NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 D 4.5174 8.2233 120.1948 54.3163 43.4224 177.5104 31 E 3.7050 8.0418 118.3259 58.7690 29.2794 177.8131 32 A 3.8986 8.0946 120.6148 54.8344 18.9189 178.8618 33 K 2.0000 7.4945 117.5546 59.2676 31.9778 178.5946 34 I 3.5307 7.5904 119.9586 64.6066 37.0370 178.6598 35 S 4.0965 7.9634 115.5657 61.4404 62.5642 176.5751 36 A 4.1886 8.2099 123.8281 55.3262 18.0696 179.6375 37 Q 3.9718 8.1556 116.7242 59.0778 28.7683 178.8656 38 S 4.1075 8.3374 114.3717 61.5861 62.3722 176.1398 39 F 4.4116 8.4629 123.0929 61.4327 39.1982 176.2781 40 Y 3.9627 8.4807 119.4299 60.9373 38.6107 178.2325 41 Q 3.8904 8.5025 119.1629 58.9823 28.7186 179.1577 42 R 3.6601 7.9631 119.0617 58.8952 29.9619 178.7381 43 L 3.7970 7.7177 120.4974 58.1676 41.9984 179.0417 44 L 3.7703 7.5113 118.7673 57.6633 41.4548 179.3463 45 L 4.0310 7.7926 120.3061 57.8209 41.9520 178.7666 46 L 3.4232 8.0933 120.8426 57.8346 42.0069 178.3351 47 N 4.2114 8.2163 117.2513 56.6902 38.8335 176.3151 48 E 3.8408 8.1527 120.5804 59.2780 29.6531 178.3032 49 E 3.8169 8.3670 119.4656 59.1284 29.5413 178.5931 50 A 4.7003 7.8225 122.0598 54.8180 18.2671 179.7251 51 I 3.9198 7.3652 118.2040 64.0896 37.3056 178.4100 52 L 4.1504 8.1484 119.0797 57.4502 41.5771 179.0363 53 S 4.5847 8.3593 112.2401 57.8445 63.7564 175.4324 54 G 3.8984 8.0620 109.4591 45.8079 0.0000 173.1479 55 Q 4.4657 7.8559 118.7884 54.4921 31.1867 174.6172 56 D 5.1041 8.1187 121.2306 53.8115 43.1252 175.5167 57 F 5.3656 9.1533 120.3091 56.4656 43.9830 173.3722 58 G 4.1215 8.9534 105.1649 46.0353 0.0000 172.6098 59 V 4.6600 8.2188 119.8543 60.7429 34.5969 173.9589 60 R 4.6058 8.4963 128.5808 54.6516 31.9812 174.5113 61 I 4.3562 8.3732 127.9309 59.7718 38.8838 175.1915 62 D 4.7284 8.7597 128.2834 52.5022 41.1771 177.6348 63 V 3.7371 8.4214 118.5306 64.1891 32.0891 178.9025 64 D 4.4587 8.1578 119.0278 56.7142 40.8767 177.0076 65 T 4.2872 7.8693 106.0561 60.6061 69.8458 174.2652 66 R 3.7434 7.3991 119.8674 57.9158 28.3411 175.3194 67 R 5.1647 7.7927 116.3893 54.4570 33.6675 174.3433 68 L 4.9354 8.7965 124.9399 53.1312 44.7697 175.5173 69 T 4.8408 8.4283 120.1199 61.6051 72.3808 172.8881 70 F 5.1707 9.2876 124.9156 55.9553 41.1795 174.8111 71 L 5.6418 9.3715 123.9238 52.9572 45.8015 175.2747 72 Q 4.7264 9.5255 122.2845 54.1213 32.1278 174.0481 73 L 3.7732 7.9361 129.1071 54.4146 42.7190 175.8761 74 T 4.5260 8.1362 116.1523 59.6417 71.3347 175.2200 75 A 3.8812 8.6555 127.2639 55.2763 18.6990 178.7369 76 D 4.5170 7.9473 113.7639 55.1402 39.9775 177.0471 77 K 4.4849 7.6600 115.3189 54.6730 34.6458 178.1070 78 G 3.5768 7.9281 108.2523 45.8005 0.0000 173.2976 79 W 4.8607 8.7507 123.0290 57.0823 29.7402 175.9605 80 Q 4.8556 9.3542 122.8515 53.5589 33.1386 174.8127 81 K 4.5755 8.7933 120.4788 56.6172 32.9166 176.8698 82 W 4.7616 9.1338 135.0000 57.0499 30.8647 175.8213 83 Q 4.1134 8.8395 127.9590 55.4557 28.4376 175.3808 84 N 4.5567 7.9139 119.1845 52.0956 39.7376 173.5119 85 D 4.7859 8.2277 115.3471 53.0486 39.5875 177.0294 86 K 4.2134 8.2793 119.8476 57.3547 33.9003 176.5221 *88 T 4.0692 7.5794 107.8369 61.5339 69.6625 173.1146 89 N 5.2174 8.4858 118.4318 52.9184 38.9284 173.5525 90 Q 5.2776 8.0094 120.4725 55.3259 32.2611 173.5627 91 T 4.8895 9.3078 116.2317 60.2248 72.3589 172.8469 92 T 5.0639 8.3113 119.1751 61.5393 71.7355 173.9324 93 L 4.3006 8.5313 126.4801 54.3267 42.6768 177.5156 94 K 4.1487 8.5110 120.9112 56.0341 33.5302 175.9982 95 E 3.9997 8.5128 120.8981 58.1823 29.8517 177.1285 96 G 4.0717 9.0322 112.9245 44.8820 0.0000 172.7019 97 L 5.1254 7.3320 118.4776 53.0497 44.4464 175.6391 98 Q 4.6486 8.6686 120.1341 53.8734 32.8841 174.1124 99 L 5.1291 7.8602 118.9272 54.7578 44.0116 174.5252 100 D 5.1592 9.2830 118.6535 53.6617 45.5803 173.4622 101 F 6.0609 8.9028 115.0873 55.7277 41.6027 172.8222 102 E 4.7790 9.4711 117.4175 54.5100 33.2824 174.1940 103 L 5.0026 8.4207 121.0995 52.9239 43.9927 176.3837 104 G 3.6993 9.0034 114.4662 47.2319 0.0000 174.0764 105 G 3.7999 8.8169 113.4561 45.2095 0.0000 173.2755 106 G 3.7207 7.8129 109.8138 44.1150 0.0000 173.5727 107 A 4.1052 7.9491 121.8344 50.7527 19.1739 177.5257 108 W 4.4408 8.1545 119.4634 57.2462 29.6769 176.8983 109 Q 4.0536 8.5767 120.9389 57.7063 28.7097 177.0372 110 K 4.1038 8.4455 119.6950 55.9584 32.6386 176.4137 111 D 4.7105 8.3867 125.5910 52.8690 40.6520 175.5680 112 D 4.6201 8.3676 116.9773 54.7918 41.1907 177.5391 113 R 4.0365 7.8554 119.2093 55.9240 30.5476 177.1234 114 L 4.2161 8.2985 121.3177 57.5901 42.0211 177.4533 115 F 4.7742 7.1386 110.0472 55.6477 40.2817 173.0671 116 N 4.6268 8.7074 121.7569 52.1271 38.7050 174.0592 117 P 4.6930 0.0000 0.0000 65.3592 31.4710 178.3557 118 G 4.0136 8.3016 104.0658 46.7968 0.0000 175.1899 119 S 4.5943 8.1093 114.2122 59.3455 63.5991 175.8717 120 L 4.0183 7.6915 122.5816 56.6683 41.6277 177.6674 121 F 4.2272 7.1970 117.3308 57.6081 39.3283 174.2367 122 D 4.5516 8.6170 125.9353 54.0098 41.3517 175.7911 *136 E 4.2024 8.6585 122.3080 55.2644 30.8691 174.0276 137 P 4.3589 0.0000 0.0000 62.8029 31.8935 176.3171 138 A 3.7706 8.5848 126.6461 51.2820 19.0437 175.5706 139 P 4.0477 0.0000 0.0000 62.4735 32.0991 176.6606 140 Q 3.8240 7.9312 118.6604 57.5500 29.7800 175.8428 141 L 4.3170 7.1971 119.8219 52.8141 43.7985 175.6862 142 F 4.9069 9.1537 123.9607 56.2772 41.0981 175.4404 143 V 4.7333 9.2339 124.2290 61.2366 32.6176 174.5300 144 L 5.1203 8.8439 127.5623 53.1394 43.6189 178.2017 145 S 4.3010 9.3861 116.0300 60.8439 63.1235 176.6070 146 S 4.2069 7.9714 114.9840 59.7853 62.9793 175.0726 147 G 4.0146 8.1329 109.2320 44.8027 0.0000 173.4545 148 E 4.3756 7.9965 119.4774 56.1340 30.8911 176.0196 149 V 5.0394 8.1672 121.7486 61.0230 34.7885 175.0793 150 T 4.0614 8.6751 124.0021 63.8021 69.0659 172.2545 151 P 4.7915 0.0000 0.0000 63.1371 32.6245 175.4522 152 F 5.3129 8.5024 117.6767 56.6751 42.0640 172.8669 153 T 4.8914 9.0173 115.1218 61.7486 72.4129 172.9040 154 L 5.4622 9.5944 128.7887 53.4623 44.8646 174.7561 155 S 5.4631 9.7322 120.9011 56.6478 65.2570 172.4520 156 I 5.1482 8.7586 127.8516 59.6320 39.6395 174.8412 157 F 5.0074 8.1275 119.7063 55.1000 41.5001 171.7522 158 P 4.8254 0.0000 0.0000 62.1244 32.4508 176.1053 159 K 3.8739 8.6273 125.4355 58.2171 32.4968 177.1389 160 G 4.0893 9.2335 113.4449 45.2064 0.0000 172.9494 161 Q 4.6870 7.4599 117.2770 53.8080 31.8956 175.0474 162 E 4.0106 8.1018 119.0302 54.7790 30.2033 175.5753 163 P 2.9700 0.0000 0.0000 64.3201 31.6015 176.3746 164 D 4.6536 7.3475 119.5485 55.6615 41.2242 175.6352 165 E 3.8108 8.9132 122.4362 57.5144 27.3591 174.7772 166 Q 4.2663 7.2708 118.1990 54.5182 31.2614 175.0900 167 W 4.4499 8.7694 118.4523 58.0718 30.0800 175.8351 168 R 5.4107 9.5785 123.1246 54.5209 34.6378 174.2267 169 V 5.1267 9.0560 121.3619 61.6583 34.7409 174.5275 170 T 4.5598 9.0442 122.8835 61.5189 73.3070 172.5836 171 A 5.0293 7.4743 126.7134 50.3154 21.2809 176.6754 172 Q 4.5262 9.2581 122.3071 55.1153 29.9571 177.1770 173 E 3.9803 8.7694 119.3883 59.7200 29.4691 178.3405 174 N 4.5044 8.0228 113.2157 53.3582 37.7555 175.5284 175 G 4.0888 8.0964 107.7356 45.6135 0.0000 174.3544 176 T 4.1612 8.1840 117.6040 63.5340 69.5900 173.5827 177 L 5.1064 8.4908 125.7647 53.8368 43.3272 176.2925 178 R 4.8305 9.1041 121.4292 54.5316 35.0143 173.6600 179 L 5.0196 8.3422 124.7162 53.6487 43.4214 175.2028 180 L 4.9634 9.1327 126.7162 52.8745 44.2909 176.3757 181 A 2.7210 8.7186 125.2848 49.8451 20.0087 175.1585 182 P 4.3981 0.0000 0.0000 64.2079 31.7248 177.2805 183 G 3.9526 8.9004 111.7251 45.4155 0.0000 173.6800 184 E 3.9984 7.4532 120.6111 55.7216 30.1685 176.2995 185 S 4.1942 8.3023 120.3307 59.0491 63.3865 173.2535 186 D 4.8339 8.6447 124.2897 54.6834 41.6348 173.7642 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 30 D 8.22 4.52 0.00 2.81 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 31 E 8.04 3.70 0.00 2.11 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 2.37 2.41 0.00 32 A 8.09 3.90 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 33 K 7.49 2.00 0.00 0.83 1.52 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.90 0.21 7.81 34 I 7.59 3.53 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 0.86 0.00 0.00 35 S 7.96 4.10 0.00 4.00 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 36 A 8.21 4.19 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 37 Q 8.16 3.97 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 38 S 8.34 4.11 0.00 3.90 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 39 F 8.46 4.41 0.00 3.33 3.38 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 40 Y 8.48 3.96 0.00 3.21 3.20 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 0.00 41 Q 8.50 3.89 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 42 R 7.96 3.66 0.00 1.75 1.12 0.00 3.28 0.00 0.00 2.80 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.54 0.00 43 L 7.72 3.80 0.00 1.04 1.42 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.51 3.77 0.00 1.46 1.49 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.79 4.03 0.00 1.79 1.70 0.97 0.41 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 46 L 8.09 3.42 0.00 1.87 1.67 0.53 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.22 4.21 0.00 2.74 2.90 0.00 0.00 6.88 8.50 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 48 E 8.15 3.84 0.00 2.13 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 2.28 2.29 0.00 49 E 8.37 3.82 0.00 1.81 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 1.47 2.14 0.00 50 A 7.82 4.70 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 51 I 7.37 3.92 1.99 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 1.55 1.12 0.91 0.00 0.00 52 L 8.15 4.15 0.00 1.73 1.75 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.36 4.58 0.00 4.19 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 0.00 54 G 8.06 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 55 Q 7.86 4.47 0.00 1.79 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.45 0.00 56 D 8.12 5.10 0.00 2.48 2.62 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 57 F 9.15 5.37 0.00 2.85 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 58 G 8.95 4.12 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 0.00 59 V 8.22 4.66 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 0.59 0.00 0.00 1.02 0.00 0.00 60 R 8.50 4.61 0.00 1.62 1.53 0.00 3.00 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 61 I 8.37 4.36 0.84 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 0.66 0.10 0.66 0.00 0.00 62 D 8.76 4.73 0.00 2.49 2.57 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 0.00 0.00 0.00 0.00 63 V 8.42 3.74 2.18 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 1.21 0.00 0.00 1.02 0.00 0.00 64 D 8.16 4.46 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.87 4.29 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 66 R 7.40 3.74 0.00 2.03 1.94 0.00 3.18 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 67 R 7.79 5.16 0.00 1.84 1.67 0.00 3.01 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.71 0.00 68 L 8.80 4.94 0.00 1.54 1.14 0.76 0.27 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 69 T 8.43 4.84 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 1.22 0.00 0.00 70 F 9.29 5.17 0.00 3.17 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 71 L 9.37 5.64 0.00 1.63 1.96 0.72 0.65 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 72 Q 9.53 4.73 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 1.88 1.21 0.00 73 L 7.94 3.77 0.00 0.27 0.73 -0.15 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.14 4.53 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 1.23 0.00 0.00 75 A 8.66 3.88 1.23 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 0.00 0.00 76 D 7.95 4.52 0.00 2.78 2.78 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 0.00 0.00 0.00 77 K 7.66 4.48 0.00 1.98 1.83 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 0.96 7.81 78 G 7.93 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 79 W 8.75 4.86 0.00 3.23 3.14 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 80 Q 9.35 4.86 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 81 K 8.79 4.58 0.00 1.74 1.89 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.76 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.54 1.53 7.81 82 W 9.13 4.76 0.00 3.57 3.40 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 83 Q 8.84 4.11 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.51 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 84 N 7.91 4.56 0.00 1.77 1.42 0.00 0.00 6.16 8.06 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 85 D 8.23 4.79 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 86 K 8.28 4.21 0.00 1.62 1.80 0.00 1.91 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.24 7.81 *88 T 7.58 4.07 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 1.18 0.00 0.00 89 N 8.49 5.22 0.00 3.28 3.30 0.00 0.00 5.41 7.44 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 90 Q 8.01 5.28 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 91 T 9.31 4.89 4.33 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 1.37 0.00 0.00 92 T 8.31 5.06 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 1.27 0.00 0.00 93 L 8.53 4.30 0.00 1.48 1.54 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.51 4.15 0.00 1.91 1.91 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.39 7.81 95 E 8.51 4.00 0.00 1.90 1.89 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 2.27 2.37 0.00 96 G 9.03 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 0.00 0.00 0.00 97 L 7.33 5.13 0.00 1.58 1.43 0.87 0.72 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 98 Q 8.67 4.65 0.00 0.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 99 L 7.86 5.13 0.00 1.69 1.47 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 100 D 9.28 5.16 0.00 2.90 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 0.00 101 F 8.90 6.06 0.00 3.41 3.14 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 0.00 102 E 9.47 4.78 0.00 1.75 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 1.53 1.89 0.00 103 L 8.42 5.00 0.00 1.64 1.69 1.03 1.10 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 0.00 104 G 9.00 3.70 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 0.00 0.00 0.00 105 G 8.82 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 0.00 106 G 7.81 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 0.00 0.00 0.00 0.00 107 A 7.95 4.11 1.20 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 0.00 0.00 0.00 108 W 8.15 4.44 0.00 3.28 3.46 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 0.00 109 Q 8.58 4.05 0.00 1.43 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 110 K 8.45 4.10 0.00 1.91 1.89 0.00 2.03 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.43 7.81 111 D 8.39 4.71 0.00 2.80 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 0.00 112 D 8.37 4.62 0.00 2.67 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 0.00 113 R 7.86 4.04 0.00 1.88 1.86 0.00 3.01 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 114 L 8.30 4.22 0.00 1.72 1.87 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.14 4.77 0.00 3.04 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 0.00 116 N 8.71 4.63 0.00 2.78 2.82 0.00 0.00 7.06 7.71 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 0.00 117 P 0.00 4.69 0.00 2.16 2.26 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 118 G 8.30 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 0.00 0.00 0.00 119 S 8.11 4.59 0.00 4.10 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.02 0.00 1.11 1.37 0.35 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 121 F 7.20 4.23 0.00 3.05 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 0.00 122 D 8.62 4.55 0.00 2.60 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 *136 E 8.66 4.20 0.00 2.18 1.97 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 2.29 2.40 0.00 137 P 0.00 4.36 0.00 1.88 1.99 0.00 3.68 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 2.02 2.12 0.00 138 A 8.58 3.77 1.20 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 0.00 0.00 0.00 139 P 0.00 4.05 0.00 1.65 1.38 0.00 2.31 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.44 0.00 140 Q 7.93 3.82 0.00 1.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 141 L 7.20 4.32 0.00 1.22 1.26 -0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 142 F 9.15 4.91 0.00 3.00 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 0.00 143 V 9.23 4.73 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 1.16 0.00 0.00 0.99 0.00 0.00 144 L 8.84 5.12 0.00 1.72 1.61 0.95 0.72 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 0.00 145 S 9.39 4.30 0.00 4.06 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 0.00 146 S 7.97 4.21 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.13 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 0.00 0.00 0.00 148 E 8.00 4.38 0.00 2.03 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 2.36 2.29 0.00 149 V 8.17 5.04 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 1.04 0.00 0.00 1.01 0.00 0.00 150 T 8.68 4.06 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 1.34 0.00 0.00 151 P 0.00 4.79 0.00 2.13 2.03 0.00 3.74 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 152 F 8.50 5.31 0.00 3.39 3.20 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 0.00 153 T 9.02 4.89 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 1.41 0.00 0.00 154 L 9.59 5.46 0.00 1.96 1.81 0.91 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 155 S 9.73 5.46 0.00 4.11 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 0.00 156 I 8.76 5.15 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.90 0.87 0.00 0.00 157 F 8.13 5.01 0.00 3.07 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 0.00 158 P 0.00 4.83 0.00 2.17 2.05 0.00 3.93 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 159 K 8.63 3.87 0.00 1.67 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.41 7.81 160 G 9.23 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 0.00 0.00 0.00 0.00 161 Q 7.46 4.69 0.00 2.25 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 162 E 8.10 4.01 0.00 1.70 1.68 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 2.17 2.12 0.00 163 P 0.00 2.97 0.00 0.49 1.24 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.92 0.00 164 D 7.35 4.65 0.00 2.60 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 0.00 165 E 8.91 3.81 0.00 2.13 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 2.33 2.32 0.00 166 Q 7.27 4.27 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 167 W 8.77 4.45 0.00 3.58 3.21 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 0.00 168 R 9.58 5.41 0.00 1.80 1.90 0.00 3.19 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 169 V 9.06 5.13 2.74 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 1.32 0.00 0.00 1.39 0.00 0.00 170 T 9.04 4.56 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 0.00 171 A 7.47 5.03 1.39 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 0.00 0.00 0.00 172 Q 9.26 4.53 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 173 E 8.77 3.98 0.00 1.96 2.04 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 2.32 2.26 0.00 174 N 8.02 4.50 0.00 2.82 2.94 0.00 0.00 6.28 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 8.10 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 0.00 0.00 0.00 0.00 176 T 8.18 4.16 4.32 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 1.25 0.00 0.00 177 L 8.49 5.11 0.00 1.54 1.63 0.87 0.94 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 0.00 178 R 9.10 4.83 0.00 1.74 1.78 0.00 3.11 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 179 L 8.34 5.02 0.00 0.87 1.09 1.15 0.85 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 0.00 180 L 9.13 4.96 0.00 1.58 1.48 0.90 0.71 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 0.00 181 A 8.72 2.72 0.61 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 0.00 182 P 0.00 4.40 0.00 1.82 1.83 0.00 2.63 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 183 G 8.90 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 0.00 184 E 7.45 4.00 0.00 1.83 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 2.27 2.18 0.00 185 S 8.30 4.19 0.00 3.85 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 0.00 186 D 8.64 4.83 0.00 2.84 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 * Residues marked with a * may have inaccurate shift predictions.