NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0200 8.3549 109.7316 46.3373 0.0000 175.1114 17 I 3.7921 8.4746 121.2197 63.5674 38.2275 175.6384 18 T 3.9168 7.8745 116.3401 63.0444 69.8785 174.4039 19 G 3.6104 7.1150 112.1294 44.9378 0.0000 170.6445 20 T 4.6525 7.4232 116.7366 61.6134 70.0122 174.6042 21 W 4.9935 8.9633 125.5151 55.0383 33.5240 174.0184 22 Y 6.1099 9.5998 119.0733 55.4629 41.8575 175.1351 23 N 5.6605 8.9886 120.5712 50.2315 39.9539 175.4018 24 Q 4.0081 8.7380 116.2227 58.9034 28.2244 177.6247 25 L 4.4267 8.2688 115.5043 54.2938 42.0767 177.0078 26 G 4.0188 8.3023 107.4880 45.0476 0.0000 174.2713 27 S 4.4894 8.4167 116.1959 58.6856 64.4003 173.2386 28 T 4.8543 8.7674 119.6080 61.7577 71.6405 173.1890 29 F 5.2150 9.5355 127.8943 56.6979 42.4066 173.5123 30 I 4.6167 8.5817 128.9629 59.5221 38.8195 175.4941 31 V 4.6390 8.1612 126.5082 59.9336 35.1237 174.5219 32 T 4.7256 9.2091 120.2204 61.6781 71.2545 173.0215 33 A 4.5909 8.3224 129.0276 50.8208 19.2663 177.5456 34 G 3.9076 9.5538 112.1985 44.7913 0.0000 174.0556 35 A 4.1901 8.4728 121.7656 53.8056 18.5818 178.0572 36 D 4.5766 8.1582 114.0442 52.9639 39.9423 177.2156 37 G 3.0712 8.0454 108.1197 45.1950 0.0000 172.9772 38 A 4.8620 7.8693 121.1447 51.0595 20.6489 176.8109 39 L 5.3256 9.0861 121.2629 53.1902 44.8407 175.9296 40 T 4.9997 9.3406 112.6759 59.5527 72.7458 174.5807 41 G 4.0010 7.0624 108.3062 46.6518 0.0000 171.1063 42 T 5.2524 8.3248 116.5841 62.2387 73.5956 172.5116 43 Y 5.1735 9.5410 126.0819 55.7836 42.1697 173.6925 44 E 4.8891 8.9184 127.4292 54.7714 31.7948 176.1576 45 S 4.6844 9.0655 120.6133 59.2306 64.2033 173.9546 *52 S 4.2483 7.5533 113.4793 58.2084 62.3102 172.9815 53 R 4.6592 8.2681 118.0022 55.6815 31.3671 174.9775 54 Y 4.8970 8.7514 117.5770 55.9466 41.8340 175.3857 55 V 4.3572 8.6616 123.1081 62.9054 32.4982 175.0605 56 L 5.2157 8.9333 127.0485 54.4074 43.7693 175.2247 57 T 4.8479 8.5712 114.6261 61.1847 71.6994 173.0782 58 G 4.6349 8.2815 111.4227 46.4323 0.0000 172.0675 59 R 5.5962 8.5046 117.5837 54.8151 34.6409 174.2673 60 Y 5.2990 8.6330 118.0472 55.4580 42.0741 174.6376 61 D 4.3618 9.1564 120.5500 54.0194 40.5033 176.7977 62 S 4.3578 8.1839 120.7025 59.1566 63.9209 174.9275 63 A 4.6563 8.2819 124.1755 50.5699 19.1943 173.3983 64 P 5.1118 0.0000 0.0000 60.2040 33.1235 177.0149 65 A 4.1458 8.3129 121.3609 52.6025 18.9889 177.9672 66 T 4.0277 8.7042 119.0581 66.8284 68.6973 176.4176 67 D 4.2623 8.1369 117.0890 54.5276 39.1661 177.3328 68 G 3.9722 8.5445 108.0604 45.6053 0.0000 174.4819 69 S 4.2432 8.3644 116.0955 58.2591 63.2884 174.3453 70 G 3.9928 8.4100 110.7491 46.4666 0.0000 172.6818 71 T 4.7653 8.8966 116.7487 61.5500 70.0190 174.8860 72 A 4.8068 8.6587 129.5615 52.2642 19.8282 175.9224 73 L 5.0372 9.0229 120.8935 55.4835 44.6460 174.0898 74 G 4.6096 9.2584 105.3039 45.7634 0.0000 172.0524 75 W 5.6968 8.3813 117.1286 55.8619 32.4286 173.2878 76 T 5.2553 9.2558 116.0734 61.8642 72.4462 173.4850 77 V 4.7959 8.7602 123.9311 61.0848 34.6792 173.8891 78 A 4.5683 8.4343 129.5688 49.9863 20.2415 177.9856 79 F 3.7243 8.8303 124.8765 55.9789 37.7734 175.4364 80 K 5.2682 7.7547 120.4830 54.6960 35.5514 174.6655 81 N 4.9174 9.0226 123.4247 52.3516 39.3772 173.6723 82 N 4.4496 8.7904 113.8583 55.7926 39.0775 175.3946 83 Y 4.4238 8.4392 115.4413 59.2879 39.1061 175.7966 84 R 4.7531 7.9552 116.0770 54.6845 34.4576 173.7031 85 N 5.1774 8.4738 116.5756 52.4825 40.5354 173.6617 86 A 4.2799 9.2481 128.8635 51.8830 19.7080 176.2741 87 H 4.2239 8.4492 113.1432 56.4004 26.9805 174.2109 88 S 5.3114 7.5382 112.1666 57.3227 68.1199 174.4964 89 A 5.1045 9.1572 123.4244 50.5550 22.7233 175.1259 90 T 4.9856 8.7655 117.6304 61.6978 72.1506 173.2230 91 T 4.9418 8.5246 115.6749 59.6153 71.8674 172.6869 92 W 4.9824 8.6404 125.4088 54.8009 31.4758 174.8400 93 S 4.9414 8.9248 119.5101 56.5644 64.9112 173.0036 94 G 4.3358 8.6628 112.8175 46.8307 0.0000 171.7230 95 Q 5.3203 8.4590 118.5655 55.2448 32.3903 173.4217 96 Y 4.9406 8.9823 123.0472 56.8445 40.8693 174.3278 97 V 4.3109 8.1321 125.7777 60.8276 34.2040 175.2727 98 G 3.8612 8.6041 115.3065 45.3550 0.0000 172.9508 99 G 3.9832 8.0271 105.9403 45.5465 0.0000 171.8088 100 A 4.0142 8.4996 121.5779 54.6388 18.3883 177.8359 101 E 4.3912 7.7856 117.7127 54.1814 28.7866 174.5091 102 A 4.5582 8.1376 126.2259 51.7449 19.5797 176.4693 103 R 5.2557 8.8096 116.2075 55.0614 33.8622 174.0397 104 I 4.9484 8.9788 121.1951 59.8621 40.2478 174.2952 105 N 5.3364 9.0140 126.1166 52.1303 40.1370 174.5981 106 T 5.3074 9.2188 113.7723 60.0793 72.9347 172.8262 107 Q 5.2513 9.0914 122.0068 54.0080 31.9454 174.6863 108 W 5.9365 8.1249 117.9789 53.6194 32.3560 173.8958 109 L 5.1310 8.2497 119.6183 52.9683 45.1601 174.9993 110 L 4.9411 9.2652 126.6049 53.7077 44.3581 174.8950 111 T 5.0144 9.0275 124.0356 61.9697 70.9289 173.7547 112 S 5.1371 8.5671 122.5536 56.3914 65.3414 174.4239 113 G 3.8414 8.6524 111.5549 46.6364 0.0000 173.1445 114 T 4.7639 8.3494 114.6508 59.4041 72.0893 173.4935 115 T 4.5753 8.0324 112.5875 61.0879 70.3049 175.3697 116 E 3.9655 8.7963 120.0800 59.5680 29.2112 179.3565 117 A 4.2826 8.0833 118.3717 53.9803 18.8357 177.9809 118 N 4.7690 7.8163 113.4667 52.8968 39.4952 176.3100 119 A 4.3346 8.0758 125.0146 54.1614 18.1802 179.7280 120 W 4.3672 8.3239 114.2432 58.3239 28.1870 176.7153 121 K 4.1727 6.6603 118.8915 56.1767 32.4128 177.3591 122 S 4.2296 7.8992 116.4702 60.7299 63.6804 173.3470 123 T 5.1318 7.5419 117.1428 61.6740 70.8702 173.5953 124 L 4.6724 8.8861 127.1923 53.7057 43.6830 176.2386 125 V 4.3450 7.7289 120.5287 60.2557 34.8396 174.6959 126 G 3.0387 6.3887 107.5362 45.6740 0.0000 171.2779 127 H 5.4781 8.3505 114.3079 53.9403 31.4120 172.5997 128 D 5.3705 9.5362 121.5774 52.8497 44.6406 174.9449 129 T 5.1216 9.1989 119.1738 61.9849 71.2246 173.3153 130 F 5.4815 9.8207 125.4586 56.4451 42.0310 174.7338 131 T 5.3995 9.3859 115.1696 61.0877 70.9511 174.5068 132 K 4.1548 8.8995 124.1212 56.9289 32.6585 176.9842 133 V 4.3419 7.5630 119.0431 60.5893 33.3269 174.6010 134 K 3.8710 8.1101 128.0072 54.6962 32.9137 174.6438 135 P 4.3948 0.0000 0.0000 62.8956 31.2134 176.1936 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 16 G 8.35 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 0.00 0.00 0.00 17 I 8.47 3.79 1.38 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 0.73 -0.30 0.56 0.00 0.00 18 T 7.87 3.92 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 1.17 0.00 0.00 19 G 7.12 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 0.00 0.00 0.00 20 T 7.42 4.65 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 0.77 0.00 0.00 21 W 8.96 4.99 0.00 3.34 3.34 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 22 Y 9.60 6.11 0.00 2.95 2.85 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 0.00 23 N 8.99 5.66 0.00 2.40 1.82 0.00 0.00 6.46 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 24 Q 8.74 4.01 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 25 L 8.27 4.43 0.00 1.79 1.75 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.30 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 0.00 0.00 0.00 27 S 8.42 4.49 0.00 3.98 3.68 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 28 T 8.77 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 1.10 0.00 0.00 29 F 9.54 5.22 0.00 2.92 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 30 I 8.58 4.62 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.75 0.00 0.00 31 V 8.16 4.64 0.67 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 0.12 0.00 0.00 0.73 0.00 0.00 32 T 9.21 4.73 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 1.16 0.00 0.00 33 A 8.32 4.59 0.77 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 0.00 0.00 34 G 9.55 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 0.00 0.00 0.00 35 A 8.47 4.19 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 36 D 8.16 4.58 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 37 G 8.05 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 0.00 0.00 0.00 38 A 7.87 4.86 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 39 L 9.09 5.33 0.00 1.79 1.60 0.73 0.69 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 40 T 9.34 5.00 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 1.23 0.00 0.00 41 G 7.06 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 0.00 0.00 0.00 42 T 8.32 5.25 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 1.22 0.00 0.00 43 Y 9.54 5.17 0.00 3.04 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 44 E 8.92 4.89 0.00 1.99 1.69 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 2.18 2.41 0.00 45 S 9.07 4.68 0.00 4.29 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 *52 S 7.55 4.25 0.00 3.27 3.48 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 53 R 8.27 4.66 0.00 1.82 1.86 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 54 Y 8.75 4.90 0.00 2.99 2.81 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 55 V 8.66 4.36 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 0.83 0.00 0.00 0.97 0.00 0.00 56 L 8.93 5.22 0.00 1.98 1.79 0.74 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.57 4.85 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 1.27 0.00 0.00 58 G 8.28 4.63 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 0.00 0.00 0.00 59 R 8.50 5.60 0.00 1.78 1.80 0.00 3.31 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 60 Y 8.63 5.30 0.00 3.06 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 61 D 9.16 4.36 0.00 2.81 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 62 S 8.18 4.36 0.00 3.89 3.37 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 0.00 0.00 0.00 0.00 63 A 8.28 4.66 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 64 P 0.00 5.11 0.00 2.26 2.17 0.00 3.45 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 65 A 8.31 4.15 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 66 T 8.70 4.03 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 1.23 0.00 0.00 67 D 8.14 4.26 0.00 2.77 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 68 G 8.54 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 0.00 0.00 0.00 69 S 8.36 4.24 0.00 3.93 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 0.00 70 G 8.41 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 0.00 0.00 0.00 71 T 8.90 4.77 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 1.43 0.00 0.00 72 A 8.66 4.81 1.30 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 0.00 0.00 0.00 73 L 9.02 5.04 0.00 2.08 1.92 0.94 0.54 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 74 G 9.26 4.61 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 0.00 75 W 8.38 5.70 0.00 3.54 3.27 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 76 T 9.26 5.26 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 1.24 0.00 0.00 77 V 8.76 4.80 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 0.21 0.00 0.00 0.92 0.00 0.00 78 A 8.43 4.57 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 79 F 8.83 3.72 0.00 3.05 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 80 K 7.75 5.27 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 81 N 9.02 4.92 0.00 2.74 2.63 0.00 0.00 7.08 8.49 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 82 N 8.79 4.45 0.00 2.27 2.59 0.00 0.00 6.70 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 83 Y 8.44 4.42 0.00 3.04 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 84 R 7.96 4.75 0.00 1.98 1.86 0.00 3.14 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 85 N 8.47 5.18 0.00 2.64 2.58 0.00 0.00 6.92 7.96 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 86 A 9.25 4.28 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 87 H 8.45 4.22 0.00 3.37 3.32 0.00 5.61 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 88 S 7.54 5.31 0.00 3.88 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 89 A 9.16 5.10 1.14 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 0.00 0.00 90 T 8.77 4.99 3.72 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 -0.29 0.00 0.00 91 T 8.52 4.94 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 1.14 0.00 0.00 92 W 8.64 4.98 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.92 4.94 0.00 3.75 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.66 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 0.00 0.00 0.00 95 Q 8.46 5.32 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 96 Y 8.98 4.94 0.00 2.96 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 97 V 8.13 4.31 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 0.87 0.00 0.00 0.92 0.00 0.00 98 G 8.60 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 99 G 8.03 3.98 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 0.00 0.00 0.00 100 A 8.50 4.01 1.30 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 0.00 0.00 0.00 101 E 7.79 4.39 0.00 1.95 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 2.25 2.30 0.00 102 A 8.14 4.56 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.81 5.26 0.00 2.16 2.11 0.00 2.81 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 104 I 8.98 4.95 1.75 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.32 1.07 0.00 0.00 105 N 9.01 5.34 0.00 2.73 2.82 0.00 0.00 6.08 7.21 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 0.00 106 T 9.22 5.31 4.50 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 1.39 0.00 0.00 107 Q 9.09 5.25 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 108 W 8.12 5.94 0.00 2.61 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 0.00 109 L 8.25 5.13 0.00 1.49 1.51 0.86 0.27 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 0.00 110 L 9.27 4.94 0.00 1.65 1.70 0.93 0.39 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 0.00 111 T 9.03 5.01 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 1.24 0.00 0.00 112 S 8.57 5.14 0.00 3.70 3.74 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 0.00 113 G 8.65 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 0.00 114 T 8.35 4.76 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 1.11 0.00 0.00 115 T 8.03 4.58 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 1.21 0.00 0.00 116 E 8.80 3.97 0.00 2.05 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 2.42 2.39 0.00 117 A 8.08 4.28 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 0.00 118 N 7.82 4.77 0.00 2.71 2.68 0.00 0.00 6.70 7.31 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 0.00 119 A 8.08 4.33 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 0.00 120 W 8.32 4.37 0.00 3.62 3.26 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 0.00 121 K 6.66 4.17 0.00 1.20 0.74 0.00 1.21 0.00 0.00 1.18 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.82 7.81 122 S 7.90 4.23 0.00 4.13 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 0.00 123 T 7.54 5.13 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 1.17 0.00 0.00 124 L 8.89 4.67 0.00 1.80 1.71 0.98 0.76 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 0.00 125 V 7.73 4.34 1.87 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 0.53 0.00 0.00 0.68 0.00 0.00 126 G 6.39 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 0.00 0.00 0.00 127 H 8.35 5.48 0.00 3.20 3.12 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.54 5.37 0.00 3.25 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 0.00 129 T 9.20 5.12 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 1.39 0.00 0.00 130 F 9.82 5.48 0.00 3.05 3.33 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 0.00 131 T 9.39 5.40 4.46 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 1.41 0.00 0.00 132 K 8.90 4.15 0.00 1.58 1.52 0.00 1.22 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 0.73 7.81 133 V 7.56 4.34 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 0.77 0.00 0.00 0.94 0.00 0.00 134 K 8.11 3.87 0.00 0.79 1.14 0.00 1.23 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.11 1.04 7.81 135 P 0.00 4.39 0.00 2.07 1.95 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.