NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5153 8.3049 120.3391 55.9097 33.4176 174.0190 2 T 4.8515 8.4108 113.5755 62.6569 69.9220 172.1583 3 E 4.5460 7.9695 119.4800 54.8412 31.6726 174.5946 4 P 4.2989 0.0000 0.0000 63.1134 32.7003 174.8562 5 I 4.7980 8.2901 125.4276 59.8388 39.0834 174.4971 6 F 5.2568 9.5013 126.7670 56.3734 41.1519 174.7050 7 M 5.0890 9.3768 124.1045 54.1650 33.7735 175.7342 8 V 4.8675 10.3647 116.9167 58.9442 36.2558 175.4372 9 G 3.7961 8.3844 110.7794 44.0563 0.0000 171.9310 10 A 4.5610 7.3718 122.5974 51.0160 19.2009 177.2510 11 R 4.0421 8.4263 118.4119 58.4177 30.3243 177.6753 12 G 4.0018 9.0118 111.2834 45.3517 0.0000 173.8049 13 C 4.1358 7.8806 113.5790 59.1077 30.0957 174.3149 14 G 3.8578 8.2372 108.9700 46.3893 0.0000 175.5864 15 K 3.9077 8.5251 120.8367 59.8092 31.9486 178.8099 16 T 4.1586 7.9153 114.9205 66.9733 68.5628 176.8901 17 T 3.7004 7.7610 117.0156 66.6162 68.5698 176.7176 18 V 3.6343 8.0010 120.2909 65.9035 31.4908 178.0095 19 G 3.9494 8.1243 105.4653 48.2846 0.0000 175.8214 20 R 3.4918 7.7774 121.0503 58.6162 29.9496 179.0890 21 E 3.9019 8.0856 118.5356 59.1119 29.4367 179.1607 22 L 3.8789 8.3579 120.6384 58.0342 42.1804 178.7796 23 A 4.0410 8.2430 120.9315 55.2036 18.4722 179.5468 24 R 3.7858 8.3309 117.2565 59.6322 29.9754 178.5261 25 A 3.9690 8.2138 119.5475 54.6864 18.4044 178.6781 26 L 4.1022 7.5197 114.9257 54.0120 42.0795 177.4203 27 G 3.8328 7.5451 106.4766 46.3898 0.0000 172.9588 28 Y 5.0387 7.9731 116.8687 55.9897 40.5048 175.4119 29 E 4.4438 8.8411 120.2013 56.2609 31.0869 175.7058 30 F 5.4309 8.7840 124.4498 56.7781 41.7453 175.1205 31 V 4.2694 7.6821 117.6183 59.4928 36.4842 173.6462 32 D 5.1689 8.2578 123.2026 52.2786 43.1928 176.6391 33 T 3.9390 8.8092 118.0265 64.9043 68.7780 176.3146 34 D 4.4846 8.4760 121.7351 57.3778 41.0622 178.6886 35 I 3.7779 8.0696 119.7362 64.3386 37.1874 177.8418 36 F 4.1151 8.6144 121.8370 61.7343 39.1374 176.8709 37 M 4.0192 8.3057 117.9809 59.4140 31.7526 177.9380 38 Q 4.1314 8.0459 117.8243 58.7831 28.5586 178.5686 39 H 4.2202 8.2396 120.9905 60.1455 30.2823 177.7024 40 T 3.5981 7.2731 109.8154 63.8372 68.4996 175.5609 41 S 4.4844 7.7176 115.3729 57.7256 64.1904 175.4451 42 G 3.8921 8.9201 109.6290 45.3070 0.0000 172.5329 43 M 4.5802 7.7359 119.3521 53.4277 34.2626 176.0789 44 T 4.2396 8.0734 116.6363 60.9559 70.1243 175.8627 45 V 3.4962 8.3514 114.7516 64.5981 31.4051 178.3838 46 A 3.8151 7.8393 119.8425 55.4622 18.3187 179.1555 47 D 4.2375 8.0153 116.4832 57.4468 40.9804 179.1184 48 V 3.4950 7.4390 118.3403 65.9863 31.5267 178.0853 49 V 3.1772 7.8332 118.0409 65.7549 30.9990 177.3819 50 A 3.9370 7.9018 119.2674 55.4916 18.2527 179.2548 51 A 4.1297 7.6354 117.0980 54.6206 18.8845 178.1490 52 E 4.4160 8.3724 113.2713 54.8217 32.1610 177.4178 53 G 3.8905 8.6515 110.5998 44.5747 0.0000 174.3698 54 W 4.2682 8.5539 117.0175 59.4177 28.9172 176.6124 55 P 4.5731 0.0000 0.0000 65.6479 30.7508 178.8813 56 G 3.6608 7.8058 104.4862 47.1054 0.0000 175.5970 57 F 4.1026 8.1185 122.7615 61.1821 39.3300 177.4822 58 R 3.9449 8.8928 118.0742 59.2295 29.8211 179.2866 59 R 3.8702 8.0541 118.0087 59.2868 29.9737 179.3491 60 R 3.8379 7.9850 117.8919 59.0510 29.9800 178.6923 61 E 3.6914 8.0069 119.4220 59.3598 29.4131 179.0667 62 S 4.0739 8.1665 115.3492 61.5235 62.8299 176.6192 63 E 3.8341 7.9992 121.1070 59.2768 29.1327 179.2114 64 A 3.9459 8.1647 121.0632 54.7843 18.0884 179.1438 65 L 3.7862 7.8425 118.9675 58.6841 41.8744 179.4096 66 Q 3.4230 7.0003 115.8864 58.6554 28.6145 178.4337 67 A 4.0655 7.5665 120.8664 54.9268 18.5557 179.4361 68 V 3.7403 7.3977 108.1064 61.5803 33.1029 178.1950 69 A 4.4482 7.3637 121.8859 50.6277 15.6884 175.9882 70 T 4.6667 6.9694 112.0379 58.0745 72.6680 173.1213 71 P 4.2637 0.0000 0.0000 63.6357 32.5851 175.9389 72 N 3.1400 8.4166 115.9431 53.4100 36.5387 173.9666 73 R 5.0514 6.8435 116.3003 54.9741 34.6783 174.0935 74 V 4.7485 9.0029 125.5706 61.2863 33.9095 174.4293 75 V 4.5355 8.7919 128.1402 61.0472 33.7830 173.9695 76 A 5.0324 8.8366 131.3636 51.2391 20.2207 175.9771 77 T 5.2202 7.7658 112.0871 58.5638 71.6918 174.8334 78 G 3.8799 8.8095 111.8964 45.3883 0.0000 174.4109 79 G 4.4516 9.1712 111.3602 48.8414 0.0000 175.6472 80 G 3.7806 8.1369 107.0972 45.9112 0.0000 174.7911 81 M 4.1626 8.1625 120.5926 58.5899 32.2576 177.6610 82 V 3.8277 7.1966 109.7097 62.5834 32.0537 177.2261 83 L 4.0128 7.7502 120.3363 57.3860 41.9220 177.8950 84 L 4.2857 7.6450 118.5137 53.8161 42.6920 177.3669 85 E 3.9020 8.8276 123.6003 59.4805 29.5073 178.8928 86 Q 4.0255 8.0098 119.1136 59.1294 29.1472 177.9049 87 N 4.3067 8.1041 117.5351 56.2138 38.6410 177.6158 88 R 3.8557 7.8509 119.0033 59.1386 30.1539 178.6269 89 Q 3.8886 8.4011 119.7013 59.1802 29.2001 178.0330 90 F 3.9971 8.3999 121.7683 61.5566 39.3005 176.8311 91 M 3.2324 7.9765 118.0146 58.4910 31.5306 179.1723 92 R 3.9953 7.6310 116.0529 58.7585 30.3147 178.2089 93 A 4.2039 7.9381 118.4593 53.3022 18.7661 177.3228 94 H 4.6054 7.6999 111.9693 55.2917 31.7390 174.0927 95 G 4.1331 8.2790 107.1675 46.2051 0.0000 172.5542 96 T 4.9499 8.9071 118.6037 61.7717 72.2547 173.3596 97 V 5.0480 8.9841 125.6653 61.2312 34.2508 174.0677 98 V 5.0348 9.0897 128.1603 61.4202 34.1345 173.3806 99 Y 5.2062 9.1763 130.1906 56.4838 40.1769 174.6222 100 L 4.7823 8.7160 128.4722 53.8691 41.3767 175.6968 101 F 3.8448 8.6310 126.7058 57.2157 40.7036 173.9877 102 A 4.4017 6.8438 125.3841 49.7268 22.0406 174.3917 103 P 4.1008 0.0000 0.0000 61.9814 32.3254 177.4773 104 A 3.9132 8.6797 122.7692 55.4386 18.1360 179.6278 105 E 4.0682 8.1893 117.1296 59.6991 29.7220 178.6898 106 E 3.8908 8.0359 118.5510 59.0613 29.5343 178.5427 107 L 3.8964 7.8936 118.3720 57.6034 41.7791 178.8815 108 A 4.1789 8.8299 122.9058 55.8279 18.4109 179.6360 109 L 4.3292 8.1048 119.6828 59.1587 41.3452 180.6863 110 R 4.3609 7.6624 121.4619 55.8765 29.5725 175.8015 111 L 4.6620 8.2039 125.3266 56.6525 42.6430 179.9888 112 Q 4.1628 8.0667 120.6089 55.3255 27.2553 182.4353 *126 R 4.4957 8.1800 118.2967 56.1910 32.0005 177.5128 127 P 4.4639 0.0000 0.0000 62.3853 33.2227 177.0104 128 I 3.6695 8.3891 119.7109 64.2064 37.9647 178.1661 129 A 4.0672 8.0690 123.8192 55.7680 18.4237 179.9477 130 E 4.0223 8.0923 116.3818 60.7788 29.7955 180.8602 131 E 4.0842 8.0591 118.8416 59.8549 29.7260 178.8667 132 M 4.0479 8.0840 118.7295 58.3017 31.8962 178.3851 133 E 3.9108 8.3493 119.2979 59.0989 29.9272 178.8260 134 A 3.9388 7.9249 120.5195 55.0899 18.4234 179.4914 135 V 3.5324 7.9994 117.0980 66.4561 31.6039 178.2775 136 L 4.1031 8.2762 118.7749 57.6916 41.2206 179.2624 137 R 3.9365 8.0272 118.0024 59.6594 30.0396 177.8335 138 E 4.2577 7.9763 115.9489 57.9745 30.1353 178.0124 139 R 4.2179 8.1562 116.6089 56.1345 30.6091 177.8255 140 E 4.1310 8.2919 120.2533 59.5954 29.5789 178.5121 141 A 3.9704 8.0688 119.9308 55.1365 18.3094 179.5543 142 L 3.7735 7.5003 116.9907 58.0073 41.8343 178.8860 143 Y 3.9786 7.4660 116.6476 61.2542 37.4466 178.9446 144 Q 4.0913 7.9951 117.5900 59.0679 28.8721 178.2263 145 D 4.4773 8.1041 119.4783 57.3031 40.9243 178.8715 146 V 3.7314 7.6290 118.3494 63.1730 32.1171 176.9356 147 A 4.3532 7.5384 122.1443 52.4907 18.8689 176.8418 148 H 4.4635 9.0453 119.9174 57.6326 29.7695 175.6304 149 Y 4.9609 7.9739 114.0333 56.0105 42.0726 174.8696 150 V 5.1370 8.6281 121.5503 61.1956 34.5594 174.9682 151 V 4.5600 8.6105 125.8098 59.7185 35.6935 174.2093 152 D 4.9399 8.7327 122.1817 54.3778 41.6606 175.7689 153 A 4.6019 9.1677 128.4125 52.3987 18.9344 177.7279 154 T 4.1213 8.6346 106.2635 62.4906 69.5340 175.4482 155 Q 4.2531 7.2856 120.4453 54.8005 29.6688 174.1775 156 P 4.4380 0.0000 0.0000 61.8658 32.3219 175.8078 157 P 4.1894 0.0000 0.0000 66.1714 31.2146 178.9441 158 A 3.9342 7.9864 118.3468 54.9862 18.2633 179.3815 159 A 3.9772 8.1157 119.5433 55.1143 18.4244 179.9525 160 I 3.6184 7.6488 118.0095 64.4858 37.1866 178.5305 161 V 3.5593 7.9768 119.2441 66.2213 31.4677 177.7955 162 C 4.0655 8.0034 116.3798 62.7535 27.8924 175.7426 163 E 3.9022 8.2958 120.8282 59.2872 29.2761 178.8108 164 L 3.8683 8.3184 119.3475 58.1297 41.6752 179.3644 165 M 4.0385 8.2442 118.8432 58.3164 31.7313 178.6817 166 Q 3.8772 7.9293 119.4394 59.5389 29.1516 178.4261 167 T 3.9291 7.8430 109.0979 64.7217 69.0249 175.4657 168 M 3.5951 8.1728 120.3468 55.3589 32.7416 175.9580 169 R 3.8127 7.3314 116.8379 57.3495 27.5844 175.4874 170 L 4.8984 8.3474 117.1890 52.2222 45.1998 175.9617 171 P 4.1150 0.0000 0.0000 64.0199 32.1214 176.0889 172 A 4.1451 7.7164 126.3815 52.5535 18.6276 176.0026 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 M 8.30 4.52 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.65 0.00 2 T 8.41 4.85 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 1.20 0.00 0.00 3 E 7.97 4.55 0.00 1.95 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 2.28 2.28 0.00 4 P 0.00 4.30 0.00 1.36 2.02 0.00 3.74 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 2.19 1.93 0.00 5 I 8.29 4.80 1.90 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 1.29 0.79 0.99 0.00 0.00 6 F 9.50 5.26 0.00 3.01 3.03 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 7 M 9.38 5.09 0.00 2.01 2.13 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 2.70 2.90 0.00 8 V 10.36 4.87 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.20 0.00 0.00 9 G 8.38 3.80 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 0.00 0.00 0.00 10 A 7.37 4.56 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 11 R 8.43 4.04 0.00 1.82 1.93 0.00 3.19 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 12 G 9.01 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 0.00 0.00 0.00 13 C 7.88 4.14 0.00 3.13 3.03 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 14 G 8.24 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.53 3.91 0.00 1.91 2.04 0.00 1.95 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.62 7.81 16 T 7.92 4.16 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 17 T 7.76 3.70 4.21 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 1.16 0.00 0.00 18 V 8.00 3.63 2.20 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 1.07 0.00 0.00 0.96 0.00 0.00 19 G 8.12 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 20 R 7.78 3.49 0.00 1.47 1.70 0.00 2.86 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 21 E 8.09 3.90 0.00 2.07 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 2.47 2.41 0.00 22 L 8.36 3.88 0.00 1.78 1.89 0.88 1.15 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 23 A 8.24 4.04 1.61 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 0.00 0.00 24 R 8.33 3.79 0.00 1.90 2.04 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 25 A 8.21 3.97 1.28 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 0.00 0.00 26 L 7.52 4.10 0.00 0.85 0.44 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.55 3.83 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 0.00 0.00 0.00 28 Y 7.97 5.04 0.00 2.78 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 29 E 8.84 4.44 0.00 1.97 1.90 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 2.35 2.47 0.00 30 F 8.78 5.43 0.00 3.03 2.98 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 0.00 0.00 0.00 31 V 7.68 4.27 1.92 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 0.52 0.00 0.00 0.70 0.00 0.00 32 D 8.26 5.17 0.00 2.78 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 33 T 8.81 3.94 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 1.18 0.00 0.00 34 D 8.48 4.48 0.00 3.07 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 35 I 8.07 3.78 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.06 1.00 0.00 0.00 36 F 8.61 4.12 0.00 3.16 3.23 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 37 M 8.31 4.02 0.00 2.16 2.48 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.62 0.00 38 Q 8.05 4.13 0.00 2.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 39 H 8.24 4.22 0.00 3.09 3.26 0.00 5.95 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.27 3.60 3.90 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 0.28 0.00 0.00 41 S 7.72 4.48 0.00 3.98 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 42 G 8.92 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 0.00 0.00 0.00 43 M 7.74 4.58 0.00 2.06 1.94 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 2.62 2.41 0.00 44 T 8.07 4.24 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 1.25 0.00 0.00 45 V 8.35 3.50 1.61 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 0.71 0.00 0.00 0.87 0.00 0.00 46 A 7.84 3.82 1.28 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 0.00 0.00 47 D 8.02 4.24 0.00 2.90 2.70 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 0.00 0.00 0.00 0.00 48 V 7.44 3.49 2.22 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 0.92 0.00 0.00 1.00 0.00 0.00 49 V 7.83 3.18 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 0.38 0.00 0.00 -0.42 0.00 0.00 50 A 7.90 3.94 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 51 A 7.64 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.42 0.00 1.91 1.88 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 2.19 2.37 0.00 53 G 8.65 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 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 71 P 0.00 4.26 0.00 1.95 2.05 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 72 N 8.42 3.14 0.00 2.53 2.11 0.00 0.00 6.65 8.01 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 73 R 6.84 5.05 0.00 1.92 1.61 0.00 3.20 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 74 V 9.00 4.75 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 1.12 0.00 0.00 1.08 0.00 0.00 75 V 8.79 4.54 1.92 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 0.94 0.00 0.00 0.63 0.00 0.00 76 A 8.84 5.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.77 5.22 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 1.39 0.00 0.00 78 G 8.81 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.50 3.77 0.00 1.40 1.44 0.75 0.81 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 0.00 143 Y 7.47 3.98 0.00 2.40 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 0.00 144 Q 8.00 4.09 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 145 D 8.10 4.48 0.00 2.71 2.68 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 0.00 0.00 0.00 0.00 146 V 7.63 3.73 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 0.85 0.00 0.00 0.92 0.00 0.00 147 A 7.54 4.35 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.05 4.46 0.00 2.94 2.75 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.97 4.96 0.00 2.95 2.84 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 0.00 150 V 8.63 5.14 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 0.78 0.00 0.00 1.18 0.00 0.00 151 V 8.61 4.56 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 0.69 0.00 0.00 0.97 0.00 0.00 152 D 8.73 4.94 0.00 2.87 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 0.00 153 A 9.17 4.60 1.19 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 0.00 0.00 154 T 8.63 4.12 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 1.16 0.00 0.00 155 Q 7.29 4.25 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 156 P 0.00 4.44 0.00 2.16 1.95 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 157 P 0.00 4.19 0.00 2.12 2.09 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 158 A 7.99 3.93 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 0.00 159 A 8.12 3.98 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 0.00 160 I 7.65 3.62 2.02 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 1.65 0.65 0.91 0.00 0.00 161 V 7.98 3.56 2.20 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 1.08 0.00 0.00 0.99 0.00 0.00 162 C 8.00 4.07 0.00 3.13 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 0.00 163 E 8.30 3.90 0.00 2.02 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 0.00 2.29 2.34 0.00 164 L 8.32 3.87 0.00 1.76 1.61 0.93 0.93 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 0.00 165 M 8.24 4.04 0.00 2.14 2.07 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 2.70 2.47 0.00 166 Q 7.93 3.88 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 167 T 7.84 3.93 4.27 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 1.23 0.00 0.00 168 M 8.17 3.60 0.00 1.69 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.83 0.00 169 R 7.33 3.81 0.00 1.92 1.96 0.00 3.12 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 170 L 8.35 4.90 0.00 1.46 1.45 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.11 0.00 2.11 2.05 0.00 3.50 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 1.92 1.98 0.00 172 A 7.72 4.15 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 * Residues marked with a * may have inaccurate shift predictions.