.8874 177.9105 61 Y 4.0070 7.9249 119.9759 61.1647 38.8073 177.8395 62 H 3.8093 8.3215 116.9390 58.8870 28.7508 177.9062 63 L 3.9830 8.2329 121.0356 57.5628 41.3200 179.1352 64 E 3.9577 8.1604 119.5619 59.0194 29.4428 178.5910 65 L 3.8734 7.6107 120.2560 57.7887 42.0335 178.1156 66 Y 4.0666 8.1339 119.8058 60.9566 38.5136 178.2753 67 T 4.6449 8.0895 117.1306 66.5186 68.7056 176.4253 68 S 4.1562 7.5508 115.2089 61.3434 62.8200 176.2748 69 Q 3.9133 7.1820 118.9774 57.1714 28.6766 176.4073 70 Y 4.4521 7.5526 116.0102 57.6193 39.3290 175.4499 *72 G 3.9450 7.5935 109.0315 45.2909 0.0000 172.2352 73 T 4.2031 8.6046 115.1539 63.7221 68.7366 172.2475 74 P 4.6801 0.0000 0.0000 61.6386 33.0258 176.5308 75 S 4.3863 8.1221 115.0955 58.4472 65.1919 175.5301 76 T 3.9098 8.3752 119.7400 66.7196 68.1848 176.5106 77 E 3.9358 8.1072 120.9943 59.5686 29.6012 178.8920 78 T 3.8179 7.8136 115.6734 66.2047 68.4472 176.5992 79 A 3.9105 7.9094 122.5019 55.2746 18.4298 179.5781 80 A 4.1304 8.1537 119.2162 55.2124 18.2936 179.8527 81 S 4.0001 8.0039 111.7846 61.6026 62.5627 176.5222 82 V 3.5120 7.9686 121.1055 65.9337 31.2166 177.8820 83 F 3.9939 8.2670 117.4649 60.5356 38.8353 177.5273 84 K 4.0313 8.4270 119.2929 59.4358 32.0981 178.2131 85 E 3.9941 8.4776 119.7796 59.3900 29.6507 178.9638 86 L 4.0146 7.8035 118.2846 58.1370 41.5332 179.3202 87 C 4.2372 8.0537 115.3069 62.8369 28.2713 175.3891 88 Y 4.2360 8.7461 121.4205 60.7329 38.3369 177.2926 89 E 3.8860 8.1187 118.6931 58.3710 28.5554 176.7921 90 N 5.0299 7.9332 116.0697 52.3487 39.3060 176.7175 91 K 4.2532 7.7566 120.7966 60.1288 32.9678 178.7653 92 D 4.3102 7.5244 118.6878 57.0111 40.8357 177.5208 *94 N 5.1176 7.8828 114.1094 52.6334 40.0140 173.7216 95 L 5.0992 7.5606 115.5609 53.5182 45.4501 177.0177 96 T 4.6991 8.6609 117.1754 61.5781 70.3084 171.5993 97 A 5.0044 8.3130 125.2431 50.2081 22.7425 175.2947 98 G 4.1396 9.4416 110.1555 43.6272 0.0000 172.0383 99 I 4.8478 8.3927 126.3301 59.3022 40.3657 175.1638 100 I 4.3401 8.2298 126.7455 59.5784 39.4287 174.5602 101 V 4.7208 8.3249 127.0605 61.1278 33.2810 174.7773 102 A 4.7648 9.3344 129.2386 50.3934 22.3024 175.1069 103 G 4.7449 8.7325 108.0848 44.1384 0.0000 170.9931 104 Y 4.6137 9.0635 121.5331 55.6198 40.7810 175.0766 105 D 4.3398 7.9746 125.1422 54.1980 41.4358 175.5937 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 T 8.17 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 2 S 10.04 4.65 0.00 3.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.13 5.22 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.92 0.00 0.00 4 M 8.65 4.78 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 5 A 8.52 5.13 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.86 4.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.93 0.00 0.00 7 T 8.68 4.96 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 F 8.69 5.14 0.00 3.27 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.22 3.79 0.00 1.80 2.04 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 10 D 7.46 4.56 0.00 2.57 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 5.38 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.04 5.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.06 0.00 0.00 13 I 8.95 4.71 1.80 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.82 0.00 0.00 14 L 8.57 5.10 0.00 1.42 1.57 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.93 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.42 5.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.48 4.81 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.37 4.88 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.80 5.16 0.00 1.77 1.97 0.00 3.17 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 20 T 8.88 4.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 21 T 8.53 5.08 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 22 T 9.04 4.44 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 G 8.51 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.51 4.45 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.56 4.35 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.46 4.16 1.56 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.52 0.85 0.00 0.00 27 A 8.21 4.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.90 4.91 0.00 2.82 2.59 0.00 0.00 6.80 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.63 4.78 0.00 1.89 1.91 0.00 2.99 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 30 V 7.33 4.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.99 0.00 0.00 31 T 8.24 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 32 D 8.59 4.82 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.70 4.34 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.49 7.81 34 L 8.20 4.92 0.00 1.89 1.91 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.98 4.60 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 36 R 7.89 3.43 0.00 0.67 1.13 0.00 3.06 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 37 V 7.90 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.06 0.00 0.00 38 H 7.49 4.56 0.00 3.13 3.15 0.00 5.90 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.54 4.54 0.00 2.68 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.11 5.07 0.00 1.85 1.98 0.00 1.79 0.00 0.00 2.10 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.20 5.18 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 1.04 0.00 0.00 42 W 9.76 5.52 0.00 3.23 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 9.58 5.30 0.00 2.74 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 9.17 5.13 0.00 2.82 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.54 4.98 0.00 1.73 1.88 0.00 3.16 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 46 S 8.92 4.57 0.00 3.78 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 10.09 4.24 0.00 3.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.91 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.08 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.58 4.29 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.37 3.95 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 53 Q 8.54 4.05 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 54 A 7.91 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.18 3.62 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 1.07 0.00 0.00 56 A 8.83 4.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.44 4.37 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.84 3.81 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.01 0.98 0.00 0.00 59 V 7.55 3.41 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 -0.19 0.00 0.00 60 Q 8.30 4.07 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 61 Y 7.92 4.01 0.00 3.13 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.32 3.81 0.00 3.36 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.23 3.98 0.00 1.63 1.60 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.16 3.96 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 65 L 7.61 3.87 0.00 1.37 1.50 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.13 4.07 0.00 3.29 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.09 4.64 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 68 S 7.55 4.16 0.00 3.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.18 3.91 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.24 0.00 0.00 0.00 0.00 0.00 1.98 2.18 0.00 70 Y 7.55 4.45 0.00 2.27 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *72 G 7.59 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.60 4.20 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 74 P 0.00 4.68 0.00 1.76 1.39 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 75 S 8.12 4.39 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.38 3.91 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 77 E 8.11 3.94 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 78 T 7.81 3.82 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 79 A 7.91 3.91 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.15 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.00 4.00 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.97 3.51 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.82 0.00 0.00 83 F 8.27 3.99 0.00 3.31 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.43 4.03 0.00 1.83 2.13 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.56 7.81 85 E 8.48 3.99 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 86 L 7.80 4.01 0.00 1.93 1.72 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.05 4.24 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.75 4.24 0.00 2.95 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.12 3.89 0.00 2.36 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 90 N 7.93 5.03 0.00 2.97 2.74 0.00 0.00 6.61 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.76 4.25 0.00 1.88 2.20 0.00 1.18 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.34 1.32 7.81 92 D 7.52 4.31 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 N 7.88 5.12 0.00 2.73 2.87 0.00 0.00 7.05 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.56 5.10 0.00 1.63 1.54 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.66 4.70 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 97 A 8.31 5.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.44 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.39 4.85 1.57 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.34 0.00 0.00 100 I 8.23 4.34 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.90 0.00 0.00 101 V 8.32 4.72 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.55 0.00 0.00 102 A 9.33 4.76 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.73 4.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 9.06 4.61 0.00 2.97 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.97 4.34 0.00 2.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.