NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4991 8.3349 115.4127 58.3451 64.9878 172.9970 3 N 4.9306 8.0197 120.5538 53.1700 41.1848 172.1275 4 T 4.8215 9.1768 117.1004 63.1114 73.3696 173.1454 5 L 4.8778 8.1662 119.5440 53.6180 43.8267 176.2329 6 F 4.7756 7.7125 118.7899 57.9969 42.4367 171.9584 7 D 4.7490 7.0538 123.3273 52.5534 44.5047 173.5815 8 D 4.2978 7.5205 123.2936 54.4966 46.0431 174.5639 9 I 5.3244 7.9169 120.1619 59.6471 41.4035 174.9589 10 F 5.4323 9.4751 122.7603 56.0257 44.1631 173.2816 11 Q 5.5206 9.0692 120.5409 53.1078 32.0670 174.2837 12 V 4.1904 8.5716 126.5133 63.3362 31.8420 176.4155 13 S 4.3170 9.1281 124.9836 61.0704 63.3804 174.2867 14 E 4.8459 7.5681 117.7245 55.4557 32.5768 174.8605 15 V 4.5710 8.5980 124.8195 61.1033 34.3540 174.1706 16 D 4.8347 8.9475 126.7633 52.1119 44.0003 172.5453 17 P 4.6014 0.0000 0.0000 60.8099 31.1815 175.6406 18 G 3.7097 8.0089 121.0629 44.7452 0.0000 171.3325 19 R 3.9258 7.7603 114.1680 58.2692 27.7576 177.4365 20 Y 5.1331 7.5000 113.7228 55.3287 38.3268 175.8365 21 N 4.2413 8.3433 120.0308 55.6286 38.9014 175.9674 22 K 4.5418 8.0267 114.2436 55.9280 33.5665 175.3162 23 V 4.8728 7.9565 118.7972 61.7219 34.8812 173.3957 24 C 5.2118 9.0752 124.6770 57.9051 31.9555 173.2818 25 R 4.5993 8.6445 123.1216 56.1183 31.2630 175.1368 26 I 5.1491 8.7582 125.6687 59.5642 41.3778 174.2226 27 E 5.7968 8.9245 122.8195 53.7584 32.9406 174.8921 28 A 5.3139 8.5900 124.1980 50.5764 23.6657 173.9469 29 A 5.1613 8.9084 120.1779 50.3373 22.5157 175.6237 30 S 4.4581 8.1358 112.6595 56.7706 63.6666 174.9716 31 T 4.5352 7.1025 123.2750 61.8625 69.1459 173.6475 32 T 4.1408 7.3682 124.0558 63.8857 76.4400 177.1911 33 Q 4.1618 9.0677 129.7251 56.7945 29.6417 176.4764 34 D 4.9006 8.7468 121.7244 55.0859 40.6876 176.9470 35 Q 4.2766 8.0894 119.2954 57.7863 29.8234 175.7515 36 C 5.0770 7.9108 121.6807 59.7895 31.8067 172.3211 37 K 4.8350 8.4995 124.9558 54.6655 34.6777 175.5831 38 L 4.8848 8.8980 122.9477 53.8632 46.1209 175.4417 39 T 4.9549 8.5707 120.9648 61.9289 72.3157 172.7847 40 L 5.1016 9.4797 129.8525 53.3689 45.6987 175.1103 41 D 4.9392 9.0242 126.9197 54.7656 41.7958 175.9575 42 I 4.7365 8.6834 121.6994 59.9160 42.5922 174.2531 43 N 5.0896 9.6539 125.5266 52.7764 38.6448 175.3851 44 V 4.1263 7.8500 129.9635 63.3354 31.8886 176.6667 45 E 4.4373 8.4830 118.5813 57.0971 31.6311 176.0313 46 L 4.4268 8.9192 116.0663 55.1686 42.3325 177.4346 47 F 4.8341 7.2742 117.8451 56.3747 40.9600 171.4266 48 P 4.2958 0.0000 0.0000 62.3497 32.1388 176.4944 49 V 4.0595 7.8942 119.1194 61.9877 34.2217 173.0653 50 A 4.6997 7.8471 129.6163 49.5340 21.4187 175.6725 51 A 3.8281 8.4698 121.6643 53.9923 18.6164 176.7465 52 Q 3.4276 8.8185 122.4647 56.4843 26.2012 172.5736 53 D 4.8369 8.0244 120.7008 53.0949 46.4027 174.5346 54 S 5.2692 8.6988 115.2678 57.0276 62.8027 172.8329 55 L 4.8453 8.6234 127.8038 54.1376 44.4788 175.3440 56 T 5.0966 8.2472 118.8736 62.1605 70.7705 173.6812 57 V 4.8682 8.6337 126.7885 61.4010 33.7857 174.7379 58 T 5.3258 8.0178 121.1444 62.2226 73.7579 175.2367 59 I 5.0727 8.3605 123.5206 58.8832 37.8341 178.9429 60 A 4.1035 9.3293 130.6415 53.2653 18.0741 178.3174 61 S 4.8872 7.9214 113.7643 54.7625 62.3445 172.4420 62 S 4.0576 7.5943 116.1154 60.2867 65.9873 179.1293 63 L 3.2528 7.7131 118.7140 56.8998 37.5236 176.5776 *76 T 4.1407 7.2952 108.9204 63.4854 70.3232 171.5876 77 R 3.9632 8.2209 126.7769 54.9390 30.6089 176.7695 78 S 4.1801 8.7874 115.5883 58.6405 63.1490 173.8544 79 W 4.4606 8.8756 133.1138 56.8942 31.0157 175.6837 80 R 3.9946 8.0592 125.3463 54.6208 31.3279 175.5890 81 P 4.1257 0.0000 0.0000 61.1590 32.1656 174.9347 82 P 4.4648 0.0000 0.0000 63.4474 30.0031 177.2439 83 Q 3.7325 9.7228 121.2806 57.3265 27.6770 175.5709 84 A 4.1371 7.6750 115.2779 53.0123 17.7562 178.9579 85 G 3.7943 8.2524 108.0000 48.7264 0.0000 174.4944 86 D 4.7395 7.7796 116.9088 54.0087 42.6201 174.6166 87 R 4.8273 7.8252 118.7957 53.6899 32.6473 175.8326 88 S 4.2873 8.3565 112.7175 60.2669 63.3582 174.8463 89 L 4.5407 7.7672 116.9943 54.7519 43.7609 175.6724 90 A 4.5716 8.0898 126.1053 52.4650 18.5032 177.8252 91 D 5.0106 8.7486 117.9524 55.2192 39.6787 178.1125 92 D 4.6444 8.4606 114.9283 55.7911 40.1577 175.3773 93 Y 4.9862 8.7130 119.3316 56.5756 40.7582 174.5689 94 D 5.0648 9.3826 118.5017 54.7664 43.2012 175.9590 95 Y 4.5761 7.6294 120.6941 56.2579 42.0765 173.6838 96 V 5.1164 8.5845 126.1523 60.9109 34.0435 174.1726 97 M 4.5326 8.0225 127.7853 54.1905 35.1697 174.4955 98 Y 5.1627 8.2560 120.1447 57.0424 41.3276 173.7019 99 G 3.6515 8.7943 116.3596 45.9719 0.0000 171.5300 100 T 5.0499 9.3463 118.6392 60.5774 73.5721 172.7525 101 A 4.4681 8.3699 124.3153 49.8125 20.2480 175.8894 102 Y 4.4266 8.3674 120.6782 58.1846 39.5830 175.6575 103 K 4.7612 7.1186 121.2362 53.9563 36.1613 174.4687 104 F 4.9316 8.9655 123.5821 55.6618 39.7897 174.5173 105 E 4.3494 8.9194 124.4433 55.6059 31.5507 174.7474 106 E 4.8458 8.4728 123.4535 53.2564 29.5475 177.1942 107 V 3.8037 7.7562 128.9026 62.8791 30.3896 175.1719 108 S 3.6143 8.3254 119.3756 58.0759 64.7946 173.2564 109 K 3.6141 8.2523 118.3503 58.1184 30.1854 176.5282 110 D 4.9362 8.5707 118.0087 54.4172 40.2065 176.4535 111 L 4.9763 7.6981 119.4145 53.3701 44.5210 176.2130 112 I 4.6536 8.3748 124.0814 59.3611 40.4240 174.3884 113 A 5.1111 8.4282 127.6963 49.2949 22.5025 175.2270 114 V 4.4315 7.7027 112.1178 59.6594 35.6497 174.4527 115 Y 4.8451 8.2727 121.6588 56.8945 40.2707 174.3312 116 Y 4.7328 9.0249 118.7913 56.6206 43.0195 174.4773 117 S 4.7764 8.9704 115.6747 57.1076 65.9548 173.5116 118 F 4.6476 8.8767 126.7113 56.0435 38.1709 175.5961 119 G 3.8278 8.7777 113.0180 46.3157 0.0000 170.6994 120 G 3.7984 7.2037 106.1624 45.0492 0.0000 173.5938 121 L 4.6613 7.8968 120.3391 53.0929 43.1116 176.7857 122 L 5.0794 9.9732 125.9430 54.9614 43.6750 175.7685 123 M 5.2694 9.0064 118.8350 54.6367 36.3934 173.3328 124 R 4.6025 9.5092 125.2930 54.3494 33.6042 173.6194 125 L 4.9154 8.0899 126.9398 53.3566 46.0295 174.5332 126 E 4.6614 7.9546 122.8675 53.1999 33.1387 173.5801 127 G 4.1898 7.7683 117.2674 45.7782 0.0000 174.4662 128 N 4.6735 8.0885 131.8871 53.5335 40.3362 173.5873 129 Y 4.6439 6.4801 114.9818 57.9973 38.9678 176.0541 130 R 4.6351 7.5171 119.7592 56.7014 30.4250 177.7970 131 N 4.3097 7.7207 119.0287 56.1266 38.5475 175.9173 132 L 4.7550 7.9040 113.1450 54.5517 42.9442 176.8024 133 N 4.6068 8.0934 116.6951 55.4706 39.1950 175.3848 134 N 4.5878 8.0241 117.8414 53.1251 38.9759 176.1627 135 L 4.4616 8.3732 126.4895 54.6819 42.5864 177.7568 136 K 4.7316 8.4634 120.9581 57.0310 34.2982 176.0975 137 Q 4.4308 7.9050 118.3134 54.4436 29.8570 175.5421 138 E 3.9961 8.8542 119.4141 59.6679 29.8100 176.1830 139 N 4.5342 7.6858 112.9651 52.3580 38.9023 174.9240 140 A 5.5733 8.3305 130.3369 52.7098 20.4488 174.2087 141 Y 4.5492 8.6417 119.1312 57.4940 39.7057 174.6136 142 L 5.0625 8.9707 125.1299 53.4888 44.9914 175.0076 143 L 5.0966 7.9815 122.1844 53.4487 46.5680 175.3859 144 I 5.6474 8.6148 120.5405 60.3762 42.0552 174.2357 145 R 4.9513 8.4164 121.1724 55.6032 33.2958 175.4000 146 R 4.3079 8.6727 119.3598 56.9087 30.5307 176.1993 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 4.50 0.00 3.99 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 8.02 4.93 0.00 2.78 2.75 0.00 0.00 6.93 6.65 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 4 T 9.18 4.82 4.28 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 1.26 0.00 0.00 5 L 8.17 4.88 0.00 1.75 1.74 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.71 4.78 0.00 3.14 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 7 D 7.05 4.75 0.00 2.55 2.28 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 8 D 7.52 4.30 0.00 2.57 2.40 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 9 I 7.92 5.32 1.81 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 1.27 1.35 1.02 0.00 0.00 10 F 9.48 5.43 0.00 2.94 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 11 Q 9.07 5.52 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 12 V 8.57 4.19 2.23 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 1.06 0.00 0.00 0.99 0.00 0.00 13 S 9.13 4.32 0.00 3.93 4.01 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 14 E 7.57 4.85 0.00 2.03 1.78 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 2.16 2.17 0.00 15 V 8.60 4.57 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 0.86 0.00 0.00 1.03 0.00 0.00 16 D 8.95 4.83 0.00 2.83 2.49 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 17 P 0.00 4.60 0.00 2.13 2.10 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 18 G 8.01 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 7.76 3.93 0.00 1.81 2.05 0.00 3.30 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 20 Y 7.50 5.13 0.00 2.99 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 8.34 4.24 0.00 2.74 2.96 0.00 0.00 7.06 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 8.03 4.54 0.00 1.74 1.76 0.00 1.64 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 23 V 7.96 4.87 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 0.78 0.00 0.00 0.99 0.00 0.00 24 C 9.08 5.21 0.00 2.95 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 25 R 8.64 4.60 0.00 2.17 1.84 0.00 3.08 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 26 I 8.76 5.15 2.04 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 1.27 0.96 0.92 0.00 0.00 27 E 8.92 5.80 0.00 1.93 1.81 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 2.21 2.08 0.00 28 A 8.59 5.31 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 29 A 8.91 5.16 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 30 S 8.14 4.46 0.00 3.78 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 31 T 7.10 4.54 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 32 T 7.37 4.14 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 1.15 0.00 0.00 33 Q 9.07 4.16 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.20 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 34 D 8.75 4.90 0.00 2.68 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 8.09 4.28 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 36 C 7.91 5.08 0.00 3.13 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 37 K 8.50 4.84 0.00 1.66 1.72 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.69 7.81 38 L 8.90 4.88 0.00 1.44 1.25 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.57 4.95 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 1.28 0.00 0.00 40 L 9.48 5.10 0.00 1.52 1.34 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.02 4.94 0.00 2.69 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 8.68 4.74 2.01 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 1.02 0.76 1.37 0.00 0.00 43 N 9.65 5.09 0.00 2.82 2.68 0.00 0.00 6.78 8.56 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 44 V 7.85 4.13 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 0.78 0.00 0.00 1.09 0.00 0.00 45 E 8.48 4.44 0.00 1.90 2.03 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 2.15 2.27 0.00 46 L 8.92 4.43 0.00 1.45 1.61 0.83 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.27 4.83 0.00 2.68 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 48 P 0.00 4.30 0.00 1.93 1.88 0.00 3.58 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 49 V 7.89 4.06 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 0.73 0.00 0.00 0.71 0.00 0.00 50 A 7.85 4.70 1.16 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 0.00 0.00 51 A 8.47 3.83 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 52 Q 8.82 3.43 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 53 D 8.02 4.84 0.00 2.58 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 54 S 8.70 5.27 0.00 3.89 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 55 L 8.62 4.85 0.00 1.72 1.76 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.25 5.10 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 1.35 0.00 0.00 57 V 8.63 4.87 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.68 0.00 0.00 58 T 8.02 5.33 4.10 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 1.34 0.00 0.00 59 I 8.36 5.07 1.97 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.78 0.95 0.00 0.00 60 A 9.33 4.10 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 61 S 7.92 4.89 0.00 4.04 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 62 S 7.59 4.06 0.00 3.87 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 63 L 7.71 3.25 0.00 1.67 1.87 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.30 4.14 4.40 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 1.31 0.00 0.00 77 R 8.22 3.96 0.00 2.03 2.00 0.00 3.28 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 78 S 8.79 4.18 0.00 4.07 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 79 W 8.88 4.46 0.00 3.34 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 80 R 8.06 3.99 0.00 1.60 1.60 0.00 3.21 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 81 P 0.00 4.13 0.00 1.84 1.39 0.00 3.40 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 82 P 0.00 4.46 0.00 2.15 1.46 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 83 Q 9.72 3.73 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.15 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 84 A 7.67 4.14 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 85 G 8.25 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 7.78 4.74 0.00 2.57 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.83 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 88 S 8.36 4.29 0.00 3.95 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 89 L 7.77 4.54 0.00 1.70 1.86 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 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 91 D 8.75 5.01 0.00 2.88 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 92 D 8.46 4.64 0.00 2.56 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.99 0.00 2.79 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 94 D 9.38 5.06 0.00 2.68 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 7.63 4.58 0.00 1.88 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 0.00 0.00 0.00 0.00 96 V 8.58 5.12 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 1.12 0.00 0.00 0.92 0.00 0.00 97 M 8.02 4.53 0.00 1.53 0.99 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.59 0.00 98 Y 8.26 5.16 0.00 2.20 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 99 G 8.79 3.65 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 0.00 100 T 9.35 5.05 4.09 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 0.00 0.00 0.00 1.13 0.00 0.00 101 A 8.37 4.47 0.45 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 0.00 102 Y 8.37 4.43 0.00 3.05 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 0.00 103 K 7.12 4.76 0.00 1.78 1.47 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.47 7.81 104 F 8.97 4.93 0.00 2.84 3.02 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 0.00 105 E 8.92 4.35 0.00 2.27 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 2.35 2.35 0.00 106 E 8.47 4.85 0.00 1.88 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 0.00 2.22 2.30 0.00 107 V 7.76 3.80 2.07 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 0.78 0.00 0.00 0.92 0.00 0.00 108 S 8.33 3.61 0.00 4.19 4.04 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 0.00 109 K 8.25 3.61 0.00 1.91 1.70 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 8.57 4.94 0.00 2.78 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 0.00 111 L 7.70 4.98 0.00 1.99 1.58 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.37 4.65 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.92 0.00 0.00 113 A 8.43 5.11 1.03 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 0.00 0.00 114 V 7.70 4.43 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 -0.23 0.00 0.00 0.73 0.00 0.00 115 Y 8.27 4.85 0.00 1.87 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 0.00 0.00 0.00 0.00 116 Y 9.02 4.73 0.00 2.72 2.42 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 0.00 117 S 8.97 4.78 0.00 3.76 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 0.00 118 F 8.88 4.65 0.00 3.09 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 0.00 119 G 8.78 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 0.00 120 G 7.20 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 0.00 121 L 7.90 4.66 0.00 1.86 1.75 1.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.97 5.08 0.00 1.76 1.79 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 M 9.01 5.27 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 124 R 9.51 4.60 0.00 1.57 1.50 0.00 2.93 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 125 L 8.09 4.92 0.00 1.47 1.12 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.95 4.66 0.00 1.94 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 0.00 2.20 2.19 0.00 127 G 7.77 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 0.00 0.00 0.00 0.00 128 N 8.09 4.67 0.00 2.76 2.81 0.00 0.00 6.79 7.54 0.00 0.00 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 6.48 4.64 0.00 3.26 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 0.00 130 R 7.52 4.64 0.00 1.94 2.11 0.00 2.97 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 131 N 7.72 4.31 0.00 2.74 2.97 0.00 0.00 6.64 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 0.00 132 L 7.90 4.75 0.00 1.65 1.69 0.96 1.02 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 0.00 133 N 8.09 4.61 0.00 2.89 3.14 0.00 0.00 6.94 7.43 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 0.00 134 N 8.02 4.59 0.00 2.78 2.96 0.00 0.00 6.92 7.85 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 0.00 135 L 8.37 4.46 0.00 1.75 1.72 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.46 4.73 0.00 1.53 1.43 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.34 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.20 7.81 137 Q 7.91 4.43 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 138 E 8.85 4.00 0.00 2.00 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 2.50 2.27 0.00 139 N 7.69 4.53 0.00 2.90 2.94 0.00 0.00 6.73 7.35 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 0.00 140 A 8.33 5.57 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 0.00 0.00 0.00 0.00 0.00 141 Y 8.64 4.55 0.00 2.84 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 0.00 142 L 8.97 5.06 0.00 1.43 0.97 0.79 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.98 5.10 0.00 0.81 0.21 0.83 0.02 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 0.00 144 I 8.61 5.65 1.51 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.87 0.92 0.00 0.00 145 R 8.42 4.95 0.00 1.80 1.97 0.00 2.79 0.00 0.00 2.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 146 R 8.67 4.31 0.00 2.04 2.09 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.