NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5254 8.1927 115.5547 58.3167 65.1611 171.6536 4 V 4.8208 8.2698 120.0113 59.2627 34.1438 173.1992 5 R 4.7222 9.7562 124.6223 54.4729 33.0784 173.5284 6 I 5.0443 8.3970 123.1792 59.9765 38.7779 175.0785 7 R 4.7803 9.0929 122.5502 54.2155 33.4199 174.1695 8 E 4.4072 8.9589 119.0258 56.8986 29.9212 177.2204 9 A 4.5298 8.8084 125.6148 52.1595 19.3865 176.9483 10 K 4.9091 9.6815 119.1476 54.0644 35.6548 177.3689 11 E 2.8810 8.3417 119.8332 59.5065 28.9135 180.0152 12 G 3.6813 7.8337 103.7021 47.1528 0.0000 174.4150 13 D 4.6247 8.3156 120.3803 55.6732 40.9694 178.0277 14 C 4.3137 8.0550 118.6347 62.5970 28.1397 175.9989 15 G 3.6410 8.0452 106.7630 48.0749 0.0000 175.2430 16 D 4.3697 8.0210 121.4471 56.9699 40.9093 178.8516 17 I 3.4367 8.1392 120.7187 64.1305 37.0687 178.2460 18 L 3.8830 8.1403 121.4569 58.1249 41.9798 179.1909 19 R 3.8920 7.8369 117.8759 59.3688 29.9277 179.1076 20 L 3.9567 7.8179 118.6901 57.5030 41.4973 179.4919 21 I 4.0557 7.6770 121.6320 63.9631 37.0421 178.6111 22 R 3.8831 7.9186 118.7663 59.1959 29.7415 179.0561 23 E 3.8775 7.8157 118.2622 59.2597 29.3401 179.1712 24 L 3.8507 7.7389 120.3803 57.8663 42.1596 178.6840 25 A 4.0397 8.2273 121.0466 55.2181 18.3234 179.2849 26 E 3.9000 8.2092 117.6956 59.3501 29.5415 178.4745 27 F 4.1823 8.4162 119.9323 61.6501 39.5460 176.4756 28 E 4.5918 8.7217 115.1447 56.0609 30.8249 176.1473 29 K 3.6556 8.3895 117.6042 57.0117 29.2978 173.7407 30 L 3.8593 8.0051 121.2527 54.6285 43.0212 176.0086 *35 K 4.1426 8.1940 119.5020 56.8043 33.0405 176.1602 36 I 4.4975 7.4315 118.4726 59.3238 40.2613 176.9693 37 S 4.6599 8.3207 120.0445 57.0476 66.0282 174.6907 38 E 3.9131 8.6248 122.9964 59.4207 29.2965 178.5266 39 E 3.8431 8.2408 118.5466 59.3641 29.6654 178.3671 40 A 4.0067 8.3659 120.9306 55.2587 18.3381 179.3296 41 L 4.4148 7.8554 118.6138 57.6299 41.3908 180.1057 42 R 4.0069 8.0891 117.4598 59.1420 29.8277 179.1137 43 A 3.8474 8.1006 120.4014 55.4566 18.5155 179.5581 44 D 3.8002 8.7311 117.8754 56.6960 40.6972 178.4972 45 G 3.2871 7.9538 105.9856 46.7144 0.0000 174.0130 46 F 4.8000 7.4789 115.5106 56.4186 43.4410 176.1969 47 G 3.8999 7.7464 105.8799 47.1382 0.0000 173.2654 48 D 4.5696 9.3678 118.8476 56.0676 42.5965 176.8097 49 N 4.5450 8.2869 113.0999 53.1958 35.2237 172.6313 50 P 4.4574 0.0000 0.0000 62.1129 32.4646 176.2651 51 F 4.6238 8.5817 120.7235 60.6669 39.2754 174.4911 52 Y 4.8789 6.4182 116.6155 56.5561 41.5331 173.0987 53 H 4.7050 9.0545 115.5353 53.9850 33.1493 172.4222 54 C 5.3829 8.4906 121.7413 57.6061 34.6184 172.2093 55 L 5.2760 9.1288 125.6487 53.1566 44.2931 175.7622 56 V 4.9851 9.0458 115.6570 59.5806 35.2656 174.3611 57 A 5.0401 8.8213 126.0648 50.5046 20.9654 175.6331 58 E 4.9773 8.9459 123.4023 54.4509 33.2300 174.4894 59 I 4.4778 8.7511 128.3330 60.6010 39.0085 174.9167 60 L 4.2149 8.8835 127.8364 53.1152 42.0645 176.2847 *68 G 3.8947 8.3270 115.7844 44.9302 0.0000 169.2471 69 P 5.3865 0.0000 0.0000 61.8768 32.5779 175.8238 70 C 4.8520 8.3081 116.2665 56.4780 33.4846 172.7846 71 V 4.4383 8.3864 121.3366 62.4469 31.9494 175.7422 72 V 4.3434 8.6347 120.1453 60.7307 33.6251 175.0160 73 G 4.3764 7.8819 106.9786 46.4889 0.0000 171.6776 74 Y 5.4674 8.7620 117.7291 56.0433 41.8601 173.7652 75 G 4.3398 9.3599 106.3836 44.5241 0.0000 171.5569 76 I 5.3811 8.5888 121.7092 59.4210 40.8048 174.3586 77 Y 5.2322 8.9218 124.2196 55.5939 42.2460 173.2572 78 Y 5.1523 7.8651 117.2567 55.8039 42.4387 173.3524 79 F 5.3705 8.9820 118.2017 56.8096 40.3422 175.9176 80 I 4.9554 9.1506 117.1930 60.4470 40.9219 173.2916 81 Y 5.1249 8.6992 120.4730 56.8887 41.9488 174.7289 82 S 4.7980 8.3204 120.6539 56.5077 64.7064 175.0052 83 T 4.3883 8.6715 116.3305 63.2006 69.1951 175.2534 84 W 4.5038 8.3611 121.2033 57.5881 29.9674 176.9552 85 K 4.4728 8.3269 115.3720 55.3594 34.6104 177.7979 86 G 3.2378 7.9272 106.6784 44.1136 0.0000 174.1025 87 R 4.4854 8.4647 122.3311 57.2585 31.1136 175.6919 88 T 5.0528 8.9159 119.0034 62.1543 73.4646 172.9612 89 I 4.8883 8.4563 124.4221 60.0080 40.2569 173.9943 90 Y 4.8335 8.9129 126.3304 55.6918 41.3847 174.1869 91 L 4.3760 8.3682 130.2236 54.2871 41.8768 175.8802 92 E 4.2513 8.9716 128.5859 58.7559 30.2370 176.2742 93 D 5.0773 7.9145 118.4700 52.4140 44.5322 174.6665 94 I 4.7609 7.9727 121.4494 59.7919 41.3119 173.3289 95 Y 4.6304 8.3055 128.6509 55.7512 42.4540 172.4458 96 V 4.7155 7.1096 125.6211 61.1910 32.0110 174.6192 *98 P 4.4639 0.0000 0.0000 62.2982 32.7951 178.2717 99 E 3.7992 8.2565 115.5688 58.9620 29.3352 177.3333 100 Y 4.5052 7.6443 113.2443 57.5759 38.4268 175.8698 101 R 4.1391 7.6669 119.4644 56.4180 30.8309 175.8485 102 G 4.0406 8.6196 105.6181 46.9566 0.0000 173.8308 103 Q 4.4690 7.8372 113.8219 55.5512 29.4780 176.0126 104 G 3.9751 8.5314 106.0756 47.0793 0.0000 176.3224 105 I 3.7938 7.7443 121.2671 64.2711 37.1960 178.2569 106 G 3.5843 8.0017 106.0822 47.9933 0.0000 175.6952 107 S 4.2098 8.0354 117.1209 61.3104 62.8878 176.8389 108 K 3.9850 8.0812 121.2473 59.3160 31.7616 179.5436 109 I 3.6915 7.8959 120.3160 64.3431 37.0001 178.4688 110 I 3.6733 7.8255 120.5830 64.4190 36.9324 178.5516 111 K 3.9139 8.2829 119.4815 59.4073 31.7598 179.2940 112 K 3.8449 8.0758 119.8474 59.3505 32.0770 179.0714 113 V 3.0159 7.6259 118.3289 65.6282 31.3265 177.8128 114 A 3.6798 7.6131 120.4913 54.9723 18.2075 179.4213 115 E 3.8161 8.1510 117.0680 59.5959 29.6083 179.6367 116 V 3.4996 7.8415 118.2286 65.9064 31.4449 177.4668 117 A 3.9508 8.0303 120.7207 55.5686 18.2126 179.6241 118 L 3.9737 7.9234 116.8475 57.9770 41.4948 179.3149 119 D 4.4131 8.0785 116.9885 56.5702 41.1043 177.5174 120 K 4.5149 7.7726 116.5082 55.3765 32.4065 176.5179 121 G 3.8151 7.9022 106.5745 46.7325 0.0000 173.6791 122 C 5.0452 8.5905 118.0603 56.9008 28.8227 174.5636 123 S 4.3679 8.6943 120.3681 60.3367 63.5624 173.7109 124 Q 4.8828 7.6550 118.1843 55.0051 31.8724 173.2843 125 F 5.4508 8.3320 113.8401 55.3545 41.2675 173.5657 126 R 4.7125 9.0058 121.0178 54.7560 33.2181 174.1809 127 L 4.0730 7.9599 122.0564 54.3802 43.6604 174.3606 128 A 4.9266 8.1528 121.8289 50.3193 21.5334 176.1171 129 V 4.5066 7.9480 119.5522 59.6984 34.7359 174.9079 130 L 4.0462 8.0026 122.2534 54.3402 42.0058 178.0203 131 D 4.3858 8.4792 122.5228 55.2283 39.6471 177.4611 132 W 4.3491 7.6928 116.2870 58.5897 29.0094 176.4161 133 N 4.7504 7.0761 120.4364 52.3344 36.5870 174.5278 134 Q 4.1386 7.8856 119.5561 58.6501 30.1194 178.5743 135 R 3.9568 8.0929 116.7323 59.1811 30.4707 178.9415 136 A 3.5616 7.7708 117.9925 52.7356 17.7671 178.7566 *138 D 4.4899 8.2033 121.0067 55.8246 43.0696 177.9315 139 L 3.8480 7.6151 119.9403 58.4087 42.0296 178.5139 140 Y 4.3501 7.4288 116.6146 61.2359 37.8038 179.0018 141 K 4.2293 8.3298 119.8714 58.9387 32.0125 179.0133 142 A 4.0496 8.0995 120.2620 54.8796 18.3631 178.7478 143 L 4.3708 7.7522 114.7776 54.6890 42.0640 177.5834 144 G 3.9996 7.8481 106.5843 45.0576 0.0000 174.4730 145 A 4.0692 8.2671 123.4211 51.9337 19.0759 176.4915 146 Q 4.5159 8.1363 119.1860 54.2105 30.7760 176.1801 147 D 4.5532 8.4217 121.4350 53.8114 41.5219 176.7727 148 L 4.2050 8.3704 127.9237 56.8769 42.0008 179.2879 149 T 4.1554 7.9746 115.9318 66.8027 68.3050 176.2253 150 E 3.9634 8.1795 118.6165 59.3660 29.6040 179.0842 151 A 4.1432 8.1822 119.8663 54.5742 18.6168 178.0720 152 E 4.2801 8.6232 114.2262 55.8166 31.6925 177.3029 153 G 3.9214 8.0767 106.4119 44.7145 0.0000 173.5332 154 W 4.2366 7.8370 119.5384 56.8146 29.4358 175.0816 155 H 4.9210 8.8092 120.2739 53.6028 30.4546 174.0456 156 F 4.5993 8.7651 123.6961 57.5975 39.3503 174.6575 157 F 4.8290 9.1173 123.8511 55.7380 41.4370 174.5246 158 C 4.9430 8.4124 122.7674 57.6966 34.2287 172.9737 159 F 4.8711 9.2253 125.3950 55.8886 40.5866 175.1145 160 Q 4.7606 8.3618 123.3464 55.0527 33.4139 175.7047 161 G 3.8732 8.5078 110.3996 46.6299 0.0000 176.4447 162 E 4.0099 9.1516 125.2704 58.9833 28.9686 177.9648 163 A 4.1481 8.1588 120.9653 55.6402 18.4188 179.8635 164 T 3.8312 8.0373 113.7607 66.7365 68.3585 177.0567 165 R 3.9250 7.7029 119.0414 59.1958 30.2844 178.9886 166 K 4.1524 8.5613 118.7774 59.1979 31.8418 178.9435 167 L 3.8845 8.1311 119.9209 58.2200 42.0202 178.4355 168 A 4.1682 8.0839 117.1335 51.9134 18.3221 177.5327 169 G 4.2597 8.0240 112.6105 46.0389 0.0000 173.7036 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 3 S 8.19 4.53 0.00 3.92 4.07 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 4 V 8.27 4.82 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 0.84 0.00 0.00 0.93 0.00 0.00 5 R 9.76 4.72 0.00 1.86 1.96 0.00 2.82 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 6 I 8.40 5.04 1.86 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 1.39 0.94 0.96 0.00 0.00 7 R 9.09 4.78 0.00 1.84 1.98 0.00 2.83 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 8 E 8.96 4.41 0.00 1.94 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 2.40 2.40 0.00 9 A 8.81 4.53 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 10 K 9.68 4.91 0.00 1.77 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 E 8.34 2.88 0.00 1.67 1.60 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 1.47 1.86 0.00 12 G 7.83 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 0.00 0.00 0.00 13 D 8.32 4.62 0.00 2.91 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 C 8.06 4.31 0.00 3.03 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 15 G 8.05 3.64 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 0.00 0.00 0.00 16 D 8.02 4.37 0.00 2.85 2.73 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 0.00 0.00 0.00 0.00 17 I 8.14 3.44 1.84 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.66 0.00 0.00 18 L 8.14 3.88 0.00 1.80 1.78 0.93 1.26 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 19 R 7.84 3.89 0.00 2.07 1.95 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 20 L 7.82 3.96 0.00 1.36 1.86 1.07 1.10 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 21 I 7.68 4.06 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.25 0.87 0.00 0.00 22 R 7.92 3.88 0.00 2.01 1.95 0.00 3.11 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 23 E 7.82 3.88 0.00 1.43 1.60 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 2.51 2.51 0.00 24 L 7.74 3.85 0.00 1.55 1.67 1.11 1.46 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 25 A 8.23 4.04 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 26 E 8.21 3.90 0.00 2.15 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 2.35 2.42 0.00 27 F 8.42 4.18 0.00 3.31 3.45 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 28 E 8.72 4.59 0.00 2.17 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 2.74 2.87 0.00 29 K 8.39 3.66 0.00 1.91 1.84 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.37 1.21 7.81 30 L 8.01 3.86 0.00 1.86 1.76 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 *35 K 8.19 4.14 0.00 1.78 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 36 I 7.43 4.50 1.87 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 1.49 0.61 0.95 0.00 0.00 37 S 8.32 4.66 0.00 4.04 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 38 E 8.62 3.91 0.00 2.04 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 2.37 2.37 0.00 39 E 8.24 3.84 0.00 2.06 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 2.37 2.38 0.00 40 A 8.37 4.01 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 41 L 7.86 4.41 0.00 2.11 1.92 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.09 4.01 0.00 2.09 1.93 0.00 3.18 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 43 A 8.10 3.85 1.24 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 0.00 0.00 0.00 44 D 8.73 3.80 0.00 2.69 2.45 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 45 G 7.95 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 0.00 0.00 0.00 46 F 7.48 4.80 0.00 3.20 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 47 G 7.75 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 0.00 0.00 0.00 0.00 48 D 9.37 4.57 0.00 2.57 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 49 N 8.29 4.54 0.00 2.86 3.06 0.00 0.00 6.91 8.02 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 50 P 0.00 4.46 0.00 1.97 1.80 0.00 3.80 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 1.95 1.94 0.00 51 F 8.58 4.62 0.00 2.71 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 52 Y 6.42 4.88 0.00 3.20 3.19 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 53 H 9.05 4.70 0.00 1.40 2.64 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.49 5.38 0.00 3.04 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 55 L 9.13 5.28 0.00 1.67 1.58 0.90 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 56 V 9.05 4.99 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 0.85 0.00 0.00 1.04 0.00 0.00 57 A 8.82 5.04 1.27 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 0.00 0.00 58 E 8.95 4.98 0.00 2.02 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 2.17 2.24 0.00 59 I 8.75 4.48 1.78 0.00 0.00 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 0.96 0.38 0.98 0.00 0.00 60 L 8.88 4.21 0.00 1.46 1.62 0.92 0.89 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 *68 G 8.33 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 69 P 0.00 5.39 0.00 1.95 2.04 0.00 3.68 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 70 C 8.31 4.85 0.00 2.91 2.95 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 71 V 8.39 4.44 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 0.90 0.00 0.00 0.94 0.00 0.00 72 V 8.63 4.34 1.57 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 0.23 0.00 0.00 0.70 0.00 0.00 73 G 7.88 4.38 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 0.00 74 Y 8.76 5.47 0.00 3.19 3.06 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 0.00 0.00 0.00 75 G 9.36 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 76 I 8.59 5.38 1.94 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 1.41 1.10 0.92 0.00 0.00 77 Y 8.92 5.23 0.00 2.86 2.82 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.44 1.72 7.81 86 G 7.93 3.24 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 0.00 0.00 0.00 0.00 87 R 8.46 4.49 0.00 2.01 2.00 0.00 3.09 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 88 T 8.92 5.05 4.35 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 1.34 0.00 0.00 89 I 8.46 4.89 1.80 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.92 0.61 0.00 0.00 90 Y 8.91 4.83 0.00 2.92 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 0.00 0.00 0.00 0.00 91 L 8.37 4.38 0.00 1.48 1.34 0.92 0.86 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 92 E 8.97 4.25 0.00 2.21 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 0.00 2.48 2.43 0.00 93 D 7.91 5.08 0.00 2.68 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 0.00 0.00 0.00 0.00 94 I 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0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 104 G 8.53 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 0.00 105 I 7.74 3.79 1.87 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 1.57 0.57 0.89 0.00 0.00 106 G 8.00 3.58 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 0.00 107 S 8.04 4.21 0.00 4.04 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 0.00 108 K 8.08 3.99 0.00 1.98 1.84 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 109 I 7.90 3.69 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 1.51 1.11 0.86 0.00 0.00 110 I 7.83 3.67 2.06 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 1.09 0.00 0.00 111 K 8.28 3.91 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 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4.93 1.12 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 0.00 0.00 0.00 129 V 7.95 4.51 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 0.87 0.00 0.00 0.86 0.00 0.00 130 L 8.00 4.05 0.00 0.71 0.73 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.48 4.39 0.00 2.79 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 0.00 132 W 7.69 4.35 0.00 3.47 3.25 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 0.00 133 N 7.08 4.75 0.00 1.54 2.48 0.00 0.00 7.20 6.89 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 0.00 134 Q 7.89 4.14 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.23 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 135 R 8.09 3.96 0.00 1.89 1.94 0.00 3.15 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 136 A 7.77 3.56 1.06 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 0.00 0.00 0.00 146 Q 8.14 4.52 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.08 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 147 D 8.42 4.55 0.00 2.72 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 0.00 148 L 8.37 4.20 0.00 1.76 1.90 0.81 0.74 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 0.00 149 T 7.97 4.16 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 1.25 0.00 0.00 150 E 8.18 3.96 0.00 1.98 2.01 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 2.35 2.42 0.00 151 A 8.18 4.14 1.32 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 0.00 152 E 8.62 4.28 0.00 2.07 1.73 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 0.00 2.21 2.25 0.00 153 G 8.08 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 0.00 154 W 7.84 4.24 0.00 3.14 2.89 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 0.00 155 H 8.81 4.92 0.00 3.32 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.77 4.60 0.00 3.11 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 0.00 157 F 9.12 4.83 0.00 3.08 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 0.00 158 C 8.41 4.94 0.00 2.93 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 0.00 159 F 9.23 4.87 0.00 2.98 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 0.00 160 Q 8.36 4.76 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.96 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 161 G 8.51 3.87 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 0.00 0.00 0.00 162 E 9.15 4.01 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 2.43 2.35 0.00 163 A 8.16 4.15 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 0.00 164 T 8.04 3.83 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 1.16 0.00 0.00 165 R 7.70 3.93 0.00 2.01 2.01 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 166 K 8.56 4.15 0.00 1.99 1.91 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.49 1.62 7.81 167 L 8.13 3.88 0.00 1.45 1.71 0.72 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 168 A 8.08 4.17 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 0.00 169 G 8.02 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.