NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3544 8.3349 116.8016 57.3489 63.8749 173.7343 3 N 4.3134 8.1798 114.4719 52.5045 37.2695 171.6654 4 T 4.8559 8.8333 117.2937 62.2787 71.8833 174.1635 5 L 5.0034 8.9660 120.1583 53.4406 44.4461 176.8407 6 F 4.8911 8.0686 119.5447 57.1019 43.1523 172.7386 7 D 4.5730 6.9229 123.2061 53.5598 43.8590 173.4866 8 D 4.4127 8.4589 123.9127 53.7358 45.8914 173.4812 9 I 4.9775 7.9115 121.0259 59.4108 40.1190 175.0022 10 F 5.1481 9.6168 125.1467 55.6523 43.0569 174.3578 11 Q 4.7804 9.0417 123.7145 54.1090 30.7268 174.8712 12 V 4.2582 8.4818 128.0564 63.4852 32.1738 176.0281 13 S 4.7938 10.2655 121.2837 58.0426 64.6527 173.8840 14 E 4.6094 7.8613 120.1624 55.6724 32.3585 173.9754 15 V 4.3475 8.5016 127.5517 60.5818 33.6898 175.3189 16 D 4.6416 8.5264 121.9863 51.6856 44.3701 172.9807 17 P 4.6132 0.0000 0.0000 62.5197 31.9732 174.8427 18 G 3.7142 7.4466 109.8611 47.7122 0.0000 173.4466 19 R 3.6973 8.3295 124.1154 56.9523 27.9247 175.5369 20 Y 5.2416 7.4645 114.8943 56.7286 41.1473 174.6282 21 N 5.1089 8.8050 112.5311 53.5079 42.8957 175.4053 22 K 4.5966 8.2257 115.4265 55.8598 34.9737 176.0352 23 V 4.7472 7.8396 118.6664 61.1416 34.5960 174.4723 24 C 5.1033 9.2235 123.3884 57.9231 32.3277 173.1559 25 R 4.5824 8.4288 122.7590 56.1250 30.8632 175.2178 26 I 4.8792 8.8259 126.2747 58.6396 41.4473 173.6538 27 E 4.8997 8.3717 124.9823 54.6731 32.8867 173.6242 28 A 5.6273 9.1040 126.7308 51.2002 23.2873 174.6371 29 A 5.3521 8.6333 120.9956 49.8530 23.0489 175.6577 30 S 4.1494 8.5365 114.4368 58.3163 63.5471 174.7553 31 T 3.9706 8.2356 120.4138 67.0631 68.5781 176.3383 32 T 3.9592 7.8873 109.9240 64.1087 68.9692 174.2763 33 Q 4.6182 7.3937 119.7710 53.2619 31.6951 175.2970 34 D 4.4599 8.5309 122.6723 57.5383 41.5508 178.3272 35 Q 4.4285 7.6821 119.0557 55.0911 26.3479 174.4499 36 C 4.9114 7.5422 116.9331 58.5068 32.9153 173.9591 37 K 4.8451 8.5088 119.2984 55.5635 35.9746 174.1044 38 L 5.0809 9.0377 127.0387 53.6946 45.8995 174.8710 39 T 5.0680 8.5517 121.8900 61.7687 72.0408 172.9317 40 L 4.9083 8.2471 126.7090 54.0136 46.2002 174.2386 41 D 5.2052 8.8587 127.0294 53.7160 40.9195 175.9147 42 I 4.2293 8.8476 125.5569 59.8598 39.4751 175.6359 43 N 4.9874 9.6102 125.7310 51.4027 36.5190 175.0891 44 V 4.0611 8.1403 122.9918 65.0376 32.3805 177.7718 45 E 4.0290 8.4898 119.6954 58.3401 29.8536 177.1256 46 L 4.3876 8.3662 118.0249 55.4788 42.6966 176.0217 47 F 4.6775 7.9390 120.7524 55.2160 40.1434 171.6363 48 P 4.7011 0.0000 0.0000 61.5598 31.8470 176.5456 49 V 4.1764 8.1517 120.6551 60.9992 33.5984 174.3573 50 A 4.6037 8.1745 130.0094 49.8626 20.5479 176.3617 51 A 3.9917 8.5380 124.9307 53.7885 18.9436 176.9363 52 Q 3.5185 8.2315 119.6067 56.0501 25.8757 172.8676 53 D 4.7163 7.6742 115.7928 52.8199 42.7941 173.7032 54 S 4.6181 8.4977 118.4014 58.7053 63.9190 173.2842 55 L 4.9566 9.0290 122.2732 53.3342 46.5919 175.3000 56 T 4.9632 8.2042 117.1798 61.8475 71.2827 173.5437 57 V 4.9176 9.0522 126.9930 61.2659 34.3803 174.4114 58 T 5.4291 8.9170 117.3506 60.0795 72.9439 172.8002 59 I 5.3824 8.9676 121.7539 58.7481 41.2607 174.6024 60 A 5.1910 8.6505 128.5341 50.2079 22.5999 175.7426 61 S 4.6344 8.3124 108.6586 59.2778 64.4675 174.7431 62 S 4.5020 8.3055 111.4482 59.6334 64.7444 175.4601 63 L 4.0725 7.9317 120.8852 53.8152 40.1475 178.6113 *76 T 4.1677 7.2734 114.3462 64.1787 70.0368 176.7675 77 R 3.6805 7.9100 128.6183 57.4903 28.4017 177.3905 78 S 4.7529 8.5088 120.5053 56.9355 64.7179 172.7746 79 W 4.4723 8.6126 134.1441 56.4244 30.8020 175.7440 80 R 4.2301 7.4978 124.7257 53.2933 31.4361 174.3959 81 P 3.4921 0.0000 0.0000 62.3509 31.8482 174.3134 82 P 4.0467 0.0000 0.0000 65.8369 31.8501 176.7222 83 Q 3.2492 7.9067 114.8303 57.2148 27.1243 173.4815 84 A 4.3868 7.5573 115.4500 52.3731 18.8752 179.5587 85 G 3.7878 7.9984 111.7796 49.5984 0.0000 175.1344 86 D 4.6107 7.6207 119.7409 52.8316 41.7929 174.9155 87 R 4.4961 7.7912 117.6879 54.9576 32.5220 176.6797 88 S 4.3362 8.1393 113.0287 57.8901 64.3598 173.5101 89 L 4.7426 8.2292 124.3181 52.3523 44.8305 175.7342 90 A 4.2876 8.0114 120.9214 52.7957 18.4128 177.8205 91 D 4.6625 8.0068 118.6553 54.6309 40.0826 177.6981 92 D 4.2518 7.7150 120.5874 57.3429 40.8800 176.4743 93 Y 4.8647 7.1699 116.0648 57.1093 39.7577 174.9406 94 D 4.7567 8.7719 119.3271 56.3493 42.2383 176.8468 95 Y 4.7435 8.2395 120.4216 55.4999 41.3683 174.7583 96 V 5.0673 8.0254 125.2940 60.5396 34.5090 174.2344 97 M 4.8790 9.2831 123.3957 53.5720 36.3883 173.5288 98 Y 4.7258 8.4547 120.7266 56.3830 41.9978 174.8730 99 G 3.9166 7.2742 110.6781 46.0172 0.0000 171.6871 100 T 4.7481 8.6550 115.4617 61.4767 72.1830 173.7811 101 A 3.7959 8.4190 127.8070 53.1102 19.3783 173.9884 102 Y 4.4799 8.7279 117.6559 57.2959 39.8212 177.5798 103 K 4.1696 8.6856 115.6159 55.7885 34.2464 177.6301 104 F 4.9476 8.5277 122.8275 56.0412 37.7614 174.6639 105 E 4.2254 8.6448 122.9093 55.8610 31.5790 175.5433 106 E 4.7773 8.6081 126.4875 54.1456 31.3783 175.1610 107 V 3.8497 8.1182 124.9687 63.1490 32.0184 175.5385 108 S 3.9652 8.5996 123.9444 57.4531 64.1864 176.1857 109 K 3.5980 8.6653 121.5664 57.8286 32.4047 175.4170 110 D 4.4404 8.6756 114.6306 55.7482 39.3829 176.6080 111 L 4.2700 7.1026 121.3199 55.8979 42.8263 176.1837 112 I 4.8504 8.3784 120.4825 59.9537 42.1831 173.2691 113 A 4.8769 8.7630 128.7598 50.5646 22.3817 175.3986 114 V 4.0669 8.2449 116.3368 60.0012 34.2081 174.6566 115 Y 4.8780 7.7662 120.4668 56.3876 40.2509 174.3547 116 Y 4.9340 9.6909 122.5918 56.0577 41.8385 174.4977 117 S 4.9549 9.1979 117.9768 56.6204 65.4107 172.6916 118 F 4.9483 9.3642 127.7338 54.5977 40.0806 175.9540 119 G 4.1526 9.8093 116.3794 46.2613 0.0000 171.8048 120 G 4.0040 7.9717 108.1054 44.8290 0.0000 174.5313 121 L 4.3128 8.3113 121.1174 54.6058 42.6259 176.6375 122 L 5.3256 8.9414 124.0332 53.6217 44.8059 175.4743 123 M 5.1922 9.5422 120.7768 54.2866 35.8274 173.8255 124 R 4.3234 9.0740 128.0800 54.5347 31.6109 173.4644 125 L 4.6955 8.3773 128.7441 53.2285 44.2324 174.6354 126 E 4.9614 8.6395 126.2452 54.1907 33.2156 173.9503 127 G 4.1293 8.5237 113.8568 47.0164 0.0000 174.7627 128 N 4.9717 8.6092 115.3488 54.7512 43.0957 174.8148 129 Y 5.1727 8.0341 113.7528 56.6958 37.9222 176.3786 130 R 4.0655 8.0857 118.5400 59.7867 31.7261 178.3632 131 N 4.1541 6.7905 108.4354 52.1590 41.6639 177.0183 132 L 4.7683 8.5452 123.3426 54.8720 39.4797 174.6138 133 N 5.0695 7.8950 118.7175 54.7934 44.3855 177.4777 134 N 4.7704 7.3615 114.4146 52.2664 39.2116 175.7533 135 L 4.1946 8.0431 117.3653 55.1644 42.4009 178.9970 136 K 3.8196 8.7643 120.1045 57.9961 32.0442 176.0873 137 Q 3.8538 8.7372 120.5150 55.5460 27.5384 178.0891 138 E 4.2042 8.8313 122.5718 56.9452 30.4465 176.9346 139 N 4.7637 9.0295 116.5366 50.8167 37.4091 174.3888 140 A 4.1877 8.7875 135.0000 53.1396 16.1629 175.8657 141 Y 4.9260 8.5343 119.3049 57.3678 40.3903 174.7828 142 L 4.9291 8.9156 125.9691 53.6885 44.4563 175.1305 143 L 5.3839 8.5523 124.0489 53.2392 46.3678 175.4796 144 I 5.4444 9.2762 122.8160 58.4385 41.4637 174.5237 145 R 4.9191 7.8675 120.8716 54.4325 33.6408 175.6402 146 R 4.1353 9.2819 118.2028 56.9439 30.8572 176.3156 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 S 8.33 4.35 0.00 3.90 4.02 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 0.00 0.00 0.00 3 N 8.18 4.31 0.00 2.91 3.17 0.00 0.00 7.04 6.17 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 4 T 8.83 4.86 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 1.35 0.00 0.00 5 L 8.97 5.00 0.00 1.62 1.74 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.07 4.89 0.00 3.07 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 7 D 6.92 4.57 0.00 2.58 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 0.00 0.00 0.00 0.00 8 D 8.46 4.41 0.00 2.26 2.31 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 9 I 7.91 4.98 1.78 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 1.31 0.58 0.90 0.00 0.00 10 F 9.62 5.15 0.00 2.92 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 11 Q 9.04 4.78 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 12 V 8.48 4.26 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 0.94 0.00 0.00 0.94 0.00 0.00 13 S 10.27 4.79 0.00 3.89 3.93 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 0.00 0.00 0.00 14 E 7.86 4.61 0.00 2.03 1.80 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 2.25 2.27 0.00 15 V 8.50 4.35 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 0.74 0.00 0.00 0.94 0.00 0.00 16 D 8.53 4.64 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 2.28 2.27 0.00 3.79 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 2.05 1.97 0.00 18 G 7.45 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 0.00 0.00 0.00 19 R 8.33 3.70 0.00 1.58 1.68 0.00 3.21 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 20 Y 7.46 5.24 0.00 3.12 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 21 N 8.80 5.11 0.00 2.72 2.83 0.00 0.00 6.64 7.61 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 22 K 8.23 4.60 0.00 1.67 1.80 0.00 1.60 0.00 0.00 2.07 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.41 7.81 23 V 7.84 4.75 1.80 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 0.78 0.00 0.00 0.84 0.00 0.00 24 C 9.22 5.10 0.00 2.84 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 25 R 8.43 4.58 0.00 2.02 1.84 0.00 3.09 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 26 I 8.83 4.88 1.88 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 1.05 2.15 0.80 0.00 0.00 27 E 8.37 4.90 0.00 2.07 1.71 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 2.27 2.37 0.00 28 A 9.10 5.63 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 29 A 8.63 5.35 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 30 S 8.54 4.15 0.00 3.50 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 31 T 8.24 3.97 4.17 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 1.18 0.00 0.00 32 T 7.89 3.96 4.16 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 1.16 0.00 0.00 33 Q 7.39 4.62 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.02 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 34 D 8.53 4.46 0.00 2.67 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 35 Q 7.68 4.43 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 36 C 7.54 4.91 0.00 3.26 2.99 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 37 K 8.51 4.85 0.00 1.85 1.63 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.39 7.81 38 L 9.04 5.08 0.00 1.37 1.10 0.21 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.55 5.07 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 1.32 0.00 0.00 40 L 8.25 4.91 0.00 1.55 1.30 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.86 5.21 0.00 2.76 2.66 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 42 I 8.85 4.23 1.83 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.62 0.93 0.00 0.00 43 N 9.61 4.99 0.00 2.80 2.84 0.00 0.00 6.69 8.34 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 44 V 8.14 4.06 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 1.04 0.00 0.00 0.96 0.00 0.00 45 E 8.49 4.03 0.00 1.99 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 2.31 2.35 0.00 46 L 8.37 4.39 0.00 1.83 1.76 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.94 4.68 0.00 3.39 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 48 P 0.00 4.70 0.00 1.91 1.89 0.00 3.27 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 49 V 8.15 4.18 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 0.83 0.00 0.00 1.14 0.00 0.00 50 A 8.17 4.60 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 51 A 8.54 3.99 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 52 Q 8.23 3.52 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 53 D 7.67 4.72 0.00 2.88 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 54 S 8.50 4.62 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 55 L 9.03 4.96 0.00 1.53 1.41 0.82 0.62 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 56 T 8.20 4.96 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 1.25 0.00 0.00 57 V 9.05 4.92 2.43 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 0.95 0.00 0.00 0.81 0.00 0.00 58 T 8.92 5.43 4.39 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 1.32 0.00 0.00 59 I 8.97 5.38 1.95 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.76 0.85 0.00 0.00 60 A 8.65 5.19 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 61 S 8.31 4.63 0.00 4.06 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 62 S 8.31 4.50 0.00 3.95 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 63 L 7.93 4.07 0.00 1.57 1.68 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.27 4.17 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 77 R 7.91 3.68 0.00 1.98 1.54 0.00 3.17 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 78 S 8.51 4.75 0.00 3.82 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 79 W 8.61 4.47 0.00 3.22 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 80 R 7.50 4.23 0.00 1.46 1.54 0.00 3.20 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 81 P 0.00 3.49 0.00 1.89 1.92 0.00 3.69 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 82 P 0.00 4.05 0.00 2.04 2.18 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 83 Q 7.91 3.25 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.77 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 84 A 7.56 4.39 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 85 G 8.00 3.79 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 0.00 0.00 0.00 86 D 7.62 4.61 0.00 2.61 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 87 R 7.79 4.50 0.00 1.77 1.85 0.00 3.35 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 88 S 8.14 4.34 0.00 3.91 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 89 L 8.23 4.74 0.00 1.60 1.61 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.01 4.29 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 91 D 8.01 4.66 0.00 2.93 2.92 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 92 D 7.71 4.25 0.00 2.27 2.44 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 93 Y 7.17 4.86 0.00 3.01 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 94 D 8.77 4.76 0.00 2.52 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 95 Y 8.24 4.74 0.00 2.67 2.31 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 96 V 8.03 5.07 2.19 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 0.83 0.00 0.00 1.14 0.00 0.00 97 M 9.28 4.88 0.00 1.73 1.34 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 98 Y 8.45 4.73 0.00 2.76 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 99 G 7.27 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 0.00 100 T 8.65 4.75 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 1.17 0.00 0.00 101 A 8.42 3.80 0.65 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 0.00 102 Y 8.73 4.48 0.00 2.90 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 4.17 0.00 1.36 1.73 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.30 7.81 104 F 8.53 4.95 0.00 2.75 3.01 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 0.00 105 E 8.64 4.23 0.00 2.23 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 0.00 2.36 2.32 0.00 106 E 8.61 4.78 0.00 2.01 1.85 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 2.39 2.28 0.00 107 V 8.12 3.85 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 0.94 0.00 0.00 108 S 8.60 3.97 0.00 3.92 3.77 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 0.00 109 K 8.67 3.60 0.00 2.06 1.97 0.00 1.51 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.41 7.81 110 D 8.68 4.44 0.00 3.00 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 0.00 111 L 7.10 4.27 0.00 2.09 1.65 0.93 0.57 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 0.00 112 I 8.38 4.85 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.44 0.93 0.00 0.00 113 A 8.76 4.88 0.95 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 0.00 114 V 8.24 4.07 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 -0.16 0.00 0.00 0.84 0.00 0.00 115 Y 7.77 4.88 0.00 1.86 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 0.00 0.00 0.00 116 Y 9.69 4.93 0.00 2.72 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 0.00 0.00 0.00 117 S 9.20 4.95 0.00 3.70 3.52 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 0.00 118 F 9.36 4.95 0.00 3.00 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 0.00 119 G 9.81 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 0.00 120 G 7.97 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 0.00 121 L 8.31 4.31 0.00 1.88 1.88 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.94 5.33 0.00 1.88 1.76 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.54 5.19 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 124 R 9.07 4.32 0.00 1.74 1.66 0.00 3.15 0.00 0.00 3.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 125 L 8.38 4.70 0.00 1.51 1.24 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.64 4.96 0.00 1.90 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 2.15 2.33 0.00 127 G 8.52 4.13 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 0.00 0.00 0.00 128 N 8.61 4.97 0.00 2.81 2.85 0.00 0.00 6.65 7.56 0.00 0.00 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 8.03 5.17 0.00 3.15 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 0.00 130 R 8.09 4.07 0.00 1.94 1.94 0.00 3.05 0.00 0.00 2.97 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 131 N 6.79 4.15 0.00 2.96 2.08 0.00 0.00 7.15 6.74 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 0.00 132 L 8.55 4.77 0.00 1.68 1.69 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.90 5.07 0.00 2.99 2.83 0.00 0.00 6.92 6.92 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 0.00 134 N 7.36 4.77 0.00 2.85 2.88 0.00 0.00 7.15 7.73 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 0.00 135 L 8.04 4.19 0.00 1.95 1.65 0.96 0.96 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 0.00 136 K 8.76 3.82 0.00 1.53 1.74 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.73 0.52 7.81 137 Q 8.74 3.85 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.01 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 138 E 8.83 4.20 0.00 1.94 2.00 0.00 0.00 0.00 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 2.36 0.00 139 N 9.03 4.76 0.00 2.85 2.27 0.00 0.00 6.97 7.23 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 0.00 140 A 8.79 4.19 1.58 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 0.00 0.00 141 Y 8.53 4.93 0.00 2.95 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 0.00 142 L 8.92 4.93 0.00 1.67 1.08 0.74 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.55 5.38 0.00 1.74 1.75 1.15 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.28 5.44 1.63 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.44 0.42 0.00 0.00 145 R 7.87 4.92 0.00 2.13 2.21 0.00 3.21 0.00 0.00 3.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 146 R 9.28 4.14 0.00 1.92 2.00 0.00 3.42 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 * Residues marked with a * may have inaccurate shift predictions.