NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8710 8.4545 109.7372 45.6108 0.0000 173.9324 *1 H 4.1692 8.5853 115.8953 54.3467 28.5642 168.5860 2 A 4.4638 7.9047 118.5067 52.2381 22.3658 175.6918 3 L 4.1871 8.5359 125.2347 54.7920 42.9897 177.3275 4 K 4.1971 8.5934 127.2597 54.3969 31.9431 173.9490 5 A 4.7028 8.0711 124.1722 50.6957 22.3022 175.0302 6 T 4.4563 8.5798 116.1675 62.4578 70.5580 174.2523 7 I 4.8786 8.1727 126.3356 60.1275 38.9838 174.5646 8 Y 4.8349 9.3186 124.6113 56.0618 40.9851 174.7332 9 K 5.1165 9.1183 122.6909 54.5629 35.5353 175.1376 10 A 4.6303 8.7269 125.2472 50.5235 22.4235 174.9912 11 T 4.7323 8.5508 120.1771 62.8738 70.2820 174.3270 12 V 4.8869 8.7666 125.9898 59.7828 34.8517 173.8994 13 N 5.4768 9.2637 123.1996 51.6920 41.7868 172.9742 14 V 4.6757 9.0224 125.9819 61.1893 34.4986 174.0534 15 A 4.2963 9.4214 131.5031 50.1580 19.8509 173.7544 16 D 4.8814 9.1285 121.1475 53.5116 41.7025 176.8532 17 L 4.2385 9.2260 128.4362 57.4150 42.2610 179.7735 18 D 4.4585 8.4222 117.7700 56.9846 40.7865 177.2971 19 R 4.3426 8.3626 114.5342 54.8896 30.9197 175.6030 20 N 4.0085 7.5903 114.6654 54.3922 37.8474 174.3860 21 Q 4.4719 8.5452 118.7193 54.7283 32.8954 174.0525 22 F 5.7093 8.9437 125.2726 55.9354 41.1079 175.0110 23 L 4.8816 9.0376 124.4569 53.6250 45.9459 174.1922 24 D 5.6391 8.8161 123.9835 52.6943 43.4998 175.3279 25 A 4.6330 8.9218 122.9934 50.8736 23.3318 175.5894 26 S 4.9339 8.5468 117.1162 57.0268 63.5523 174.0625 27 L 4.3070 8.6224 125.6637 54.3055 43.4834 176.2798 28 T 5.0964 8.2191 116.4424 62.0907 72.3564 173.3166 29 L 4.6070 9.2344 126.3210 52.6884 44.9682 175.1872 30 A 4.9900 8.4861 125.3476 50.4172 20.7899 175.9386 31 R 4.6285 8.8762 124.2188 53.8410 32.0191 175.1938 32 H 4.6737 8.6978 126.5002 55.0969 30.6859 174.1478 33 P 4.1808 0.0000 0.0000 65.4861 31.2262 177.9747 34 S 4.2400 8.0429 111.1460 59.7972 63.1020 173.4839 35 E 4.3889 8.2388 124.3324 54.5998 30.1988 175.6393 36 T 4.0601 8.2341 116.3304 61.1756 69.7664 174.1156 37 Q 3.9478 8.6119 123.9737 59.3743 29.3454 177.7067 38 E 3.9632 8.1545 116.1355 59.4333 29.9359 178.3581 39 R 3.6665 7.4432 120.3334 56.1104 27.6087 175.8978 *42 L 4.0010 7.8755 123.3934 54.5898 44.5088 178.6025 43 R 3.8314 7.9059 117.6718 59.3154 29.9758 178.5937 44 L 4.0939 7.6754 119.1061 58.1943 42.1400 178.4407 45 L 3.8488 7.8205 119.4514 58.1692 41.9687 178.6329 46 A 3.4696 8.0262 120.9853 54.5427 17.5979 179.1691 47 W 3.8543 8.5782 127.3322 60.6357 30.7424 178.0206 48 L 4.1180 8.1168 118.6832 57.9009 40.9035 179.3797 49 K 3.6783 7.8146 117.9351 58.7111 32.0372 176.9967 50 Y 4.4497 7.3203 114.7111 56.9488 38.4519 175.5054 51 A 2.5800 6.7229 121.2147 51.7319 18.9551 177.6898 52 D 4.4955 7.1441 119.3100 52.7189 44.1762 175.5799 53 E 4.0735 9.0361 126.4929 59.1575 29.5395 177.7887 54 R 4.3499 8.5711 115.2155 55.7935 30.8043 175.9743 55 L 4.3056 7.8949 121.2684 54.9329 42.0705 175.6523 56 Q 4.7948 8.7579 125.5909 53.8650 31.7301 175.8747 57 F 4.9700 8.5401 121.7451 58.2184 40.0701 174.3265 58 T 4.3214 8.2149 114.2764 62.5422 70.6806 173.5024 59 R 4.4717 8.4402 124.9153 54.0305 33.3242 174.9787 60 G 3.7015 8.5139 112.4120 44.8426 0.0000 173.3074 61 L 4.1069 8.9304 126.0766 58.5967 42.3041 178.8723 62 C 3.6186 7.8519 114.4680 61.7892 29.2939 175.3460 *64 D 4.4442 7.5426 119.4808 49.7223 42.1208 178.9115 65 D 4.3557 8.2229 118.8125 56.1274 41.6462 174.5428 66 E 3.8244 8.8052 115.8870 54.6006 30.0792 174.5850 67 P 4.2533 0.0000 0.0000 61.9414 32.5687 176.3072 68 E 4.1431 8.6458 117.2628 59.0634 30.2300 177.4873 69 A 5.1582 7.6194 119.2207 50.0813 23.1286 175.0219 70 W 5.6844 9.2397 116.4334 54.7783 32.6787 173.9061 71 L 4.9494 8.9477 122.1582 53.5522 44.0962 175.3117 72 R 4.9134 8.4560 125.7030 54.9282 31.9765 176.6467 73 N 4.7412 8.9521 120.9125 51.6506 39.2377 175.5576 74 D 4.3988 8.5646 116.8729 57.1720 40.9027 177.0560 75 H 4.6264 8.3394 114.7369 55.3044 28.7852 175.3065 76 L 3.5733 7.7882 117.2212 55.2460 39.7943 174.9461 77 G 3.8917 8.1969 108.6384 44.6728 0.0000 173.1301 78 I 4.4008 7.9880 120.6309 60.3754 37.9356 176.5726 79 D 4.4880 9.2871 128.6587 56.3488 42.3605 176.6805 80 L 5.0569 7.8445 119.4840 52.9959 45.9493 174.7716 81 W 5.0494 9.2391 135.0000 55.7487 33.5265 173.8325 82 I 5.1179 8.7344 128.8151 59.7406 38.8988 174.3378 83 E 5.2048 9.7815 128.4365 54.3647 32.6645 174.5013 84 L 5.2420 9.0538 124.4653 54.3379 44.9288 176.3871 85 G 3.8452 9.1732 106.5705 44.3374 0.0000 174.0424 86 L 3.7434 7.6867 112.3648 51.8723 41.8996 174.2505 87 P 4.5428 0.0000 0.0000 62.1530 32.8294 177.6071 88 D 4.8904 8.4753 120.4443 52.5045 42.1036 176.9228 89 E 4.0578 8.7760 118.0628 60.0567 29.3426 179.9662 90 R 3.9413 7.9838 117.2874 59.0488 30.1740 179.0011 91 R 3.8812 8.3020 118.5526 59.5099 30.0848 178.5595 92 I 3.4969 7.7338 119.5988 64.2377 37.1120 178.2966 93 K 3.2990 8.0418 120.5145 59.1003 31.8697 178.7053 94 K 3.7845 8.0282 119.6572 59.2578 31.9428 178.6559 95 A 2.0000 7.2707 120.8005 54.7963 17.9565 179.5343 96 C 3.9021 7.4044 114.1337 62.7901 28.1556 176.0598 97 T 4.1205 7.5856 110.3208 63.8242 68.7368 176.1343 98 Q 4.3312 7.4643 119.0447 55.4013 29.6208 175.3342 99 A 5.0573 6.9804 121.8730 49.7371 22.0291 175.7897 100 A 4.2706 8.7926 123.5518 54.7645 19.2433 178.1060 101 E 4.8202 8.3767 115.5104 54.6578 33.6973 174.3693 102 V 5.0917 9.0028 126.1437 61.0055 34.7804 173.8262 103 A 5.1574 9.3264 129.7123 50.2103 21.6091 174.4158 104 L 5.2480 9.2678 125.5456 53.7211 44.7331 175.1954 105 F 5.2648 9.8111 126.0934 56.1942 40.5938 174.8084 106 T 4.9035 8.8515 115.7887 61.0366 70.8867 173.5282 107 Y 4.8134 7.9109 120.2433 56.9978 41.6670 171.1507 108 N 4.2789 8.9865 121.3587 53.5003 36.0932 174.2073 109 S 4.2288 9.2183 118.9647 61.8934 62.7792 176.2672 110 R 3.9211 8.1964 119.1435 60.1115 30.0638 178.8949 111 A 4.2521 8.1630 119.2244 55.0825 18.4396 179.3864 112 A 4.2679 8.4711 119.6440 55.2417 18.4682 179.8972 113 Q 3.9797 8.2306 116.5998 59.1643 28.8727 178.9215 114 I 3.6923 7.3428 120.9700 64.1873 37.3728 178.0870 115 W 4.1986 8.3366 129.0136 60.5616 30.5154 177.8647 116 W 4.1964 9.1010 130.8541 60.9303 29.7773 178.6473 117 Q 3.8095 8.1013 122.7531 59.9680 27.5841 181.4207 118 Q 4.5639 7.4076 118.8922 57.0083 28.6456 178.5644 119 N 4.7625 7.2045 116.4083 54.1499 42.2855 177.0968 120 Q 2.0000 7.3250 118.1811 57.3925 27.7614 184.6179 121 S 4.2798 7.3974 109.7490 59.0015 63.0720 174.4902 122 K 4.2928 7.2653 120.3365 57.8413 34.0921 178.1564 123 C 4.5417 8.2750 117.1898 62.6430 28.1801 176.2178 124 V 3.7606 7.3531 117.9281 64.2358 30.8620 177.2700 125 Q 3.8366 7.4183 117.6988 57.3065 28.4205 175.7943 126 F 4.5573 8.0869 118.0381 55.8338 38.8859 176.1960 127 A 4.3590 8.6886 128.4450 53.2691 18.4996 176.8226 128 N 5.1114 8.1669 112.8331 52.2043 39.1438 173.0309 129 L 5.0336 7.7344 120.6053 54.1009 43.8773 175.7389 130 S 4.8061 9.0684 122.0636 56.5998 66.3390 172.9972 131 V 4.5890 8.2362 124.4774 60.8123 33.8152 174.0822 132 W 5.0159 8.8564 128.1007 54.9027 31.8234 174.1598 133 Y 5.0783 8.5881 125.0769 54.6340 41.2707 173.9130 134 L 4.4637 7.3702 126.2897 52.8885 44.9524 175.9498 135 D 4.4414 8.0169 124.5928 51.8120 40.9893 176.8755 136 D 4.3859 8.2260 120.1983 57.6235 40.6833 179.0084 137 E 3.9236 8.2059 118.3449 59.7620 29.5110 179.2900 138 Q 3.9803 8.7812 118.2213 58.8100 28.7053 178.7378 139 L 3.8347 7.9889 121.0958 58.1647 41.9292 178.9504 140 A 4.0109 7.9248 120.5546 55.1419 18.0628 179.8227 141 K 3.9599 7.7297 115.7801 59.4141 32.4653 179.5034 142 V 3.9020 8.2133 119.0841 66.1300 31.6127 177.9188 143 S 4.0930 8.5669 113.0529 61.4048 61.8628 175.9755 144 A 4.0644 7.4923 122.2401 54.4126 18.1462 178.7843 145 F 4.2235 8.0764 114.3698 57.5041 39.2957 175.6715 146 A 4.1596 7.3305 122.9298 52.2790 18.5911 176.3991 147 D 4.8359 8.3665 121.0197 52.6293 44.5703 175.4476 148 R 3.5531 8.5055 122.0584 58.4229 30.3725 176.7451 149 T 5.0507 7.4505 109.6732 58.9929 70.3340 173.2551 *151 T 4.2672 8.3144 122.5695 63.5520 69.2742 173.2360 152 L 5.0616 8.8132 126.7383 52.7705 45.5348 175.4364 153 Q 5.1092 9.2820 123.5644 54.2527 32.0219 174.0491 154 A 5.1968 9.0584 127.2134 50.5567 22.5677 174.6585 155 T 5.0117 9.0438 119.4708 61.7545 71.5954 173.4727 156 I 5.0653 8.7681 126.8903 59.5752 40.5336 174.5646 157 Q 4.8353 9.1216 127.3474 55.6191 32.9518 174.1069 158 D 4.6493 10.2463 126.4205 55.5369 38.8179 175.6286 159 G 3.8885 8.6735 107.4183 45.7174 0.0000 175.0516 160 V 3.7521 7.3002 120.2182 62.5900 33.0280 174.9813 161 I 4.4948 7.9538 127.8385 59.2781 39.6734 174.9859 162 W 4.6418 9.3322 129.4376 55.9716 30.0078 175.2987 163 L 5.0804 9.0574 128.5978 53.2895 43.8176 175.3633 164 S 5.3191 9.0343 119.8693 57.1753 66.6207 172.4059 165 D 5.0553 8.8236 122.2639 53.0183 39.8787 176.3640 166 D 4.5425 8.8634 114.9861 55.2810 40.3023 178.1298 167 K 4.1322 8.6448 119.5323 58.2958 32.6987 176.4379 168 N 5.1497 8.1442 113.6573 51.3328 42.0045 172.7066 169 N 5.6554 8.4657 116.9431 52.3353 42.2359 173.2356 170 L 4.7847 9.6685 127.7027 53.6166 46.1597 174.0016 171 E 4.1902 8.8202 127.3653 55.1351 30.7577 175.1282 172 V 4.3496 8.2293 127.1194 61.1755 34.2873 173.9806 173 N 5.0347 9.2938 125.6931 50.9914 39.8210 173.7238 174 L 4.2674 8.1836 123.3100 54.8490 42.8774 176.6304 175 T 4.4646 8.9631 120.4363 62.7075 70.3024 174.1683 176 A 4.2539 8.6981 128.5206 50.6047 17.9332 176.7614 177 W 4.4724 8.3791 122.2560 60.3789 29.9733 177.0988 178 Q 4.7125 7.4798 119.0666 55.0535 32.0417 173.6124 179 Q 4.6652 8.4492 123.8260 52.9839 32.8814 173.3140 180 P 4.4431 0.0000 0.0000 63.3954 31.0244 176.0398 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 0 G 8.45 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 *1 H 8.59 4.17 0.00 3.02 2.88 0.00 7.24 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.90 4.46 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 3 L 8.54 4.19 0.00 1.60 1.58 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.59 4.20 0.00 1.82 1.60 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.00 7.81 5 A 8.07 4.70 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 6 T 8.58 4.46 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 1.01 0.00 0.00 7 I 8.17 4.88 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.90 0.00 0.00 8 Y 9.32 4.83 0.00 2.74 2.79 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 9 K 9.12 5.12 0.00 1.60 1.65 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.47 7.81 10 A 8.73 4.63 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.55 4.73 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 12 V 8.77 4.89 2.00 0.00 0.00 0.00 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 13 N 9.26 5.48 0.00 2.81 2.64 0.00 0.00 6.31 7.45 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 14 V 9.02 4.68 2.13 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 0.89 0.00 0.00 1.06 0.00 0.00 15 A 9.42 4.30 0.58 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 16 D 9.13 4.88 0.00 2.76 2.79 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 17 L 9.23 4.24 0.00 1.95 1.77 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.42 4.46 0.00 2.81 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 0.00 0.00 0.00 0.00 19 R 8.36 4.34 0.00 1.78 1.93 0.00 3.21 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 20 N 7.59 4.01 0.00 2.79 2.74 0.00 0.00 6.76 6.96 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 21 Q 8.55 4.47 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 22 F 8.94 5.71 0.00 2.82 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 23 L 9.04 4.88 0.00 1.75 1.52 0.96 1.26 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 24 D 8.82 5.64 0.00 2.60 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 25 A 8.92 4.63 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.55 4.93 0.00 3.71 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 27 L 8.62 4.31 0.00 1.38 1.39 0.09 -1.06 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 28 T 8.22 5.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 L 9.23 4.61 0.00 1.38 1.16 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.49 4.99 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 31 R 8.88 4.63 0.00 1.68 2.02 0.00 2.79 0.00 0.00 3.30 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 32 H 8.70 4.67 0.00 3.16 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.18 0.00 1.94 2.05 0.00 2.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 34 S 8.04 4.24 0.00 4.02 4.11 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 35 E 8.24 4.39 0.00 1.97 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 2.13 2.15 0.00 36 T 8.23 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 1.23 0.00 0.00 37 Q 8.61 3.95 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 38 E 8.15 3.96 0.00 1.92 1.84 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 2.25 2.26 0.00 39 R 7.44 3.67 0.00 1.75 1.81 0.00 3.21 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 *42 L 7.88 4.00 0.00 1.56 1.50 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.91 3.83 0.00 1.63 1.74 0.00 2.58 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 44 L 7.68 4.09 0.00 1.63 1.56 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.82 3.85 0.00 1.65 1.66 0.77 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.03 3.47 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.40 1.52 0.85 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.76 4.79 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 57 F 8.54 4.97 0.00 2.93 2.86 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 58 T 8.21 4.32 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 0.37 0.00 0.00 59 R 8.44 4.47 0.00 1.80 1.61 0.00 3.32 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 60 G 8.51 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 61 L 8.93 4.11 0.00 1.65 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 C 7.85 3.62 0.00 3.10 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 *64 D 7.54 4.44 0.00 2.65 2.67 0.00 0.00 0.00 0.00 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2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.25 7.81 123 C 8.28 4.54 0.00 3.13 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 0.00 124 V 7.35 3.76 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 0.59 0.00 0.00 0.90 0.00 0.00 125 Q 7.42 3.84 0.00 1.72 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.25 0.00 126 F 8.09 4.56 0.00 3.31 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 0.00 127 A 8.69 4.36 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.17 5.11 0.00 2.92 3.02 0.00 0.00 5.74 6.67 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 0.00 129 L 7.73 5.03 0.00 1.77 1.87 0.96 1.03 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 0.00 130 S 9.07 4.81 0.00 3.98 3.44 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 0.00 131 V 8.24 4.59 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 0.97 0.00 0.00 1.13 0.00 0.00 132 W 8.86 5.02 0.00 2.43 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 0.00 133 Y 8.59 5.08 0.00 1.43 1.63 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 0.00 134 L 7.37 4.46 0.00 1.46 1.26 0.78 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.02 4.44 0.00 3.00 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 0.00 136 D 8.23 4.39 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.21 3.92 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 138 Q 8.78 3.98 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 139 L 7.99 3.83 0.00 1.80 1.82 0.70 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 140 A 7.92 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.73 3.96 0.00 1.91 1.93 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.66 7.81 142 V 8.21 3.90 2.16 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 0.91 0.00 0.00 0.92 0.00 0.00 143 S 8.57 4.09 0.00 3.96 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 0.00 144 A 7.49 4.06 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.08 4.22 0.00 3.15 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 0.00 146 A 7.33 4.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.37 4.84 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.51 3.55 0.00 1.73 1.64 0.00 2.82 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.40 0.00 149 T 7.45 5.05 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 *151 T 8.31 4.27 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 152 L 8.81 5.06 0.00 1.49 1.44 0.86 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 9.28 5.11 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 154 A 9.06 5.20 1.15 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 0.00 0.00 155 T 9.04 5.01 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 1.22 0.00 0.00 156 I 8.77 5.07 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.79 0.91 0.00 0.00 157 Q 9.12 4.84 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.24 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 158 D 10.25 4.65 0.00 2.93 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 0.00 159 G 8.67 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 0.00 160 V 7.30 3.75 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.83 0.00 0.00 161 I 7.95 4.49 1.68 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.46 0.79 0.00 0.00 162 W 9.33 4.64 0.00 3.32 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 0.00 163 L 9.06 5.08 0.00 1.46 1.36 0.63 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 164 S 9.03 5.32 0.00 4.09 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 0.00 165 D 8.82 5.06 0.00 2.89 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 0.00 166 D 8.86 4.54 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 K 8.64 4.13 0.00 1.68 1.85 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 168 N 8.14 5.15 0.00 2.57 2.66 0.00 0.00 6.35 6.92 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 0.00 169 N 8.47 5.66 0.00 2.74 2.72 0.00 0.00 6.66 7.78 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 0.00 170 L 9.67 4.78 0.00 1.99 1.68 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.82 4.19 0.00 1.72 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 1.85 1.47 0.00 172 V 8.23 4.35 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 0.78 0.00 0.00 0.81 0.00 0.00 173 N 9.29 5.03 0.00 2.47 2.66 0.00 0.00 7.08 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 0.00 174 L 8.18 4.27 0.00 1.40 1.67 0.67 0.99 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 0.00 175 T 8.96 4.46 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 1.41 0.00 0.00 176 A 8.70 4.25 1.09 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 0.00 177 W 8.38 4.47 0.00 2.82 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 0.00 178 Q 7.48 4.71 0.00 2.40 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 179 Q 8.45 4.67 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 180 P 0.00 4.44 0.00 2.21 2.21 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.