NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2153 8.4449 121.4641 55.8474 30.8191 175.0208 5 R 3.9392 7.7484 124.0559 55.4221 30.9338 174.5837 6 H 4.6891 8.4008 119.0451 54.5251 33.7627 172.6742 7 F 4.9980 8.4170 120.6413 55.7769 42.6484 174.4164 8 V 4.7091 8.3372 123.0510 61.6611 35.3733 173.4698 9 H 5.4496 8.8469 124.1866 54.8710 33.0598 172.2024 10 Q 4.9550 9.4648 123.4733 54.1214 33.0930 174.1972 11 F 5.0698 8.6897 122.3531 56.5354 42.2573 173.7657 12 K 4.1270 7.9483 125.6209 54.1715 35.0509 175.3714 13 G 4.0454 8.3058 111.9045 44.5305 0.0000 171.8268 14 E 4.8235 9.8383 127.6426 54.2670 32.5714 174.6458 15 C 5.1980 8.8494 121.6285 55.5374 42.3546 172.6161 16 Y 4.7700 9.3923 123.3097 56.2146 39.8780 174.8408 17 F 5.3076 9.2579 122.3945 55.9919 41.9750 174.4967 18 T 4.4899 8.4923 120.2331 62.5807 71.1399 174.0039 19 N 4.0685 9.7044 121.5289 55.0788 37.7794 174.2467 20 G 4.3258 7.6913 114.2073 46.9707 0.0000 172.5407 21 T 4.3170 8.1506 114.6246 61.1566 69.0033 175.2089 22 Q 4.3017 7.8800 122.9056 55.4466 28.7906 176.0338 23 R 5.1667 7.2443 125.0178 56.1062 34.4609 172.1536 24 I 4.8170 8.1154 126.6136 59.1608 40.1584 175.1235 25 R 4.6595 8.8279 126.4299 54.2981 33.9092 173.6734 26 L 5.3495 9.8445 127.6334 53.3249 45.2419 175.1531 27 V 5.8228 9.8489 126.1097 60.3375 34.8285 174.1139 28 T 4.8941 8.7060 116.8799 59.9754 72.1698 172.9214 29 R 5.1072 8.5423 121.9826 54.6793 34.7374 173.6365 30 Y 4.8093 8.5162 119.7761 56.2225 40.7962 174.8151 31 I 4.9302 9.0198 125.0347 59.5602 41.3953 173.7752 32 Y 4.8251 9.4389 127.9460 58.0276 40.5945 176.5638 33 N 4.1447 9.6204 127.7993 54.3527 37.5667 175.5043 34 R 4.6123 9.1941 118.4426 56.2982 32.2613 174.1595 35 E 4.5038 8.7440 120.1655 54.2858 31.1250 174.5426 36 E 4.7933 8.7843 127.9893 55.3135 29.2721 174.3798 37 Y 4.9325 7.9382 126.0892 57.4836 40.0246 175.3620 38 L 5.2242 6.5801 120.3062 53.3402 45.6936 175.1253 39 R 5.1381 8.7830 121.3052 55.4440 34.3180 173.0813 40 F 4.6683 9.3198 128.1707 56.2221 42.3342 173.1509 41 D 5.1294 7.4116 124.6804 52.4601 43.7782 175.7846 42 S 4.0500 8.6409 122.3951 62.2794 62.6685 175.6751 43 D 4.3544 8.5898 118.3346 57.4263 40.0020 178.0166 44 V 3.3874 7.0351 117.3211 62.4848 32.1200 174.9008 45 G 3.4032 7.2700 115.5418 44.9373 0.0000 172.7478 46 E 4.8744 7.2232 116.2381 53.5835 32.7261 174.5632 47 Y 4.5419 9.4248 117.0582 58.3967 38.6081 176.0162 48 R 4.8766 9.1736 120.0215 54.5338 35.2582 173.9152 49 A 4.7472 8.6380 123.2108 51.6612 19.2199 177.2682 50 V 4.1394 10.6320 122.2496 64.0490 33.2449 175.4479 51 T 4.8430 7.4967 110.9239 60.6785 70.8168 173.4391 52 E 3.9686 8.8982 117.9979 59.9083 29.9426 178.8715 53 L 3.1976 7.9790 117.7690 57.4922 41.9512 178.6813 54 G 4.0373 8.2816 105.6817 46.7778 0.0000 175.8579 55 R 3.5958 8.2902 120.1230 59.4586 30.1594 177.0076 56 H 4.6258 8.0753 114.7719 57.1860 29.1077 177.5776 57 S 4.3237 7.8902 116.8407 62.1665 62.8934 175.4445 58 A 4.0489 8.4549 122.8412 54.5650 17.8312 178.9285 59 E 3.8523 8.1197 115.3043 59.2058 30.1686 179.3855 60 Y 4.0858 7.9615 118.6777 61.0622 39.0245 177.2374 61 Y 3.5145 8.2310 117.5462 60.6977 37.5056 178.5659 62 N 4.4605 8.0268 116.4275 56.2993 39.1018 176.7906 63 K 3.8243 7.4339 119.7744 59.1247 32.1990 177.8096 64 Q 3.6866 7.3442 117.1250 57.5300 29.3888 177.2285 *67 Y 4.8632 7.5389 115.3304 58.6018 40.1735 178.3442 68 L 3.9452 8.0103 120.8561 58.0451 42.6700 177.6079 69 E 3.8709 8.4357 117.5190 59.6140 29.6219 178.3227 70 R 4.1096 8.0153 116.4635 59.9230 30.5377 178.7897 71 T 3.9033 8.1385 115.0347 66.9707 68.3180 176.8214 72 R 4.0946 8.2733 117.9377 58.6608 30.4486 178.1683 73 A 4.3650 7.9804 119.9830 53.7388 19.0099 179.0792 74 E 4.1545 8.0769 118.5686 58.3857 29.5493 178.6430 75 L 4.0254 8.0545 120.3394 57.1492 42.6962 176.8583 76 D 4.6942 8.0801 115.4164 56.4562 42.6666 177.9159 77 T 3.9686 7.9919 109.2914 64.7844 68.3644 174.1263 78 A 4.5997 8.2536 121.4139 54.4547 20.4770 177.8376 79 C 4.5507 8.0804 113.7629 59.3867 36.0720 175.8913 80 R 4.0238 8.3362 119.6912 61.0132 29.7980 177.4568 81 H 4.0080 9.2964 116.4393 59.5662 29.1083 176.7513 82 N 4.3219 8.5100 117.5286 57.5924 39.0429 175.9151 83 Y 3.7521 8.5215 119.9803 61.5766 38.5410 178.2395 84 E 4.1437 8.7361 121.0034 59.5133 30.0193 178.8532 84A E 4.3476 8.9816 118.1770 57.4642 30.4930 177.5852 85 T 4.3879 8.8395 109.2790 63.0094 70.4575 176.3174 86 E 3.8604 7.8332 120.7910 58.8172 29.2705 179.0896 87 V 3.4140 7.1413 117.6840 65.3583 31.5303 175.2976 88 P 4.5457 0.0000 0.0000 63.8937 33.2327 176.1797 89 T 4.2335 7.5959 105.4936 62.0348 68.3846 176.1680 90 S 4.2529 8.9782 116.7052 61.6967 63.9080 176.6359 91 L 4.1775 7.9896 119.2385 56.5602 41.5470 178.1934 92 R 4.2370 8.5290 119.3609 57.2566 30.7902 176.6517 93 R 3.8559 7.2083 116.1294 57.1442 30.2126 176.4893 94 L 4.8247 8.1297 123.8864 53.7931 43.4582 173.4293 95 E 4.5332 9.4138 122.4949 54.6588 30.5156 175.8645 96 Q 4.9718 9.0737 123.9511 55.3607 29.7964 175.0550 97 P 5.5148 0.0000 0.0000 61.1513 34.4882 173.8278 98 N 5.0710 8.6555 115.1636 51.7968 42.4484 173.7232 99 V 4.8655 8.5750 122.8925 61.0392 33.7747 174.4772 100 A 4.8325 8.7153 128.1871 50.4707 22.9198 174.4739 101 I 5.0837 8.5661 121.6578 59.8182 39.5898 175.1813 102 S 4.9207 8.7783 121.3825 56.6284 67.4199 172.3091 103 L 4.6360 8.2669 122.6558 53.5215 43.1988 175.6836 104 S 4.3352 8.9619 124.0889 61.3402 62.9367 175.2342 105 R 4.5044 7.7137 115.2210 55.4338 33.6515 175.3906 106 T 3.4843 8.3970 117.2747 63.0587 67.1225 173.3366 107 E 3.4526 8.6785 122.8872 57.3877 28.8251 174.0278 108 A 4.7842 8.1347 121.3145 50.4147 21.5175 176.5579 109 L 4.1173 8.5125 123.2521 57.7159 41.9884 175.8727 110 N 4.0046 7.7008 117.1215 54.5261 39.8347 173.3699 111 H 4.7851 7.9748 116.2101 53.5496 31.9690 173.5476 112 H 4.4879 8.4268 114.8451 56.5440 28.6590 174.1817 113 N 5.2646 9.1957 121.5427 51.5103 43.2152 173.5540 114 T 5.3517 7.7145 108.1255 60.5905 72.1640 172.7262 115 L 4.4555 7.8344 125.6557 53.3732 43.9027 175.7708 116 V 4.7743 8.5213 124.4747 61.0152 32.5953 173.0680 117 C 4.9266 9.8873 128.1946 56.4397 39.4455 172.2351 118 S 4.9036 9.9555 123.2685 56.9288 65.2007 173.2702 119 V 4.7285 8.6776 126.9681 61.8103 32.7343 174.8357 120 T 4.9662 8.8008 117.8411 59.5366 72.7369 173.3784 121 D 4.4586 8.6442 117.2068 55.0111 38.6562 174.1366 122 F 5.5544 7.2332 113.4965 55.0703 39.7647 173.7635 123 Y 5.0334 8.1683 119.9345 56.5577 41.1282 172.4920 124 P 3.3057 0.0000 0.0000 62.4339 31.5791 175.5639 125 A 4.2314 7.9176 119.9349 52.4932 19.1884 177.5909 126 K 3.9735 7.6005 118.2783 56.2056 32.6131 175.5656 127 I 4.5560 7.6816 124.6670 59.8756 41.2983 173.2520 128 K 4.5536 8.9858 127.7490 54.6850 35.0576 175.1708 129 V 4.9727 8.0040 126.3337 61.3031 35.1548 174.5617 130 R 4.3643 8.1350 117.3541 55.2826 32.8986 174.2755 131 W 5.1181 8.4142 122.0346 56.3648 31.5424 174.9986 132 F 5.4061 9.3408 118.4302 56.3262 43.6364 174.1371 133 R 4.3523 10.0425 123.6544 54.3971 31.5244 174.7869 134 N 4.2113 9.4108 127.0674 54.2905 36.0295 175.7842 135 G 3.7896 8.0059 102.5671 45.7692 0.0000 171.9993 136 Q 4.6884 7.8388 119.9279 53.6992 30.2035 174.9594 137 E 4.0393 9.1145 122.7540 56.6164 29.7160 176.5538 138 E 4.3103 8.4818 125.1943 55.7377 29.3950 176.9016 139 T 4.0302 8.6171 115.1556 63.7591 69.4527 175.1789 140 V 4.3513 7.5325 119.7933 61.3389 34.3186 174.7796 141 G 3.9898 8.7716 112.2806 45.4205 0.0000 174.0769 142 V 4.8988 7.6185 118.5422 62.3582 32.7290 175.3678 143 S 4.8341 8.0421 116.0616 57.9402 65.2188 175.2046 144 S 5.3424 8.6345 115.8205 56.7297 66.2901 173.4647 145 T 4.2386 8.3019 110.9862 61.3119 69.8051 174.7253 146 Q 4.0533 9.0675 122.4375 56.8705 28.5630 175.5328 147 L 3.6838 7.4368 123.8108 51.0589 43.1621 175.8333 148 I 4.3547 8.5752 127.2458 60.1725 39.0256 174.8796 149 R 4.2319 8.4616 127.0265 54.5757 30.5499 176.2423 150 N 3.9259 8.5472 125.7397 54.6890 38.7703 176.3146 151 G 3.9222 7.4060 105.9737 45.2817 0.0000 173.6534 152 D 4.7848 7.6405 117.1000 52.9992 39.5785 175.9425 153 W 3.2230 8.4787 116.6919 57.8398 25.7054 173.8960 154 T 4.8745 7.1959 104.7891 60.5193 72.4380 172.7083 155 F 5.3149 8.6370 121.4004 55.8701 43.5974 173.5127 156 Q 5.0963 8.1771 117.2955 55.3823 32.7142 173.7049 157 V 4.5562 8.3062 115.0978 61.2576 35.1003 171.1025 158 L 5.2847 8.2155 122.6725 52.9911 45.0763 175.3242 159 V 4.5742 8.8204 123.6105 61.5927 33.7835 174.5671 160 M 5.0107 8.9421 128.2280 54.4882 34.3417 175.6535 161 L 4.3209 8.1366 122.4835 52.9229 44.9857 175.0923 162 E 4.4574 8.5611 129.1801 56.4259 30.1392 175.7357 163 M 4.3992 8.9645 122.3813 54.9037 35.1310 173.9166 164 T 5.1263 8.5876 117.0556 60.2506 69.9229 172.2495 165 P 4.7891 0.0000 0.0000 62.3609 32.5551 174.8767 166 H 5.3208 9.0886 120.1493 55.8621 28.6732 174.8421 167 Q 4.4300 8.6255 127.7591 56.6833 31.6672 175.1646 168 G 3.9695 9.0677 112.6213 45.0396 0.0000 173.0108 169 E 4.2412 7.8241 119.6780 55.8815 31.1637 175.6683 170 V 4.8049 8.6853 123.1381 61.2725 34.8881 173.6783 171 Y 5.7121 9.0715 124.7915 55.8513 41.0669 174.6619 172 T 5.2310 9.1551 120.6462 62.0843 72.3764 174.0739 173 C 4.0982 9.0351 126.1483 54.4973 44.7107 171.2213 174 H 4.4249 9.1483 125.9447 55.8612 31.0327 173.7940 175 V 4.7024 8.7200 125.8662 61.2394 34.1402 173.8435 176 E 4.9341 9.0783 127.8478 55.1474 32.6007 174.6710 177 H 4.6730 8.3140 119.7071 54.8862 32.7316 172.7713 178 P 4.3070 0.0000 0.0000 65.5977 31.5758 178.2995 179 S 4.3216 8.6559 112.3153 60.1386 63.3199 173.5843 180 L 4.8759 7.5272 121.1525 52.6788 43.0453 176.3441 181 K 4.0707 8.8631 125.4590 58.9624 32.5155 176.7088 182 S 4.8336 7.5732 111.6667 55.4471 65.1672 171.7365 183 P 4.5044 0.0000 0.0000 62.4964 31.8793 176.2753 184 I 4.0859 8.2637 125.3302 61.4277 38.2950 175.1134 185 T 4.9676 8.4019 115.6933 59.8301 71.7900 173.3170 186 V 4.4056 8.1185 122.4677 61.3153 34.2718 174.6053 187 E 5.1141 8.9659 127.2642 55.7873 31.4555 175.7984 188 W 5.1589 9.0757 130.8861 56.5391 34.5047 173.6207 189 R 4.8519 7.6852 124.9109 53.3667 33.2521 175.5430 190 A 3.9355 7.3640 122.8551 51.7382 18.4067 177.9607 191 Q 4.0864 7.7879 124.6604 57.6935 28.7258 177.4151 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 4 E 8.44 4.22 0.00 1.94 1.91 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 2.17 2.30 0.00 5 R 7.75 3.94 0.00 1.71 1.60 0.00 3.24 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 6 H 8.40 4.69 0.00 2.94 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.42 5.00 0.00 3.12 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 8 V 8.34 4.71 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 0.96 0.00 0.00 0.92 0.00 0.00 9 H 8.85 5.45 0.00 3.44 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 9.46 4.96 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 11 F 8.69 5.07 0.00 2.94 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 12 K 7.95 4.13 0.00 1.45 1.44 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.17 7.81 13 G 8.31 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 0.00 0.00 0.00 14 E 9.84 4.82 0.00 2.04 1.79 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 2.16 2.38 0.00 15 C 8.85 5.20 0.00 3.13 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 16 Y 9.39 4.77 0.00 2.70 2.88 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 0.00 0.00 0.00 17 F 9.26 5.31 0.00 2.76 2.96 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 0.00 18 T 8.49 4.49 4.27 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 1.24 0.00 0.00 19 N 9.70 4.07 0.00 2.93 2.76 0.00 0.00 7.09 7.94 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 20 G 7.69 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 0.00 0.00 0.00 0.00 21 T 8.15 4.32 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 0.93 0.00 0.00 22 Q 7.88 4.30 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.20 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 23 R 7.24 5.17 0.00 1.92 2.02 0.00 3.07 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 24 I 8.12 4.82 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.80 0.53 0.00 0.00 25 R 8.83 4.66 0.00 1.76 1.69 0.00 2.88 0.00 0.00 2.76 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 26 L 9.84 5.35 0.00 1.64 1.57 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.85 5.82 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 0.94 0.00 0.00 0.84 0.00 0.00 28 T 8.71 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 1.30 0.00 0.00 29 R 8.54 5.11 0.00 1.55 1.70 0.00 2.98 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.00 30 Y 8.52 4.81 0.00 2.49 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 31 I 9.02 4.93 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 1.06 0.00 0.00 32 Y 9.44 4.83 0.00 3.18 3.03 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 33 N 9.62 4.14 0.00 2.72 2.35 0.00 0.00 6.86 6.59 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 34 R 9.19 4.61 0.00 1.75 1.87 0.00 3.14 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 35 E 8.74 4.50 0.00 2.03 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 2.37 2.31 0.00 36 E 8.78 4.79 0.00 1.94 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 2.27 2.20 0.00 37 Y 7.94 4.93 0.00 3.16 3.28 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 38 L 6.58 5.22 0.00 1.83 1.21 1.14 -0.39 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 39 R 8.78 5.14 0.00 2.05 1.70 0.00 3.03 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 40 F 9.32 4.67 0.00 2.14 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 41 D 7.41 5.13 0.00 2.54 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 42 S 8.64 4.05 0.00 3.79 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 43 D 8.59 4.35 0.00 2.68 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 44 V 7.04 3.39 1.94 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 0.00 0.00 0.00 0.00 0.04 0.00 0.00 72 R 8.27 4.09 0.00 1.97 2.11 0.00 3.26 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 73 A 7.98 4.36 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 74 E 8.08 4.15 0.00 2.12 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 2.33 2.33 0.00 75 L 8.05 4.03 0.00 1.71 1.70 0.96 1.19 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 76 D 8.08 4.69 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 77 T 7.99 3.97 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 78 A 8.25 4.60 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 79 C 8.08 4.55 0.00 3.22 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 87 V 7.14 3.41 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 0.75 0.00 0.00 0.95 0.00 0.00 88 P 0.00 4.55 0.00 2.17 2.11 0.00 3.65 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 89 T 7.60 4.23 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 1.11 0.00 0.00 90 S 8.98 4.25 0.00 3.93 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 0.00 91 L 7.99 4.18 0.00 1.61 1.64 0.13 0.73 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 92 R 8.53 4.24 0.00 1.88 2.05 0.00 3.27 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 93 R 7.21 3.86 0.00 1.72 2.06 0.00 2.70 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 94 L 8.13 4.82 0.00 1.68 1.63 0.97 1.04 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 95 E 9.41 4.53 0.00 2.19 2.15 0.00 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4.97 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 1.28 0.00 0.00 121 D 8.64 4.46 0.00 2.87 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 0.00 122 F 7.23 5.55 0.00 3.23 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 0.00 123 Y 8.17 5.03 0.00 3.16 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 0.00 124 P 0.00 3.31 0.00 1.92 1.65 0.00 3.93 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 125 A 7.92 4.23 0.34 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 0.00 126 K 7.60 3.97 0.00 1.62 1.61 0.00 1.75 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.35 7.81 127 I 7.68 4.56 1.66 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.78 0.83 0.00 0.00 128 K 8.99 4.55 0.00 1.76 1.54 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81 129 V 8.00 4.97 1.98 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 0.70 0.00 0.00 0.78 0.00 0.00 130 R 8.14 4.36 0.00 1.56 1.82 0.00 2.71 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 131 W 8.41 5.12 0.00 3.28 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 0.00 132 F 9.34 5.41 0.00 3.11 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 0.00 133 R 10.04 4.35 0.00 2.01 1.88 0.00 3.64 0.00 0.00 3.53 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 0.00 134 N 9.41 4.21 0.00 2.88 2.81 0.00 0.00 6.99 8.23 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 0.00 135 G 8.01 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 0.00 136 Q 7.84 4.69 0.00 2.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 137 E 9.11 4.04 0.00 2.04 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 1.79 2.39 0.00 138 E 8.48 4.31 0.00 2.18 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 2.50 2.54 0.00 139 T 8.62 4.03 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 1.25 0.00 0.00 140 V 7.53 4.35 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 0.82 0.00 0.00 0.92 0.00 0.00 141 G 8.77 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 0.00 142 V 7.62 4.90 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 1.06 0.00 0.00 1.00 0.00 0.00 143 S 8.04 4.83 0.00 3.87 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 0.00 144 S 8.63 5.34 0.00 3.86 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 0.00 145 T 8.30 4.24 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 1.34 0.00 0.00 146 Q 9.07 4.05 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 147 L 7.44 3.68 0.00 1.70 1.50 0.76 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.58 4.35 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.91 0.00 0.00 149 R 8.46 4.23 0.00 2.19 1.86 0.00 3.14 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.27 0.00 150 N 8.55 3.93 0.00 2.86 2.77 0.00 0.00 7.21 7.33 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 0.00 151 G 7.41 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 0.00 152 D 7.64 4.78 0.00 2.79 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 0.00 153 W 8.48 3.22 0.00 3.24 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 0.00 154 T 7.20 4.87 4.06 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 1.25 0.00 0.00 155 F 8.64 5.31 0.00 2.06 2.65 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 0.00 156 Q 8.18 5.10 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 157 V 8.31 4.56 2.36 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 0.79 0.00 0.00 1.04 0.00 0.00 158 L 8.22 5.28 0.00 1.68 1.63 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.82 4.57 2.15 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 1.22 0.00 0.00 0.94 0.00 0.00 160 M 8.94 5.01 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 161 L 8.14 4.32 0.00 0.27 0.13 0.65 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.56 4.46 0.00 1.90 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 2.24 2.20 0.00 163 M 8.96 4.40 0.00 1.68 1.70 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.47 0.00 164 T 8.59 5.13 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 1.18 0.00 0.00 165 P 0.00 4.79 0.00 2.32 2.41 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 166 H 9.09 5.32 0.00 3.24 2.97 0.00 5.60 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 0.00 167 Q 8.63 4.43 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 168 G 9.07 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 0.00 169 E 7.82 4.24 0.00 2.05 1.76 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 2.38 2.39 0.00 170 V 8.69 4.80 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 1.13 0.00 0.00 0.96 0.00 0.00 171 Y 9.07 5.71 0.00 3.37 3.05 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 0.00 172 T 9.16 5.23 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 173 C 9.04 4.10 0.00 1.65 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 0.00 174 H 9.15 4.42 0.00 3.73 3.48 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.72 4.70 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 0.76 0.00 0.00 0.81 0.00 0.00 176 E 9.08 4.93 0.00 1.86 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 2.22 2.25 0.00 177 H 8.31 4.67 0.00 3.02 2.98 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.31 0.00 2.05 2.08 0.00 2.78 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.97 0.00 179 S 8.66 4.32 0.00 4.07 4.27 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 0.00 180 L 7.53 4.88 0.00 1.79 1.80 0.91 0.86 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 0.00 181 K 8.86 4.07 0.00 1.72 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 182 S 7.57 4.83 0.00 3.97 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 0.00 183 P 0.00 4.50 0.00 1.80 1.88 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 184 I 8.26 4.09 1.80 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 1.25 0.60 0.87 0.00 0.00 185 T 8.40 4.97 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 1.20 0.00 0.00 186 V 8.12 4.41 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 0.99 0.00 0.00 0.92 0.00 0.00 187 E 8.97 5.11 0.00 1.97 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 2.37 2.36 0.00 188 W 9.08 5.16 0.00 3.62 3.39 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 0.00 189 R 7.69 4.85 0.00 1.42 1.58 0.00 3.19 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 190 A 7.36 3.94 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 0.00 191 Q 7.79 4.09 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.