NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2505 8.1233 123.5761 52.4948 21.0862 179.0366 3 T 3.9144 8.0674 112.5069 66.6784 68.4923 173.6704 4 E 4.1152 8.5807 121.2043 61.8098 30.0965 181.2492 5 K 4.0608 7.8682 124.0502 59.9674 31.8518 180.6731 6 Y 4.2777 7.7891 118.0026 61.0588 37.7272 178.2426 7 H 4.1109 8.3102 117.3045 58.8944 28.7910 177.6334 8 E 3.9379 8.1108 120.2163 59.4166 29.2652 179.4081 9 I 3.5424 7.6363 119.7434 64.3617 37.1367 178.4930 10 L 3.2640 7.4799 119.3288 57.4636 41.2544 179.7521 11 K 4.0395 7.8796 118.4032 59.4207 31.8396 179.6185 12 K 3.9392 8.1456 118.8699 59.2264 31.6416 178.7697 13 Y 4.0218 7.5345 119.1823 60.7619 39.1443 177.8381 14 F 4.3929 7.8826 118.5744 60.7468 39.0150 177.8059 15 L 4.2251 8.4915 118.5769 57.6000 41.3580 179.6286 16 S 3.8584 7.6836 115.3725 61.0514 62.2245 176.2928 17 F 4.5195 7.9811 118.8831 59.7650 38.7237 176.5325 18 E 4.2604 8.2655 118.5361 58.5503 29.5322 177.7468 19 T 4.2731 7.9777 106.8750 60.8473 70.6063 175.3927 20 G 3.7523 8.6412 108.9651 45.1316 0.0000 172.3815 21 D 4.6403 7.5808 119.4023 52.8292 41.3077 175.6918 22 F 4.5374 8.6382 124.9950 57.1890 39.3302 178.2600 23 S 4.2743 8.4384 117.5645 61.0862 62.8215 175.2631 24 Q 4.1839 7.8962 117.6021 56.2571 28.9983 175.6370 25 V 3.6937 7.3155 118.6326 61.8863 32.3597 175.3085 26 Q 4.3124 8.2424 126.1247 55.3415 29.4256 174.4281 27 F 5.5051 8.5281 122.9297 55.3958 41.8485 175.9244 28 S 4.6820 9.3444 118.6326 58.1887 63.0351 174.9838 29 C 4.2873 9.2514 119.9969 60.7520 29.5132 174.2086 30 N 4.8426 8.0401 116.9236 52.7575 38.4057 174.5303 31 L 4.3833 7.7021 121.1643 56.2107 43.2349 175.9579 32 E 5.2772 9.3230 123.8611 54.6343 34.4975 174.2741 33 F 4.7175 8.8620 123.7634 56.3833 42.8619 173.4180 34 L 4.4354 7.5869 129.2571 53.3764 41.3988 175.9162 35 S 4.5077 8.2975 121.4252 57.2209 63.1218 173.4983 36 P 4.4171 0.0000 0.0000 64.8933 31.3057 177.2210 37 I 4.3673 7.4439 110.0896 60.0914 37.6902 175.1323 38 S 4.5504 7.5183 113.0449 57.3717 65.5153 174.7460 39 G 3.6490 8.7385 116.2729 48.5014 0.0000 173.9340 40 N 4.6162 7.7783 116.9157 51.9532 39.5574 175.1445 41 T 4.2087 8.1400 112.5008 61.7764 69.9159 173.8174 42 L 4.3769 8.9968 124.1345 54.5884 42.2367 175.9891 43 K 4.8137 9.4112 122.6532 55.7161 34.9526 177.1494 44 G 4.2908 9.5412 109.9502 46.8807 0.0000 174.2219 45 T 3.6211 8.2684 110.4324 64.5943 68.2773 176.2081 46 E 3.8677 8.1890 119.7982 58.9260 29.0310 178.4586 47 E 4.2231 7.4694 115.7545 57.9744 30.2880 178.6423 48 V 3.2276 7.8991 118.6024 65.9323 31.6354 178.1367 49 I 3.1728 7.4859 119.5073 63.8624 36.9272 176.6292 50 P 4.2170 0.0000 0.0000 65.3308 31.1843 178.3839 51 F 4.0254 7.5722 119.0580 61.3006 39.2639 177.1971 52 L 3.5566 7.6007 118.4969 57.5572 41.0747 179.5809 53 K 4.0152 7.9232 117.7861 59.3796 32.1114 179.2477 54 G 3.5972 7.7915 105.8481 47.7517 0.0000 175.8802 55 V 3.1527 7.1451 121.0577 65.6663 31.4678 178.1204 56 T 4.0795 8.1604 109.8513 65.0424 68.1789 176.1592 57 T 4.1150 7.6246 111.3876 63.5211 68.8111 175.0519 58 R 4.7324 8.0721 120.1998 54.8429 30.6798 174.7450 59 V 4.8888 7.8110 118.1177 61.2438 33.1942 175.3629 60 A 4.4236 9.1954 130.4575 54.2449 19.5084 176.5827 61 E 4.8542 7.5695 112.9116 55.4011 32.5946 174.8731 62 V 4.8021 8.4257 123.3732 61.1355 35.0252 174.0621 63 N 5.0554 9.3802 125.4801 52.0809 41.8035 173.5976 64 I 4.6819 8.5166 126.6508 59.9597 39.8147 174.9498 *66 S 4.5377 8.3060 117.4123 58.6545 64.6170 172.6308 67 T 5.3459 8.5063 109.9976 60.4287 71.7546 173.1558 68 T 4.8378 9.3670 120.3817 61.8855 72.6668 173.0936 69 V 4.6662 8.3943 124.5309 61.3799 34.6415 174.9823 70 E 4.5115 9.2383 128.2251 53.5444 29.7591 172.6834 71 Y 4.0330 8.3210 124.5915 57.4285 39.5718 174.5185 72 P 3.3213 0.0000 0.0000 62.6699 32.6433 175.3167 73 R 4.7802 8.0617 120.0299 55.6463 32.3387 175.1417 74 A 5.1434 8.3449 122.3181 51.4367 23.4684 175.1138 75 S 5.2607 9.4651 113.0156 57.7062 66.9773 173.5699 76 G 4.8240 9.4576 107.2877 45.2263 0.0000 171.6979 77 V 5.1755 8.5237 123.8999 60.8910 33.1942 174.8298 78 W 5.0436 8.8288 123.6201 56.2494 32.1591 172.4971 79 Q 4.6206 8.9383 117.3230 53.3569 32.8767 173.5932 *81 R 4.3598 8.4686 119.1707 56.9168 31.4142 176.5327 82 T 4.7258 8.4971 117.4368 61.4932 69.7321 175.6695 83 T 4.0338 9.3406 112.4740 63.8248 68.8710 175.8985 84 K 4.2104 7.8600 120.6955 56.6014 32.4858 177.4268 85 G 3.9539 8.1832 107.7187 45.1401 0.0000 173.9453 86 T 3.6501 7.6924 117.6098 62.8889 68.8227 173.4943 87 L 4.4069 7.9167 128.4132 53.6121 41.6902 174.9636 88 Y 4.5847 7.6756 124.2405 57.1193 39.5271 174.6914 89 T 4.8431 8.4067 119.4758 61.7323 71.6049 173.1372 90 L 4.6560 8.8435 125.6856 53.0650 45.6954 175.3332 91 H 5.5047 8.5447 120.6085 54.5664 30.9085 171.7640 92 N 4.8192 9.4598 123.1755 52.4510 40.1783 173.8368 93 F 4.8161 8.8520 125.8315 56.7858 41.5939 174.5001 94 F 5.2974 8.2578 123.7054 55.6892 43.1557 173.9757 95 R 4.9461 8.8467 120.2267 54.4153 33.1141 174.9921 96 L 5.2842 8.6933 122.0373 53.2540 45.3191 175.9681 97 D 4.9935 8.9838 119.4707 51.0677 42.1540 175.7146 98 E 4.2412 9.0481 116.9480 59.4070 29.5331 177.5092 99 E 4.4871 8.6102 116.9710 55.6665 31.1738 175.8674 100 G 4.2277 7.7713 105.1024 44.2718 0.0000 175.6103 101 I 4.6140 9.3923 128.0571 61.0470 37.5791 176.1165 102 V 4.4913 9.1745 126.1335 61.8169 34.1714 174.8422 103 Y 5.3822 7.9097 122.1946 56.1534 42.5635 173.5659 104 V 4.5816 8.0056 125.1190 60.8826 35.3294 174.0332 105 W 5.1576 9.0334 135.0000 54.9555 32.8567 172.5777 106 P 5.2391 0.0000 0.0000 61.4719 32.4360 175.6006 *108 F 4.5315 8.2985 117.5665 56.8913 39.9156 174.9438 109 D 4.4926 8.9826 125.0885 53.8881 41.4586 174.9402 110 P 4.4988 0.0000 0.0000 65.0831 32.1164 178.6578 111 K 3.9342 8.2666 118.2604 59.5404 31.9894 178.3527 112 A 4.0490 7.9774 119.5497 55.0596 18.3596 178.1841 113 V 4.0141 7.6523 114.7276 63.7462 31.1580 177.4613 *115 E 4.2956 8.1254 119.4244 55.9490 31.2822 176.1390 116 N 4.9630 7.7549 116.2492 50.4767 40.5035 172.3936 117 P 4.3809 0.0000 0.0000 65.5070 31.7786 177.3329 118 D 4.4110 8.2653 116.6116 57.4591 40.6833 178.6489 119 A 4.1761 8.0745 121.4117 54.9416 18.3051 179.5055 120 L 4.1279 7.8210 120.3659 57.9926 42.2420 179.0817 121 I 3.8109 7.7981 118.0903 64.2146 37.8756 177.6866 122 Q 4.4454 8.1048 120.0519 58.1160 28.3206 178.5448 123 W 3.9864 8.4791 128.6563 60.2919 30.9303 177.7997 124 L 3.7098 8.3042 118.4267 57.8681 41.2309 179.1384 125 T 4.2562 8.3039 107.9408 61.6981 69.3704 176.1523 126 G 3.8085 8.1435 108.4963 45.1853 0.0000 173.0795 127 K 4.1974 8.1055 122.3642 56.6162 32.7706 176.4037 128 D 4.4447 8.8113 124.4742 55.5177 38.4532 173.0845 129 Y 4.2824 8.1617 125.2839 57.8426 38.8391 175.0242 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 2 A 8.12 4.25 1.29 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 0.00 0.00 0.00 3 T 8.07 3.91 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 1.31 0.00 0.00 4 E 8.58 4.12 0.00 1.97 1.97 0.00 0.00 0.00 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 1.96 0.00 5 K 7.87 4.06 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.11 7.81 6 Y 7.79 4.28 0.00 3.16 2.94 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 7 H 8.31 4.11 0.00 3.35 3.33 0.00 5.62 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 8 E 8.11 3.94 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 9 I 7.64 3.54 1.91 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.51 0.74 0.00 0.00 10 L 7.48 3.26 0.00 1.58 1.05 0.50 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.88 4.04 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.66 7.81 12 K 8.15 3.94 0.00 1.83 1.76 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.51 7.81 13 Y 7.53 4.02 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.88 4.39 0.00 3.15 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.49 4.23 0.00 1.66 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.68 3.86 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.52 0.00 3.49 3.40 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 18 E 8.27 4.26 0.00 2.13 2.05 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 2.45 2.45 0.00 19 T 7.98 4.27 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 1.18 0.00 0.00 20 G 8.64 3.75 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 0.00 0.00 0.00 21 D 7.58 4.64 0.00 2.58 2.49 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 22 F 8.64 4.54 0.00 3.24 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.44 4.27 0.00 4.01 4.04 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 0.00 0.00 0.00 0.00 24 Q 7.90 4.18 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 25 V 7.32 3.69 1.83 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 -0.09 0.00 0.00 0.94 0.00 0.00 26 Q 8.24 4.31 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 27 F 8.53 5.51 0.00 3.01 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 28 S 9.34 4.68 0.00 4.20 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 29 C 9.25 4.29 0.00 3.15 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 30 N 8.04 4.84 0.00 2.80 2.91 0.00 0.00 6.90 7.22 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 31 L 7.70 4.38 0.00 2.04 1.54 1.16 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.32 5.28 0.00 2.15 1.82 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 2.26 2.50 0.00 33 F 8.86 4.72 0.00 2.95 2.71 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 34 L 7.59 4.44 0.00 1.08 0.93 0.69 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.30 4.51 0.00 3.71 3.57 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 36 P 0.00 4.42 0.00 2.20 2.23 0.00 3.96 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 37 I 7.44 4.37 1.87 0.00 0.00 0.97 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 0.49 0.96 0.00 0.00 38 S 7.52 4.55 0.00 3.74 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.74 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 40 N 7.78 4.62 0.00 2.66 2.71 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.14 4.21 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 1.17 0.00 0.00 42 L 9.00 4.38 0.00 1.55 1.52 0.51 0.64 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 43 K 9.41 4.81 0.00 1.62 1.67 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.49 7.81 44 G 9.54 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 0.00 0.00 0.00 0.00 45 T 8.27 3.62 4.12 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 0.00 0.00 0.00 1.00 0.00 0.00 46 E 8.19 3.87 0.00 2.14 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 0.00 2.32 2.32 0.00 47 E 7.47 4.22 0.00 2.03 1.94 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 2.21 2.31 0.00 48 V 7.90 3.23 1.79 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 0.63 0.00 0.00 0.89 0.00 0.00 49 I 7.49 3.17 1.83 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 -0.07 0.76 0.00 0.00 50 P 0.00 4.22 0.00 2.10 2.05 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 51 F 7.57 4.03 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.56 0.00 0.79 0.97 0.64 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.92 4.02 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.48 7.81 54 G 7.79 3.60 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 0.00 0.00 0.00 55 V 7.15 3.15 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 0.62 0.00 0.00 0.04 0.00 0.00 56 T 8.16 4.08 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 1.31 0.00 0.00 57 T 7.62 4.11 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 1.26 0.00 0.00 58 R 8.07 4.73 0.00 1.77 1.87 0.00 2.21 0.00 0.00 2.69 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.00 59 V 7.81 4.89 2.46 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 1.05 0.00 0.00 1.47 0.00 0.00 60 A 9.20 4.42 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 61 E 7.57 4.85 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 62 V 8.43 4.80 2.27 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 1.33 0.00 0.00 1.20 0.00 0.00 63 N 9.38 5.06 0.00 2.82 2.59 0.00 0.00 6.96 7.38 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 64 I 8.52 4.68 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 1.10 0.00 0.00 *66 S 8.31 4.54 0.00 3.99 4.09 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 67 T 8.51 5.35 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 1.37 0.00 0.00 68 T 9.37 4.84 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 1.27 0.00 0.00 69 V 8.39 4.67 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.64 0.00 0.00 70 E 9.24 4.51 0.00 1.99 1.76 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 2.21 2.25 0.00 71 Y 8.32 4.03 0.00 2.92 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 72 P 0.00 3.32 0.00 1.73 1.32 0.00 3.58 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 73 R 8.06 4.78 0.00 1.88 1.86 0.00 3.31 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 74 A 8.34 5.14 1.05 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 0.00 0.00 75 S 9.47 5.26 0.00 3.98 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.46 4.82 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 0.00 0.00 0.00 77 V 8.52 5.18 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 0.82 0.00 0.00 0.91 0.00 0.00 78 W 8.83 5.04 0.00 3.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.94 4.62 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.60 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 *81 R 8.47 4.36 0.00 1.84 1.82 0.00 3.15 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 82 T 8.50 4.73 4.34 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 0.24 0.00 0.00 83 T 9.34 4.03 4.40 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 1.37 0.00 0.00 84 K 7.86 4.21 0.00 1.71 1.80 0.00 1.24 0.00 0.00 1.45 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.05 7.81 85 G 8.18 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 0.00 0.00 0.00 86 T 7.69 3.65 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 87 L 7.92 4.41 0.00 1.41 1.42 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.68 4.58 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.41 4.84 4.22 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 1.20 0.00 0.00 90 L 8.84 4.66 0.00 0.83 1.23 0.12 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.54 5.50 0.00 3.07 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.46 4.82 0.00 2.99 1.98 0.00 0.00 6.40 7.65 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 93 F 8.85 4.82 0.00 3.00 2.91 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 94 F 8.26 5.30 0.00 2.60 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 95 R 8.85 4.95 0.00 1.87 1.76 0.00 3.03 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 96 L 8.69 5.28 0.00 0.91 1.28 0.50 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.98 4.99 0.00 2.85 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 98 E 9.05 4.24 0.00 2.04 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 0.00 2.38 2.52 0.00 99 E 8.61 4.49 0.00 2.14 2.05 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 2.34 2.31 0.00 100 G 7.77 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 0.00 0.00 0.00 0.00 101 I 9.39 4.61 2.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.53 1.14 0.00 0.00 102 V 9.17 4.49 2.30 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 0.80 0.00 0.00 1.05 0.00 0.00 103 Y 7.91 5.38 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.01 4.58 2.15 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 0.77 0.00 0.00 1.04 0.00 0.00 105 W 9.03 5.16 0.00 3.41 3.17 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 0.00 0.00 0.00 0.00 106 P 0.00 5.24 0.00 2.23 2.35 0.00 3.51 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 *108 F 8.30 4.53 0.00 3.02 3.11 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 0.00 109 D 8.98 4.49 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.50 0.00 2.29 2.32 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 111 K 8.27 3.93 0.00 1.92 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.51 7.81 112 A 7.98 4.05 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 0.00 113 V 7.65 4.01 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 0.89 0.00 0.00 0.89 0.00 0.00 *115 E 8.13 4.30 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.44 0.00 116 N 7.75 4.96 0.00 2.66 2.64 0.00 0.00 7.07 7.41 0.00 0.00 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 P 0.00 4.38 0.00 2.21 2.11 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 118 D 8.27 4.41 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.18 1.48 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 0.00 120 L 7.82 4.13 0.00 1.68 1.77 0.27 0.28 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 0.00 121 I 7.80 3.81 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.07 1.05 0.00 0.00 122 Q 8.10 4.45 0.00 2.52 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.60 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 123 W 8.48 3.99 0.00 3.55 3.60 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 0.00 124 L 8.30 3.71 0.00 1.82 1.76 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.30 4.26 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 1.25 0.00 0.00 126 G 8.14 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 0.00 127 K 8.11 4.20 0.00 1.85 1.73 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 128 D 8.81 4.44 0.00 2.93 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 0.00 129 Y 8.16 4.28 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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.