NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.6549 8.1776 115.5553 57.8224 65.1018 172.6871 4 S 4.1940 7.6341 112.0905 54.5246 66.3771 168.2203 5 V 4.4369 8.9379 120.3456 60.1304 35.5147 174.8890 6 D 5.1850 8.5442 121.7015 52.7221 42.8659 175.6626 7 I 4.7341 8.5926 124.2226 59.4757 40.9809 174.4996 8 Q 5.2566 9.7905 125.2001 54.0603 32.0624 174.7267 9 G 4.4868 9.1300 110.4850 44.6802 0.0000 172.3400 10 N 5.4763 8.2777 123.8851 51.4802 39.8692 174.7214 11 D 4.6630 8.5878 116.1176 56.2386 41.2547 176.8419 12 Q 4.3758 8.2064 117.9548 55.2162 28.9127 175.2010 13 M 3.0079 7.3955 114.1300 56.4824 31.2783 176.5502 14 Q 4.4789 7.5205 113.9606 54.0448 33.3189 175.2064 15 F 5.2564 8.4928 119.5105 56.9362 40.0929 175.8274 16 N 4.7233 8.7905 119.3346 54.3087 37.7321 175.1279 17 T 4.8042 7.7389 112.2852 60.9958 70.6438 172.3767 18 N 5.3323 8.8894 121.9082 52.7517 40.8820 173.5043 19 A 5.2039 8.1903 120.9875 51.1094 22.6409 176.5038 20 I 4.7546 9.2600 123.3980 59.7645 41.2983 174.7612 21 T 5.0029 8.5657 121.5149 61.7567 71.6062 173.2572 22 V 4.0671 8.6234 126.8343 60.7031 33.7993 174.3699 23 D 4.7356 8.6674 128.2552 53.7299 41.5884 176.1450 24 K 4.1514 8.6195 125.5572 58.5964 33.4777 177.5490 25 S 4.3451 10.0880 116.8506 57.4643 61.8361 173.5880 *27 K 4.4147 7.7124 124.4349 56.6573 34.9413 175.9328 28 Q 5.0383 7.9052 115.3724 54.0384 33.1419 174.5636 29 F 4.8543 8.4542 122.1409 56.7734 43.3026 173.3788 30 T 4.6964 7.3885 121.2454 61.5027 71.8762 172.8879 31 V 4.1722 8.5003 126.3809 60.9918 33.8951 173.7948 32 N 5.0599 8.6697 126.1136 51.5573 40.5779 173.5258 33 L 5.1951 8.9051 127.1227 53.3138 44.6626 175.2775 34 S 5.1998 8.9830 119.3512 57.0618 67.3736 172.4793 35 H 6.0315 8.4290 119.0792 52.4003 30.7294 170.8802 36 P 4.6547 0.0000 0.0000 62.5371 32.5113 174.4404 37 G 3.8394 8.7017 105.3443 44.6260 0.0000 172.7490 38 N 4.9544 9.4297 113.4182 52.4185 40.9590 175.1234 39 L 4.2179 7.9705 119.7493 53.4886 42.5458 175.0148 40 P 4.6960 0.0000 0.0000 61.7643 32.7046 176.8713 41 K 3.7817 8.8384 120.6856 59.8322 31.9590 178.3649 42 N 4.8167 8.2164 114.0621 54.6835 37.7686 175.5548 43 V 4.2587 7.7961 117.3516 64.0142 33.2572 175.3865 44 M 4.4347 7.8760 118.6616 54.2971 32.3343 175.1508 45 G 3.9176 6.7624 104.5428 45.9774 0.0000 173.6544 46 H 5.4553 9.3048 119.8238 53.8127 33.3086 172.2771 47 N 5.6679 9.0649 118.4090 50.8711 41.7967 172.4147 48 W 4.8477 9.2146 128.4546 55.6731 33.2649 174.1683 49 V 4.6411 8.0647 126.8876 60.7015 34.4963 173.6757 50 L 4.7782 8.1094 129.2457 53.1334 44.6651 175.2984 51 S 5.2279 8.7664 119.8178 56.9244 67.5517 173.4821 52 T 4.2210 8.5895 109.3065 61.0877 68.9559 175.1969 53 A 3.9587 8.5801 124.6548 55.4432 18.0518 180.1879 54 A 4.0006 7.8533 117.7158 54.6817 18.8447 178.5085 55 D 4.5567 7.8406 115.8615 55.1726 41.1961 178.1782 56 M 3.6026 7.4914 118.8949 58.7497 32.0549 177.7526 57 Q 3.8709 7.9394 119.0050 59.1566 29.2020 178.4095 58 G 3.5334 7.9192 106.2481 47.6053 0.0000 175.7415 59 V 3.6251 7.7347 120.6209 65.7421 31.5539 178.3334 60 V 3.5840 7.8556 118.1284 66.2615 31.4383 178.0341 61 T 3.8156 8.0557 115.6471 66.9849 68.1477 176.4987 62 D 4.6069 8.1191 119.2429 57.0816 41.0691 178.8008 63 G 4.0702 8.3229 108.2362 47.2027 0.0000 175.3452 64 M 3.9921 8.1126 119.6680 58.4737 32.3135 177.5663 65 A 4.2986 7.4853 116.4818 53.3671 18.7211 178.6877 66 S 4.3178 8.2582 113.7376 58.0570 63.3413 175.2882 67 G 3.8063 7.5949 106.5284 45.1592 0.0000 174.1370 68 L 3.0095 7.7729 121.8721 57.4096 42.2816 179.0913 69 D 4.3217 7.8549 116.7823 55.3692 39.5145 176.9055 70 K 4.3893 7.6179 118.2711 55.6897 32.3500 175.8522 71 D 4.4905 8.1946 116.6538 55.8377 38.9752 173.2005 72 Y 3.9790 7.5361 112.9870 58.7705 36.2057 170.8918 73 L 4.9341 7.6396 117.2543 52.6065 45.8875 176.7455 74 K 4.1385 8.5750 124.3176 54.9860 32.7024 174.3285 75 P 4.2953 0.0000 0.0000 64.0057 31.7581 175.5564 76 D 4.3864 8.8776 120.1036 55.0506 38.7075 173.1913 77 D 4.3661 7.7283 119.8760 54.4988 41.1065 177.2696 78 S 4.3553 8.6712 121.6570 60.3892 63.3088 175.2065 79 R 4.1435 8.1914 119.4228 57.2680 30.3160 176.5120 80 V 4.1019 7.4109 118.2618 62.1724 31.7126 175.5513 81 I 4.1058 8.5877 129.3161 64.0888 37.7847 176.3128 82 A 4.8266 7.6111 120.7123 51.5138 22.3242 174.8908 83 H 5.5581 8.5550 113.9662 54.9332 31.4663 173.3932 84 T 4.6434 8.6511 111.6250 60.5434 70.8362 173.9308 85 K 4.5010 9.3133 122.1955 56.0917 34.2452 176.1599 86 L 4.7889 8.7433 123.6410 54.6041 42.5961 175.8524 87 I 4.8182 9.2200 119.9938 59.3004 41.4683 175.1721 88 G 4.4773 9.1132 111.6786 44.1473 0.0000 172.9356 89 S 4.3357 7.8679 114.6937 59.5589 63.1287 175.1953 90 G 3.9152 8.9021 111.3608 45.6113 0.0000 173.1049 91 E 4.6976 7.7905 119.0391 54.8136 31.7229 174.7535 92 K 5.1154 8.0796 118.0783 55.3979 36.4268 175.1386 93 D 4.8275 8.9995 121.1417 53.4212 45.2618 173.9566 94 S 5.2698 8.4791 116.9922 56.7644 67.1917 173.9109 95 V 4.5886 8.7103 121.2607 60.3599 34.9025 174.2554 96 T 5.1683 8.6138 119.1449 61.7703 71.4062 173.2056 97 F 5.1299 8.5387 119.9527 54.9417 42.3025 173.7285 98 D 4.9985 8.7918 120.1803 53.8417 41.5200 177.7195 99 V 3.6802 8.8596 125.2649 65.6080 31.6262 176.0766 100 P 4.4183 0.0000 0.0000 64.3368 31.1904 177.2670 101 K 4.1894 8.0648 117.4470 57.9332 32.2870 177.0219 102 L 4.5613 7.9428 119.1131 52.9576 43.2975 175.8074 103 K 4.6444 9.0608 121.5908 54.1787 34.0179 175.9133 104 E 4.0670 8.6660 124.5173 57.7733 30.0063 177.0742 105 G 3.9621 9.0843 114.0999 45.1382 0.0000 172.7935 106 E 4.2766 7.5092 119.8188 54.8211 31.1258 174.5880 107 Q 4.4525 8.0520 124.9637 54.9565 30.7897 173.8752 108 Y 5.1382 8.4114 124.0276 56.5758 41.5879 174.6506 109 M 5.4753 9.1485 120.5648 53.5900 36.3941 174.5641 110 F 4.9414 8.3059 117.5163 55.3656 41.1849 174.2027 111 F 5.7316 7.7315 113.9437 57.5370 41.6162 171.8455 112 C 5.5471 9.2503 119.9892 57.6427 32.4899 173.3022 113 T 4.5164 9.2187 115.2949 61.2064 69.2787 174.8016 114 F 3.4583 8.0841 125.6535 57.5182 39.7943 172.1635 115 P 3.9987 0.0000 0.0000 64.5105 31.4331 176.4604 116 G 4.1113 8.9440 111.8933 45.9691 0.0000 174.9495 117 H 4.2928 8.5399 117.4881 58.6784 28.8085 177.6804 118 S 4.4979 8.1145 112.4403 60.2969 63.0541 175.0140 119 A 4.1197 7.7239 123.9389 54.5466 18.1899 178.1708 120 L 4.6076 7.7519 112.7939 55.7077 44.6276 177.0486 121 M 4.4605 8.2048 120.7666 53.1904 30.2688 175.4079 122 K 5.0810 7.9125 118.9958 55.9975 36.2656 175.6292 123 G 3.6453 7.9327 107.6387 45.8426 0.0000 172.0478 124 T 5.1503 8.6237 110.5854 59.9889 71.7362 173.5068 125 L 5.9632 9.1609 124.1147 52.8521 45.7727 175.1929 126 T 4.9388 8.5304 114.6065 59.9734 72.8055 171.9696 127 L 5.0364 8.6308 125.0476 53.6662 43.6046 176.2458 128 K 4.3122 8.6961 124.9558 56.6211 32.5995 176.1262 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 3 S 8.18 4.65 0.00 3.88 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.63 4.19 0.00 3.62 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.94 4.44 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.86 0.00 0.00 6 D 8.54 5.18 0.00 2.48 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.59 4.73 1.60 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.74 0.77 0.00 0.00 8 Q 9.79 5.26 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 9 G 9.13 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.28 5.48 0.00 2.96 3.00 0.00 0.00 6.57 8.95 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 11 D 8.59 4.66 0.00 2.70 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 12 Q 8.21 4.38 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 13 M 7.40 3.01 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 14 Q 7.52 4.48 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 15 F 8.49 5.26 0.00 3.24 3.08 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 0.00 0.00 0.00 0.00 16 N 8.79 4.72 0.00 2.91 3.01 0.00 0.00 6.61 7.46 0.00 0.00 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 T 7.74 4.80 4.31 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 1.26 0.00 0.00 18 N 8.89 5.33 0.00 2.79 2.79 0.00 0.00 6.65 7.70 0.00 0.00 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 A 8.19 5.20 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 20 I 9.26 4.75 2.04 0.00 0.00 0.51 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 1.11 0.93 0.00 0.00 21 T 8.57 5.00 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 1.22 0.00 0.00 22 V 8.62 4.07 1.89 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 0.58 0.00 0.00 0.18 0.00 0.00 23 D 8.67 4.74 0.00 2.68 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 4.15 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 25 S 10.09 4.35 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 K 7.71 4.41 0.00 1.88 1.86 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.48 7.81 28 Q 7.91 5.04 0.00 1.83 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 29 F 8.45 4.85 0.00 2.57 1.72 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 30 T 7.39 4.70 3.85 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 0.00 0.00 0.00 0.98 0.00 0.00 31 V 8.50 4.17 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 -0.18 0.00 0.00 0.03 0.00 0.00 32 N 8.67 5.06 0.00 2.66 2.60 0.00 0.00 6.06 7.57 0.00 0.00 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 L 8.91 5.20 0.00 1.68 1.52 1.19 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.98 5.20 0.00 3.92 3.91 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 0.00 0.00 0.00 35 H 8.43 6.03 0.00 3.38 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.65 0.00 2.02 2.01 0.00 3.99 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 37 G 8.70 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.43 4.95 0.00 2.59 2.79 0.00 0.00 7.01 8.11 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 39 L 7.97 4.22 0.00 1.76 1.53 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.70 0.00 2.22 2.16 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 41 K 8.84 3.78 0.00 1.84 1.93 0.00 1.95 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.59 7.81 42 N 8.22 4.82 0.00 2.98 3.03 0.00 0.00 5.81 7.68 0.00 0.00 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 V 7.80 4.26 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 0.80 0.00 0.00 0.97 0.00 0.00 44 M 7.88 4.43 0.00 1.83 1.82 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 45 G 6.76 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 H 9.30 5.46 0.00 3.15 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.06 5.67 0.00 2.98 3.11 0.00 0.00 5.65 8.88 0.00 0.00 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 W 9.21 4.85 0.00 3.40 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 49 V 8.06 4.64 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.92 0.00 0.00 50 L 8.11 4.78 0.00 0.86 1.19 0.87 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.77 5.23 0.00 4.08 4.08 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 0.00 0.00 0.00 0.00 52 T 8.59 4.22 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 53 A 8.58 3.96 1.27 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 0.00 0.00 54 A 7.85 4.00 1.26 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 0.00 0.00 0.00 55 D 7.84 4.56 0.00 2.90 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 56 M 7.49 3.60 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.96 0.00 57 Q 7.94 3.87 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.92 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.73 3.63 2.33 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 1.32 0.00 0.00 1.05 0.00 0.00 60 V 7.86 3.58 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 0.98 0.00 0.00 0.64 0.00 0.00 61 T 8.06 3.82 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 D 8.12 4.61 0.00 2.76 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 63 G 8.32 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.11 3.99 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 65 A 7.49 4.30 1.33 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 0.00 0.00 0.00 66 S 8.26 4.32 0.00 4.05 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.77 3.01 0.00 1.60 1.54 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.85 4.32 0.00 2.77 2.74 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 70 K 7.62 4.39 0.00 1.70 1.77 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.49 7.81 71 D 8.19 4.49 0.00 2.84 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 3.98 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.93 0.00 1.66 1.49 0.72 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.58 4.14 0.00 1.80 1.71 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.43 7.81 75 P 0.00 4.30 0.00 2.08 1.97 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 76 D 8.88 4.39 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.73 4.37 0.00 2.86 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 78 S 8.67 4.36 0.00 4.03 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 79 R 8.19 4.14 0.00 1.97 2.15 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 80 V 7.41 4.10 2.23 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 0.80 0.00 0.00 0.96 0.00 0.00 81 I 8.59 4.11 1.67 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.70 0.00 0.00 82 A 7.61 4.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 H 8.56 5.56 0.00 3.16 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.65 4.64 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 85 K 9.31 4.50 0.00 1.99 1.93 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.46 7.81 86 L 8.74 4.79 0.00 1.84 1.87 1.25 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 87 I 9.22 4.82 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 1.04 0.00 0.00 88 G 9.11 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.34 0.00 4.07 3.73 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 90 G 8.90 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.70 0.00 2.26 1.89 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 2.26 2.26 0.00 92 K 8.08 5.12 0.00 1.57 1.64 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 93 D 9.00 4.83 0.00 2.79 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.48 5.27 0.00 3.67 3.58 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 95 V 8.71 4.59 2.13 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 0.98 0.00 0.00 1.08 0.00 0.00 96 T 8.61 5.17 4.20 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 1.15 0.00 0.00 97 F 8.54 5.13 0.00 3.11 3.14 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 98 D 8.79 5.00 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.86 3.68 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.85 0.00 0.00 100 P 0.00 4.42 0.00 2.11 2.12 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 101 K 8.06 4.19 0.00 2.03 1.88 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.47 7.81 102 L 7.94 4.56 0.00 1.65 1.38 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.06 4.64 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 104 E 8.67 4.07 0.00 1.96 1.89 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 2.32 2.34 0.00 105 G 9.08 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.51 4.28 0.00 1.80 1.95 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 1.85 1.47 0.00 107 Q 8.05 4.45 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 108 Y 8.41 5.14 0.00 3.11 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.15 5.48 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 110 F 8.31 4.94 0.00 1.51 2.34 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 0.00 111 F 7.73 5.73 0.00 3.16 3.15 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 0.00 112 C 9.25 5.55 0.00 3.03 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 0.00 113 T 9.22 4.52 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 114 F 8.08 3.46 0.00 3.13 2.53 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 0.00 0.00 0.00 0.00 115 P 0.00 4.00 0.00 1.68 1.74 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.38 0.00 116 G 8.94 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.54 4.29 0.00 3.40 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.11 4.50 0.00 3.90 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.72 4.12 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 0.00 120 L 7.75 4.61 0.00 1.67 1.65 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.20 4.46 0.00 1.10 1.92 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.13 0.00 122 K 7.91 5.08 0.00 1.68 1.76 0.00 1.54 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.39 7.81 123 G 7.93 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.62 5.15 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 125 L 9.16 5.96 0.00 2.07 1.70 1.18 0.43 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 0.00 126 T 8.53 4.94 4.31 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 1.28 0.00 0.00 127 L 8.63 5.04 0.00 1.68 1.67 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.70 4.31 0.00 1.64 1.64 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.