NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.9568 8.2876 117.7866 55.3720 31.9652 174.9675 1 M 5.0896 9.1641 117.4497 53.2811 34.0453 173.0369 2 R 4.9278 8.6061 117.1781 54.1561 33.2991 176.2171 3 K 4.3308 8.6919 121.9956 56.3961 33.4756 175.3281 4 A 5.8844 9.3641 128.1817 49.0030 22.7771 174.6557 5 W 5.0293 8.3375 115.0681 54.9795 32.6793 174.0056 6 V 3.6475 8.3644 119.8287 61.4422 30.4778 175.5047 7 K 4.1037 8.1406 130.4643 59.2079 32.6040 176.9266 8 T 4.2929 7.1374 111.0546 61.0298 70.7313 171.7634 9 L 4.8643 8.6027 129.0415 53.4532 43.8038 175.2375 10 A 4.6703 8.2780 128.3774 50.2686 22.1419 175.1367 11 L 4.7797 8.1341 119.0934 53.2058 42.9056 176.6667 12 D 4.4800 8.8368 124.6496 54.7475 41.9045 177.2735 13 R 4.2576 8.9263 123.5641 57.2646 30.6566 176.4356 14 V 4.1165 7.4965 115.4422 62.2546 33.6770 176.3109 15 S 4.0544 8.6759 117.2135 59.7770 63.7287 174.6730 16 N 4.5193 8.5295 116.6762 54.7911 36.8402 172.9419 17 T 4.8542 7.5357 105.0187 58.6372 72.9581 171.7005 18 P 5.0663 0.0000 0.0000 62.8935 32.6518 175.8637 19 V 4.5507 8.7734 121.7303 59.8660 35.4134 174.2079 20 V 4.1983 8.2687 122.4235 61.1701 34.3046 174.2789 21 I 4.4210 8.1441 129.2267 59.8521 38.5821 174.7815 22 L 4.3934 8.4871 129.4673 53.1974 42.8791 176.9694 23 G 2.5137 7.2393 111.8935 45.7029 0.0000 172.5781 24 I 4.8414 8.0152 124.7337 58.7548 37.4646 173.6636 25 E 3.8966 8.9051 124.0326 56.7656 29.8501 178.4845 26 G 4.0296 9.5697 111.9109 45.4844 0.0000 172.7045 27 T 4.7712 7.4491 107.7170 60.2139 72.1840 172.7768 28 N 4.9506 8.6404 116.9788 53.6527 39.8417 174.6939 29 R 5.0758 7.9989 118.3411 54.9655 32.7060 175.9347 30 V 4.7629 8.7206 114.7416 59.4349 36.4665 174.3317 31 L 4.9355 8.7598 125.7014 52.6088 44.4988 173.4348 32 P 4.8294 0.0000 0.0000 62.1387 32.7673 175.4478 33 I 4.4856 8.3238 123.6785 59.1977 40.7113 174.3645 34 W 4.9452 9.4694 127.5814 55.8472 29.7618 175.8256 35 I 4.5241 8.1133 118.3702 58.6258 40.1717 175.5360 36 G 4.4077 8.7652 110.0847 44.2027 0.0000 174.6583 37 A 3.9816 8.7000 121.0832 55.2089 18.3352 180.0428 38 A 4.0012 7.9541 118.7095 55.2845 18.5061 179.5971 39 E 4.0805 8.2333 116.9564 59.2826 29.5449 179.0929 40 G 3.7442 8.1051 105.8997 48.3817 0.0000 174.9033 41 H 4.0741 8.3129 120.7306 58.7530 29.8418 176.9279 42 A 4.0715 8.1473 122.4322 55.3723 18.0326 179.4893 43 L 3.8335 8.0530 118.2030 58.2721 42.3209 178.6713 44 A 4.0386 8.2770 121.1142 55.5267 18.2320 179.6637 45 L 3.9018 7.9261 116.8104 57.6541 41.7226 179.5140 46 A 4.0264 7.7023 120.9716 55.2391 18.0953 179.5943 47 M 3.9918 8.1857 116.6228 58.5979 32.2438 178.5354 48 E 4.0586 8.0564 115.6293 56.1857 30.8984 177.1832 49 K 3.7035 7.3317 116.3476 57.2653 29.6785 172.7432 50 M 4.2419 7.8554 118.7537 53.8128 33.7787 175.7310 51 E 4.2254 8.5257 123.0612 55.3684 30.4980 172.3448 52 F 5.4751 8.5074 122.7012 54.2606 42.0600 174.1161 53 P 4.6256 0.0000 0.0000 63.3844 31.6942 176.2346 54 R 4.6029 7.5005 117.7648 53.6535 33.8569 173.0151 55 P 4.2988 0.0000 0.0000 62.8158 31.6464 177.0177 56 L 4.4220 8.7361 124.2952 53.7987 44.0950 177.8289 57 T 3.8722 8.3878 115.4258 67.2580 68.2169 176.2899 58 H 4.3842 8.2135 117.1839 58.0144 28.8955 177.2826 59 D 4.3954 8.1212 120.8166 57.1518 40.6300 178.0835 60 L 3.9330 8.0648 120.8727 58.0647 42.0632 178.8183 61 L 3.9313 7.5424 120.1440 58.3479 42.0214 179.0726 62 L 4.0740 8.0566 118.7115 57.5136 41.3593 179.7473 63 S 4.0962 8.3127 115.8172 61.5404 62.8060 176.5806 64 V 3.5974 7.9677 121.0461 66.0635 31.2862 177.7144 65 L 3.9308 7.9614 118.4942 57.9624 41.4483 178.9322 66 E 3.8895 8.3836 119.0377 59.8111 29.3791 179.0542 67 S 4.1670 8.6810 114.2798 60.9571 62.8574 175.6005 68 L 4.5491 7.3671 120.0928 54.9402 43.7552 177.6157 69 E 3.6836 8.5152 114.0871 56.5581 26.5112 173.6367 70 A 5.1243 8.2329 124.4244 51.3527 23.5142 175.9297 71 R 4.6332 8.8685 113.9805 54.8041 32.9580 175.0396 72 V 3.8982 8.5456 121.2006 64.0507 31.7333 174.3470 73 D 4.9510 8.5317 125.6857 55.0776 43.2879 175.7555 74 K 4.6265 7.6227 114.5949 56.7311 35.7198 173.8881 75 V 4.9336 8.2378 119.3551 61.6916 35.1919 173.3134 76 I 5.0791 8.8169 128.6382 59.6984 40.2742 174.4811 77 I 4.7761 8.6782 128.9276 60.5230 37.9451 175.9455 78 H 5.0489 9.2255 121.6642 55.4423 30.4583 173.8611 79 S 4.7719 7.9716 113.7889 56.9672 67.7097 172.7140 80 L 5.3285 8.4686 123.9281 52.3873 44.2044 175.5158 81 K 4.3345 8.6916 127.9481 55.4900 33.9266 174.5494 82 D 4.3803 9.5001 124.7175 56.3415 37.6796 172.8897 83 N 4.1415 8.0752 111.0710 53.8191 37.1572 174.3543 84 T 4.5971 7.5631 114.2256 61.5849 71.5589 172.7032 85 F 5.2403 8.6352 123.3415 56.0582 41.2392 174.3586 86 Y 4.6248 9.2643 122.0651 56.4677 39.6626 174.8995 87 A 5.3738 8.6816 125.0687 50.4411 23.2257 174.7547 88 T 4.9131 9.0393 116.1315 61.7462 71.5728 173.2460 89 L 4.7172 9.4986 130.1760 53.7299 43.8801 175.3122 90 V 4.7272 8.3007 127.3124 61.6048 32.7042 175.0062 91 I 4.4260 8.5677 129.7849 60.8903 38.7768 175.1015 92 R 4.7152 9.0140 125.7185 54.7549 33.4585 174.2685 93 D 4.9174 8.3220 125.3941 52.3252 40.2610 176.0632 94 L 4.0390 8.0703 125.8763 57.1057 42.4936 177.9024 95 T 4.1835 7.4794 106.4579 61.9429 68.7989 175.2430 *104 A 4.0595 7.7563 125.1125 53.0926 18.7846 176.8518 105 A 4.7781 7.8511 126.7168 51.9251 20.2910 176.4980 106 L 4.8699 7.9549 118.3797 55.3218 43.8460 176.5982 107 I 4.5429 8.5702 122.4261 59.5983 40.4710 174.4222 108 D 4.9378 8.8413 127.2210 53.8386 41.5110 175.7076 109 I 4.5405 8.7951 125.5223 59.2068 39.7503 175.0764 110 D 4.8779 8.7370 126.4105 54.7459 42.0976 174.9743 111 S 4.7383 8.9730 117.8313 57.0593 66.5932 173.9609 112 R 4.3711 8.5432 122.9109 55.3886 30.9039 176.3075 113 P 4.3320 0.0000 0.0000 65.6139 31.3231 179.2661 114 S 4.1429 8.0126 112.8520 61.4853 62.8853 176.2491 115 D 4.3009 8.0284 121.6800 57.0993 40.8849 178.0246 116 A 4.0443 8.0051 121.1585 55.6978 18.3351 179.8356 117 I 3.6812 8.4109 118.2419 64.3171 37.1231 178.5059 118 I 3.6282 7.7989 120.7001 64.6588 36.9411 178.4204 119 L 3.9991 8.0491 119.2133 57.6032 41.3211 179.5708 120 A 3.9607 7.9562 120.6970 55.1070 18.1489 179.5837 121 V 3.5168 7.5423 115.2112 66.3452 31.6611 178.0536 122 K 4.1209 7.9280 116.7784 59.6536 31.9821 179.1250 123 T 4.1789 8.0562 109.1675 62.4550 69.0423 175.9838 124 G 3.8542 8.4180 108.5288 44.8809 0.0000 173.0667 125 A 4.4613 7.3326 121.3026 50.5065 18.8801 176.4635 126 P 4.3850 0.0000 0.0000 62.9415 33.2281 175.0683 127 I 4.9755 7.9275 120.7274 59.7514 40.1391 174.7748 128 F 5.2402 9.2836 126.0050 55.9088 41.5515 175.0093 129 V 4.9496 8.4695 120.6952 60.8632 34.4783 174.5919 130 S 4.1743 8.9868 122.0923 59.4250 63.0185 174.4368 131 D 4.4450 9.1283 127.8489 57.9112 40.7394 178.8682 132 N 4.2755 7.8787 116.9358 57.0597 38.8765 176.2804 133 L 4.0674 8.1439 119.4543 58.0184 41.7640 179.2704 134 V 3.6074 7.8984 117.5749 66.4964 31.2060 178.2275 135 E 4.0758 8.0776 116.7186 59.4239 29.5362 178.9951 136 K 4.1944 7.9617 116.8252 58.3298 32.4272 177.4182 137 H 5.0379 8.7279 112.6658 54.9524 30.6710 173.4568 138 S 4.9176 7.6236 113.6057 57.5081 64.6501 173.3129 139 I 4.7949 8.6201 112.6499 59.2316 41.2056 173.4779 140 E 5.0608 8.7892 123.7253 54.5443 31.6574 174.7695 141 L 4.8365 8.2011 125.8208 53.3716 43.5737 177.2211 142 E 4.4705 8.0416 124.5325 56.3962 30.1558 177.0217 143 V 3.7530 8.0781 112.2452 65.6195 31.2436 177.9326 144 N 4.3875 8.0084 115.6711 56.3282 38.3429 177.3072 145 E 4.0040 8.1015 119.0367 59.3604 29.6414 179.1200 146 R 4.1085 7.4720 116.4672 59.2579 30.6189 178.0772 147 D 4.5518 8.1880 118.1452 57.5428 40.6069 178.5389 148 L 4.2578 7.3170 115.7671 56.2212 41.8524 177.4132 149 I 4.7351 7.9275 119.7522 61.2090 38.7139 175.0032 150 N 4.5899 8.3535 123.0588 53.4642 38.8845 174.7210 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 H 8.29 4.96 0.00 3.12 2.79 0.00 5.62 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 9.16 5.09 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 2 R 8.61 4.93 0.00 1.98 2.13 0.00 2.88 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 3 K 8.69 4.33 0.00 1.65 1.64 0.00 1.24 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.17 7.81 4 A 9.36 5.88 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 5 W 8.34 5.03 0.00 3.31 3.31 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 6 V 8.36 3.65 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 0.66 0.00 0.00 0.86 0.00 0.00 7 K 8.14 4.10 0.00 1.18 1.55 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.48 7.81 8 T 7.14 4.29 4.16 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 1.10 0.00 0.00 9 L 8.60 4.86 0.00 1.54 1.48 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.28 4.67 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 11 L 8.13 4.78 0.00 1.54 1.63 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.84 4.48 0.00 2.92 2.70 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 13 R 8.93 4.26 0.00 1.87 1.98 0.00 3.21 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 14 V 7.50 4.12 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 0.83 0.00 0.00 0.96 0.00 0.00 15 S 8.68 4.05 0.00 4.03 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 16 N 8.53 4.52 0.00 3.06 2.97 0.00 0.00 7.13 7.70 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 17 T 7.54 4.85 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 1.32 0.00 0.00 18 P 0.00 5.07 0.00 2.10 2.00 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 19 V 8.77 4.55 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.01 0.00 0.00 20 V 8.27 4.20 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 0.60 0.00 0.00 0.80 0.00 0.00 21 I 8.14 4.42 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.69 0.00 0.00 22 L 8.49 4.39 0.00 1.45 1.36 0.73 0.50 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 23 G 7.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.02 4.84 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.68 0.96 0.00 0.00 25 E 8.91 3.90 0.00 2.18 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 2.26 2.17 0.00 26 G 9.57 4.03 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 0.00 27 T 7.45 4.77 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 1.34 0.00 0.00 28 N 8.64 4.95 0.00 2.88 2.87 0.00 0.00 6.72 7.66 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 29 R 8.00 5.08 0.00 1.81 1.82 0.00 3.09 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 30 V 8.72 4.76 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 0.54 0.00 0.00 0.84 0.00 0.00 31 L 8.76 4.94 0.00 1.60 1.33 1.06 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.83 0.00 1.17 1.65 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 33 I 8.32 4.49 1.57 0.00 0.00 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 -0.30 0.05 0.84 0.00 0.00 34 W 9.47 4.95 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.11 4.52 1.89 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 1.15 0.65 0.90 0.00 0.00 36 G 8.77 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 0.00 0.00 0.00 0.00 37 A 8.70 3.98 1.35 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 0.00 0.00 0.00 38 A 7.95 4.00 1.34 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 39 E 8.23 4.08 0.00 2.22 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 2.42 2.47 0.00 40 G 8.11 3.74 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 0.00 0.00 0.00 41 H 8.31 4.07 0.00 3.32 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.15 4.07 1.46 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 0.00 0.00 43 L 8.05 3.83 0.00 1.86 1.77 0.87 0.97 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 44 A 8.28 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.93 3.90 0.00 1.89 1.67 1.21 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.70 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.19 3.99 0.00 1.93 2.10 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 2.70 2.56 0.00 48 E 8.06 4.06 0.00 1.86 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 2.30 2.44 0.00 49 K 7.33 3.70 0.00 1.82 1.76 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.49 7.81 50 M 7.86 4.24 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.96 0.00 51 E 8.53 4.23 0.00 2.03 1.74 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 2.23 1.90 0.00 52 F 8.51 5.48 0.00 3.04 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 53 P 0.00 4.63 0.00 2.21 2.21 0.00 3.78 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 54 R 7.50 4.60 0.00 1.78 1.78 0.00 3.33 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 55 P 0.00 4.30 0.00 2.19 2.11 0.00 3.76 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 1.99 2.00 0.00 56 L 8.74 4.42 0.00 2.01 1.74 1.15 0.46 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 57 T 8.39 3.87 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 1.13 0.00 0.00 58 H 8.21 4.38 0.00 3.26 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.12 4.40 0.00 2.94 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 60 L 8.06 3.93 0.00 1.76 1.84 0.93 0.42 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 61 L 7.54 3.93 0.00 1.85 1.82 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.06 4.07 0.00 1.91 1.72 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.31 4.10 0.00 4.07 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 64 V 7.97 3.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 65 L 7.96 3.93 0.00 1.94 1.91 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.38 3.89 0.00 2.04 2.26 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 2.32 2.37 0.00 67 S 8.68 4.17 0.00 4.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.37 4.55 0.00 1.79 1.67 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.52 3.68 0.00 2.09 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 0.00 2.27 2.25 0.00 70 A 8.23 5.12 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 71 R 8.87 4.63 0.00 1.86 2.00 0.00 2.80 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 72 V 8.55 3.90 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 0.79 0.00 0.00 0.96 0.00 0.00 73 D 8.53 4.95 0.00 2.72 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 74 K 7.62 4.63 0.00 2.19 2.04 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.41 7.81 75 V 8.24 4.93 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 1.07 0.00 0.00 1.04 0.00 0.00 76 I 8.82 5.08 1.98 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 1.37 0.74 1.02 0.00 0.00 77 I 8.68 4.78 1.90 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 1.23 0.53 0.95 0.00 0.00 78 H 9.23 5.05 0.00 3.14 3.46 0.00 5.74 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.97 4.77 0.00 3.68 3.67 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 80 L 8.47 5.33 0.00 1.00 1.34 -0.32 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.69 4.33 0.00 1.77 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.50 7.81 82 D 9.50 4.38 0.00 2.80 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 83 N 8.08 4.14 0.00 2.79 2.82 0.00 0.00 7.02 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 84 T 7.56 4.60 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 0.91 0.00 0.00 85 F 8.64 5.24 0.00 2.95 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 86 Y 9.26 4.62 0.00 2.81 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 87 A 8.68 5.37 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 9.04 4.91 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 1.24 0.00 0.00 89 L 9.50 4.72 0.00 1.77 1.71 0.96 0.19 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 90 V 8.30 4.73 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.02 0.00 0.00 91 I 8.57 4.43 1.89 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 1.13 0.85 0.93 0.00 0.00 92 R 9.01 4.72 0.00 1.83 1.74 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 93 D 8.32 4.92 0.00 2.94 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 94 L 8.07 4.04 0.00 1.72 1.77 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.48 4.18 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 *104 A 7.76 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.85 4.78 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 0.00 106 L 7.95 4.87 0.00 1.53 1.60 0.91 0.92 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 0.00 107 I 8.57 4.54 1.88 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 1.23 0.68 0.92 0.00 0.00 108 D 8.84 4.94 0.00 2.57 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 0.00 109 I 8.80 4.54 2.01 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 1.13 1.04 0.94 0.00 0.00 110 D 8.74 4.88 0.00 2.75 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 0.00 111 S 8.97 4.74 0.00 3.94 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 0.00 112 R 8.54 4.37 0.00 2.07 1.83 0.00 3.18 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 113 P 0.00 4.33 0.00 2.12 2.06 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 114 S 8.01 4.14 0.00 4.04 4.13 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 0.00 115 D 8.03 4.30 0.00 2.87 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 0.00 116 A 8.01 4.04 1.40 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 0.00 0.00 117 I 8.41 3.68 1.87 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 1.46 0.84 0.85 0.00 0.00 118 I 7.80 3.63 1.86 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.67 0.00 0.00 119 L 8.05 4.00 0.00 1.73 1.75 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.96 3.96 1.47 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 0.00 0.00 0.00 121 V 7.54 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 122 K 7.93 4.12 0.00 1.90 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.34 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.64 7.81 123 T 8.06 4.18 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 1.25 0.00 0.00 124 G 8.42 3.85 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 0.00 0.00 0.00 125 A 7.33 4.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.39 0.00 1.77 2.13 0.00 3.88 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 2.30 2.23 0.00 127 I 7.93 4.98 2.00 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 1.33 1.00 0.92 0.00 0.00 128 F 9.28 5.24 0.00 2.98 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 0.00 129 V 8.47 4.95 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 0.99 0.00 0.00 0.92 0.00 0.00 130 S 8.99 4.17 0.00 4.04 3.88 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 0.00 131 D 9.13 4.45 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.88 4.28 0.00 2.83 2.87 0.00 0.00 7.30 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.14 4.07 0.00 2.05 1.86 1.15 1.09 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 0.00 134 V 7.90 3.61 2.30 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 1.06 0.00 0.00 1.04 0.00 0.00 135 E 8.08 4.08 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 136 K 7.96 4.19 0.00 1.72 1.45 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.60 7.81 137 H 8.73 5.04 0.00 3.33 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.62 4.92 0.00 4.03 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 0.00 139 I 8.62 4.79 1.90 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 1.10 0.92 0.96 0.00 0.00 140 E 8.79 5.06 0.00 1.98 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 2.20 2.31 0.00 141 L 8.20 4.84 0.00 1.57 1.55 0.90 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.04 4.47 0.00 2.10 1.86 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 2.52 2.42 0.00 143 V 8.08 3.75 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 0.93 0.00 0.00 0.94 0.00 0.00 144 N 8.01 4.39 0.00 2.81 2.87 0.00 0.00 6.93 7.66 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 0.00 145 E 8.10 4.00 0.00 2.00 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 2.32 2.41 0.00 146 R 7.47 4.11 0.00 1.80 1.98 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 147 D 8.19 4.55 0.00 2.68 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 0.00 148 L 7.32 4.26 0.00 1.78 1.74 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.93 4.74 1.84 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 1.29 0.58 0.88 0.00 0.00 150 N 8.35 4.59 0.00 2.67 2.67 0.00 0.00 6.99 7.56 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 * Residues marked with a * may have inaccurate shift predictions.