NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 D 4.5247 8.3649 120.5399 55.3903 42.5860 176.5287 20 V 2.7805 8.0648 116.1882 59.9243 30.9307 169.9875 21 P 4.5653 0.0000 0.0000 62.0920 34.0598 175.6445 22 Y 4.0560 8.4832 120.4076 60.4796 38.7175 178.1950 23 W 4.0679 7.8810 114.6876 58.4610 28.2548 176.2184 24 M 3.8804 6.5266 117.2181 55.1042 31.8978 176.4133 25 L 3.8993 7.0154 119.9141 53.8294 42.3023 176.8727 26 Q 3.9317 8.5062 121.1190 57.0378 28.9715 176.6182 27 N 4.7047 8.3137 118.0334 52.2210 41.4397 176.1473 28 R 4.1742 8.2276 116.9115 56.6733 30.3548 176.2959 29 S 4.4090 7.7138 111.3335 57.2271 64.4812 172.4716 30 E 3.6336 8.8956 121.2194 56.4670 28.7214 177.1804 31 Y 3.8747 8.5276 125.3691 59.5700 35.7019 171.8848 32 I 3.8333 8.2284 125.3601 63.7622 37.7338 177.5201 33 T 4.0920 7.7176 108.5021 61.9337 69.2205 173.4884 34 Q 5.0821 7.6559 121.9948 54.3992 30.9950 175.3513 35 G 4.3175 8.9399 109.3349 44.5262 0.0000 171.6557 36 V 5.7495 8.2793 115.4280 58.7128 34.7771 174.3421 37 D 4.9154 8.5596 122.6977 53.6265 44.8071 173.4864 38 S 5.5867 8.3509 114.8869 55.5570 66.4736 172.3878 39 S 4.7716 8.2553 114.1378 56.9035 66.3588 171.6648 40 H 5.2595 8.4237 117.4591 53.3739 31.7697 174.3235 41 I 3.9166 8.5137 122.5981 61.8512 37.5588 176.0087 42 V 4.4754 8.0799 123.7592 61.1164 34.9928 174.2738 43 D 4.5414 9.1312 126.4454 57.7821 40.6529 179.3551 44 G 3.8805 8.0691 104.5698 47.0828 0.0000 173.2341 45 K 4.6253 8.0027 119.1267 53.8963 36.3501 176.4291 46 K 4.1390 8.5342 122.4144 56.9783 33.3517 178.1803 47 T 3.9517 8.5817 118.3729 66.5010 67.8420 176.6190 48 E 4.1821 8.1328 119.6047 59.3784 29.6986 178.6425 49 E 3.9474 8.1477 119.8793 59.0037 29.5876 178.6624 50 I 3.9477 7.5548 119.0297 63.6481 37.3821 177.8083 51 E 4.0943 8.3069 119.7229 58.6402 29.2667 179.1501 52 K 3.9301 7.7532 119.5246 59.5564 32.3671 178.7695 53 I 3.6824 7.7539 119.9144 64.5081 37.0282 178.3377 54 A 4.0013 7.7488 121.1662 55.4859 18.2907 179.7695 55 T 3.8601 8.2916 114.7298 66.6284 68.5530 176.7535 56 K 4.1196 8.0848 121.6002 59.4975 32.3193 179.2286 57 R 3.9782 8.2173 118.1627 58.8382 29.9490 179.0137 58 A 4.0168 8.1047 120.8593 55.5920 18.3454 179.6411 59 T 3.9236 8.0650 114.2683 67.1511 68.4705 176.8615 60 I 3.9342 7.8163 121.1074 64.1432 36.9751 178.4521 61 R 4.1455 8.0390 121.2671 58.7012 29.8394 178.5595 62 V 3.5658 7.8519 117.8441 66.1570 31.5240 177.9698 63 A 4.0756 7.9205 120.4904 55.2416 18.2348 179.5664 64 Q 4.0839 8.3926 116.7448 59.2245 28.7319 178.8866 65 N 4.4838 8.3983 117.7380 56.2548 38.5428 177.6193 66 I 3.6755 7.8990 121.2799 64.4248 37.1815 178.7629 67 V 3.6789 8.2759 113.6462 64.7491 31.4156 177.8392 68 H 4.0145 8.2904 117.8009 59.5685 29.7232 177.3120 69 K 4.0500 8.0415 119.8701 59.4362 31.7073 179.3606 70 L 4.1090 7.8662 119.4129 57.3737 41.5353 179.4195 71 K 3.0880 7.9110 118.7444 59.3479 31.7194 179.0067 72 E 3.8946 7.7085 117.0232 59.3283 29.7783 179.0343 73 A 4.1472 7.9069 120.4680 55.4485 18.2756 179.1326 74 Y 4.1421 8.1620 117.0349 60.8225 38.9904 177.8194 75 L 4.0318 7.9612 118.9055 56.2224 42.3439 177.7565 76 S 4.1938 7.2837 113.7294 57.6657 62.8943 174.7505 77 K 3.8392 8.6572 127.2284 59.6055 31.9916 177.6894 78 T 4.0376 7.6202 112.5559 63.9064 67.5726 174.2288 79 N 4.0282 7.5016 118.5640 53.9631 39.1410 174.3278 80 R 4.3376 8.4679 123.3098 57.0745 31.2716 177.0306 81 I 3.8471 7.7838 119.0503 61.6734 37.5316 175.7778 82 K 4.2377 8.6992 124.5812 58.3655 32.8583 177.5079 83 Q 4.0769 7.9475 117.9434 55.9004 29.4647 175.3961 84 K 4.3708 8.5001 124.4762 55.8999 32.7808 176.0949 85 I 4.1904 8.2014 127.4798 59.3097 39.4013 176.1445 86 T 4.5128 7.9401 115.8272 60.3697 71.7871 175.2106 87 N 4.5265 8.6552 119.3713 57.0181 38.9200 176.7128 88 E 3.9958 8.1928 119.5319 59.6478 29.3855 179.0036 89 M 3.9757 8.1404 118.1079 58.3062 32.2734 178.5193 90 F 4.1577 8.2909 118.1111 60.7245 39.2828 177.5457 91 I 3.7743 8.2221 119.6928 64.8351 36.4360 178.3840 92 Q 4.0544 8.2666 118.6546 59.2017 28.5473 178.6009 93 M 3.9375 8.0863 119.0167 57.6939 31.8852 178.6893 94 T 3.9461 7.7964 116.4158 66.6508 68.6068 176.3102 95 Q 4.0251 7.6408 119.4704 58.7441 28.6242 177.1049 96 P 4.4367 0.0000 0.0000 65.5382 31.6484 178.5005 97 I 3.9332 7.9338 118.6975 64.5461 37.0965 177.3741 98 Y 4.1551 8.1479 120.2791 61.3331 38.3516 178.1353 99 D 4.4380 8.6661 118.5938 57.1933 41.1611 178.4963 100 S 4.4504 8.0936 113.5956 58.4720 63.5013 174.3056 101 L 4.3294 7.2591 123.4567 55.3144 42.0971 176.3059 102 M 4.5888 8.4874 122.6020 54.5327 35.3362 175.0828 103 N 4.0998 8.4307 116.6911 54.3983 35.6604 175.0039 104 V 4.6154 7.4327 110.0935 60.0800 33.4080 175.8762 105 D 4.8068 8.5282 125.4535 52.8841 42.9351 175.9835 106 R 4.4395 8.4539 123.3115 56.0850 30.1444 175.8876 107 L 4.3056 9.0391 126.9833 54.3414 42.5325 177.3057 108 G 4.2902 6.5837 111.4220 46.0523 0.0000 171.6002 109 I 5.4380 8.4476 122.3850 59.4580 40.6705 174.3853 110 Y 4.8976 9.6210 126.8186 56.0559 41.9914 173.7758 111 I 4.6615 7.8325 127.5058 59.3392 39.0415 174.9373 112 N 4.1923 9.1346 127.7661 53.0837 39.0378 174.1296 113 P 4.3004 0.0000 0.0000 65.5255 31.8772 177.8460 114 N 4.4704 8.2196 114.8988 55.6358 38.6115 175.3076 115 N 4.6280 8.1401 114.1678 52.8864 40.0988 174.0450 116 E 3.7898 7.8049 116.5051 57.2454 28.1244 173.2175 117 E 4.6496 8.0079 118.4460 54.7062 31.8642 174.3039 118 V 4.7567 8.3981 127.6063 61.4955 33.3655 174.6987 119 F 5.4054 9.7747 127.1097 56.3055 41.6919 174.8240 120 A 5.1535 9.0512 121.8375 50.2398 22.8082 174.6591 121 L 4.7619 8.1044 123.8574 53.3427 43.9818 175.5419 122 V 5.0336 8.4176 125.0008 60.2937 36.0286 174.3635 123 R 4.9374 8.1846 123.5729 55.3404 33.2513 173.1855 124 A 4.8092 8.8506 129.9829 51.0957 19.1222 177.3027 125 R 4.0699 9.0401 123.4865 59.6054 31.0970 176.7908 126 G 4.1457 8.1619 104.2829 46.4004 0.0000 172.1761 127 F 5.2340 8.1062 113.2175 55.7651 41.0467 173.4249 128 D 4.3102 8.7658 121.4328 52.8075 41.5723 177.3469 129 K 3.6446 7.9690 127.2361 59.9114 32.7095 178.7856 130 D 4.3312 7.8629 119.7918 56.9032 40.8157 178.4318 131 A 3.9998 8.0521 120.8789 54.9809 18.3775 179.3812 132 L 3.9453 7.7777 118.6087 58.5268 42.2946 179.0401 133 S 4.1477 8.5139 115.4768 61.8573 62.7479 176.6201 134 E 4.0764 8.3403 121.8307 59.2549 29.2311 179.0623 135 G 3.6710 8.0363 104.6584 47.7368 0.0000 175.4168 136 L 4.1618 8.0892 121.2421 57.9062 41.7201 179.1375 137 H 4.3581 8.1702 116.1839 58.9387 28.4415 178.0013 138 K 4.1567 8.0812 119.2613 58.5448 31.7858 178.1306 139 M 4.4593 7.4944 115.4773 54.8657 31.6077 176.0823 140 S 4.1208 7.9805 113.3151 59.7141 60.6396 168.8542 141 L 4.4770 8.1512 119.8753 54.6294 42.5044 175.9593 142 D 4.4116 8.4926 123.1748 51.0038 42.5951 177.8538 143 N 4.3681 9.0239 120.0006 56.8247 38.5862 177.0172 144 Q 3.9191 8.2734 119.9851 59.2934 28.9486 177.9688 145 A 4.0174 8.0591 120.7332 55.7817 18.4103 179.9886 146 V 3.6014 7.7900 110.4548 64.3553 31.5927 178.9622 147 S 4.1498 8.2993 115.2123 61.7812 62.7215 176.9517 148 I 3.7966 7.9444 122.3286 64.2992 36.8914 178.5576 149 L 4.0405 8.3037 120.2639 57.9190 41.5067 179.8187 150 V 3.7290 8.4314 118.3695 65.9401 31.4645 177.9440 151 A 4.1415 8.2612 120.6066 54.9953 18.1553 179.8022 152 K 4.0206 8.2294 117.3472 59.4777 32.1168 179.7626 153 V 3.5273 7.9069 118.7438 65.7072 31.3495 177.6002 154 E 4.1488 8.2990 119.1508 59.5264 29.4519 178.5459 155 E 4.0228 8.2656 118.4823 59.6945 29.3118 179.4869 156 I 3.6618 7.6080 118.5841 64.4493 37.2896 178.1952 157 F 4.0704 8.3192 118.5588 60.2295 38.6221 178.1695 158 K 4.1326 8.2806 117.4756 59.3619 31.9447 178.7394 159 D 4.4819 8.3012 120.4595 57.2451 40.7360 177.2552 *160 S 4.4167 7.7114 120.8876 58.2521 63.0587 178.9833 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 19 D 8.36 4.52 0.00 2.73 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 20 V 8.06 2.78 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 0.65 0.00 0.00 0.96 0.00 0.00 21 P 0.00 4.57 0.00 1.67 2.01 0.00 2.36 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.04 0.00 22 Y 8.48 4.06 0.00 2.90 3.04 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 23 W 7.88 4.07 0.00 3.44 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 M 6.53 3.88 0.00 1.06 1.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 25 L 7.02 3.90 0.00 1.43 1.41 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.51 3.93 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 27 N 8.31 4.70 0.00 2.56 2.76 0.00 0.00 7.15 7.66 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 28 R 8.23 4.17 0.00 1.93 2.07 0.00 3.38 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 29 S 7.71 4.41 0.00 3.95 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 30 E 8.90 3.63 0.00 1.92 1.84 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 2.32 2.34 0.00 31 Y 8.53 3.87 0.00 3.06 2.82 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 32 I 8.23 3.83 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.47 0.83 0.00 0.00 33 T 7.72 4.09 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 0.36 0.00 0.00 34 Q 7.66 5.08 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.20 0.00 35 G 8.94 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 36 V 8.28 5.75 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 1.02 0.00 0.00 1.14 0.00 0.00 37 D 8.56 4.92 0.00 2.74 2.50 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 38 S 8.35 5.59 0.00 3.20 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 39 S 8.26 4.77 0.00 3.83 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 0.00 40 H 8.42 5.26 0.00 2.97 3.13 0.00 5.96 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.51 3.92 1.96 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 1.10 0.45 0.94 0.00 0.00 42 V 8.08 4.48 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 0.80 0.00 0.00 0.97 0.00 0.00 43 D 9.13 4.54 0.00 2.77 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 44 G 8.07 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 0.00 0.00 0.00 45 K 8.00 4.63 0.00 1.82 1.66 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.35 7.81 46 K 8.53 4.14 0.00 1.90 1.94 0.00 1.53 0.00 0.00 2.11 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.41 7.81 47 T 8.58 3.95 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 48 E 8.13 4.18 0.00 2.20 2.21 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 2.36 2.37 0.00 49 E 8.15 3.95 0.00 2.15 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 0.00 2.31 2.35 0.00 50 I 7.55 3.95 1.97 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 1.63 1.25 0.94 0.00 0.00 51 E 8.31 4.09 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 2.36 2.54 0.00 52 K 7.75 3.93 0.00 1.98 2.06 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 53 I 7.75 3.68 1.86 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 1.63 1.03 0.90 0.00 0.00 54 A 7.75 4.00 1.44 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 0.00 0.00 0.00 55 T 8.29 3.86 4.41 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 0.00 0.00 0.00 1.22 0.00 0.00 56 K 8.08 4.12 0.00 1.97 2.00 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.72 7.81 57 R 8.22 3.98 0.00 2.02 2.14 0.00 3.32 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 58 A 8.10 4.02 1.49 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 59 T 8.07 3.92 4.64 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 1.20 0.00 0.00 60 I 7.82 3.93 2.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.43 0.85 0.00 0.00 61 R 8.04 4.15 0.00 2.08 2.15 0.00 3.22 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 62 V 7.85 3.57 2.32 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 1.07 0.00 0.00 1.01 0.00 0.00 63 A 7.92 4.08 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 64 Q 8.39 4.08 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 65 N 8.40 4.48 0.00 3.01 2.87 0.00 0.00 7.01 8.13 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 66 I 7.90 3.68 2.06 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 1.43 0.67 0.91 0.00 0.00 67 V 8.28 3.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.99 0.00 0.00 68 H 8.29 4.01 0.00 3.18 3.56 0.00 5.79 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 69 K 8.04 4.05 0.00 1.88 1.81 0.00 1.94 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.59 7.81 70 L 7.87 4.11 0.00 2.00 1.93 1.02 1.17 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 71 K 7.91 3.09 0.00 1.72 1.52 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.87 7.81 72 E 7.71 3.89 0.00 2.03 1.96 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 2.25 2.25 0.00 73 A 7.91 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.16 4.14 0.00 3.16 3.29 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 75 L 7.96 4.03 0.00 1.97 1.70 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.28 4.19 0.00 4.00 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 77 K 8.66 3.84 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.49 7.81 78 T 7.62 4.04 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 1.21 0.00 0.00 79 N 7.50 4.03 0.00 2.98 2.75 0.00 0.00 7.16 7.44 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 80 R 8.47 4.34 0.00 1.86 1.98 0.00 3.29 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 81 I 7.78 3.85 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.57 1.08 0.00 0.00 82 K 8.70 4.24 0.00 1.75 1.88 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.49 7.81 83 Q 7.95 4.08 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 84 K 8.50 4.37 0.00 1.78 1.73 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.60 7.81 85 I 8.20 4.19 0.68 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 1.01 0.49 -0.31 0.00 0.00 86 T 7.94 4.51 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 1.21 0.00 0.00 87 N 8.66 4.53 0.00 2.93 2.92 0.00 0.00 6.88 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 88 E 8.19 4.00 0.00 2.10 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 0.00 2.41 2.48 0.00 89 M 8.14 3.98 0.00 1.70 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 90 F 8.29 4.16 0.00 3.34 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 91 I 8.22 3.77 2.07 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 1.56 1.13 0.93 0.00 0.00 92 Q 8.27 4.05 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 93 M 8.09 3.94 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 94 T 7.80 3.95 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 95 Q 7.64 4.03 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 96 P 0.00 4.44 0.00 2.07 2.16 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 97 I 7.93 3.93 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 1.00 0.00 0.00 98 Y 8.15 4.16 0.00 3.07 3.29 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 99 D 8.67 4.44 0.00 2.90 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 0.00 100 S 8.09 4.45 0.00 4.34 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 0.00 101 L 7.26 4.33 0.00 1.63 1.66 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 102 M 8.49 4.59 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 103 N 8.43 4.10 0.00 2.94 2.85 0.00 0.00 6.96 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 0.00 104 V 7.43 4.62 2.09 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 0.69 0.00 0.00 0.91 0.00 0.00 105 D 8.53 4.81 0.00 2.60 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 0.00 106 R 8.45 4.44 0.00 1.79 1.82 0.00 3.20 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 107 L 9.04 4.31 0.00 1.18 1.48 0.83 0.83 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 0.00 108 G 6.58 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 0.00 109 I 8.45 5.44 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 1.07 0.00 0.00 110 Y 9.62 4.90 0.00 2.91 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 0.00 111 I 7.83 4.66 1.70 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 1.19 0.58 0.82 0.00 0.00 112 N 9.13 4.19 0.00 3.01 2.81 0.00 0.00 6.78 7.74 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 0.00 113 P 0.00 4.30 0.00 2.07 2.07 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 114 N 8.22 4.47 0.00 2.74 2.90 0.00 0.00 6.75 8.00 0.00 0.00 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 N 8.14 4.63 0.00 2.74 2.95 0.00 0.00 7.12 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 0.00 116 E 7.80 3.79 0.00 2.22 1.96 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 2.23 2.21 0.00 117 E 8.01 4.65 0.00 2.12 1.77 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 1.54 1.52 0.00 118 V 8.40 4.76 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 0.95 0.00 0.00 0.89 0.00 0.00 119 F 9.77 5.41 0.00 3.33 3.32 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 0.00 120 A 9.05 5.15 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 0.00 121 L 8.10 4.76 0.00 0.27 0.76 0.49 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.42 5.03 2.06 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 1.25 0.00 0.00 0.91 0.00 0.00 123 R 8.18 4.94 0.00 1.77 1.66 0.00 3.32 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 1.50 1.49 0.00 124 A 8.85 4.81 1.38 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 0.00 0.00 0.00 125 R 9.04 4.07 0.00 1.83 2.03 0.00 3.20 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 126 G 8.16 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 0.00 0.00 0.00 0.00 127 F 8.11 5.23 0.00 2.96 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 0.00 0.00 0.00 0.00 128 D 8.77 4.31 0.00 2.56 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 0.00 0.00 0.00 0.00 129 K 7.97 3.64 0.00 1.90 1.86 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.01 1.28 7.81 130 D 7.86 4.33 0.00 2.62 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 0.00 131 A 8.05 4.00 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 0.00 132 L 7.78 3.95 0.00 2.02 1.98 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.51 4.15 0.00 4.00 3.97 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 0.00 134 E 8.34 4.08 0.00 2.26 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 2.31 2.38 0.00 135 G 8.04 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.09 4.16 0.00 1.67 1.67 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 0.00 137 H 8.17 4.36 0.00 3.42 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.08 4.16 0.00 1.95 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.64 7.81 139 M 7.49 4.46 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.78 0.00 140 S 7.98 4.12 0.00 4.05 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 0.00 141 L 8.15 4.48 0.00 1.72 1.53 0.78 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.49 4.41 0.00 2.94 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 0.00 143 N 9.02 4.37 0.00 2.76 2.92 0.00 0.00 6.54 8.08 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 0.00 144 Q 8.27 3.92 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 145 A 8.06 4.02 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 0.00 146 V 7.79 3.60 1.96 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 0.53 0.00 0.00 0.85 0.00 0.00 147 S 8.30 4.15 0.00 4.11 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 0.00 148 I 7.94 3.80 1.92 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 1.56 0.84 0.98 0.00 0.00 149 L 8.30 4.04 0.00 1.68 1.76 0.87 0.77 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 0.00 150 V 8.43 3.73 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 1.19 0.00 0.00 1.02 0.00 0.00 151 A 8.26 4.14 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 0.00 152 K 8.23 4.02 0.00 1.97 1.89 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.77 1.64 7.81 153 V 7.91 3.53 1.75 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 0.38 0.00 0.00 0.97 0.00 0.00 154 E 8.30 4.15 0.00 2.43 2.24 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 2.46 2.53 0.00 155 E 8.27 4.02 0.00 2.29 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 2.37 2.58 0.00 156 I 7.61 3.66 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.57 0.61 0.00 0.00 157 F 8.32 4.07 0.00 3.20 3.18 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 0.00 0.00 0.00 0.00 158 K 8.28 4.13 0.00 1.80 1.93 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.69 7.81 159 D 8.30 4.48 0.00 2.92 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 *160 S 7.71 4.42 0.00 3.58 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 * Residues marked with a * may have inaccurate shift predictions.