NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3600 8.1844 120.6300 54.7792 43.5465 176.8580 4 T 4.4729 7.7460 110.2109 60.3320 68.2897 173.2656 5 D 4.3612 8.9638 122.3791 58.2633 41.6666 177.5862 6 Q 3.9522 8.0474 117.4488 59.2123 28.8665 179.2693 7 K 3.8748 8.0587 118.5267 59.6401 32.1663 178.8250 8 R 3.6196 7.6902 118.2261 59.4856 29.9837 177.8437 9 E 3.9307 7.6252 116.9887 59.5843 29.6526 178.8170 10 S 4.1714 8.3258 113.3468 61.2940 62.3928 175.9637 11 I 3.8953 7.8956 115.3811 63.1908 37.5793 178.3299 12 V 3.5330 7.8504 120.5089 65.7413 31.2561 178.0307 13 Q 3.8882 8.6797 118.0307 58.7791 28.5292 178.0818 14 A 3.8610 7.9509 121.5219 55.5287 18.2845 179.5420 15 A 3.2308 7.7305 118.5105 54.9421 18.3046 179.9055 16 I 3.6341 7.8086 118.1329 64.4261 37.2932 178.4939 17 A 3.9479 8.1398 121.8158 55.1698 18.2074 179.6406 18 E 3.8144 8.3343 117.3639 59.5139 29.5587 179.1773 19 F 4.8420 7.5186 119.6776 60.2056 38.8323 177.8634 20 G 3.8244 8.0747 103.4661 48.2405 0.0000 175.0685 21 D 4.5152 7.8959 119.4983 56.6075 41.1692 178.2209 22 R 4.5445 8.2842 115.2430 54.7905 31.3569 177.3293 23 G 4.1141 8.1580 105.3586 45.1558 0.0000 174.8488 24 F 3.4475 8.6662 120.8519 61.0286 39.7071 177.4624 25 E 3.7714 8.3113 118.3885 59.4237 29.4403 178.2345 26 I 3.8327 7.6293 116.9211 63.4957 38.4023 176.0106 27 T 4.2169 7.3683 117.9446 63.3885 69.8065 173.5773 28 S 4.5914 8.0253 119.7792 58.4572 62.8451 176.2538 *30 D 4.5818 8.6230 118.6811 52.5111 41.0446 177.1843 31 R 3.8630 7.5982 120.6935 59.6174 30.0613 178.1802 32 I 3.4863 7.5568 119.3812 64.2854 36.9913 178.0718 33 A 3.9402 8.0190 120.8566 55.1670 18.0980 179.4995 34 A 3.8620 7.8230 118.5567 55.4580 18.3522 179.9614 35 R 3.8229 7.6882 115.3964 59.0150 30.2099 177.7233 36 A 4.2180 7.9918 118.3620 51.3983 19.2364 176.6321 37 E 3.7535 7.9733 115.5663 57.5600 27.4773 174.6690 38 V 4.5431 7.7973 109.6080 58.5005 35.9165 176.5872 39 S 4.2885 8.3838 115.3676 58.3583 64.1185 175.1799 40 K 4.0554 8.5882 126.5659 59.7744 32.0383 179.4250 41 R 4.1084 8.0636 117.9260 59.3379 28.7605 178.8873 42 T 3.9224 7.8443 115.4237 66.5894 68.3854 176.6556 43 V 3.8670 7.7963 119.7526 66.1913 31.7580 177.5400 44 Y 4.1697 8.4743 116.1902 59.6345 37.5762 176.5719 45 N 4.8758 8.0508 116.3059 53.3856 38.1738 176.0674 46 H 4.6447 7.4520 115.9308 56.9329 30.4722 175.6769 47 F 4.9953 8.1076 123.6051 53.6411 38.6637 174.1890 48 P 4.9626 0.0000 0.0000 64.2279 31.9224 176.5280 49 S 4.8668 8.0346 110.6932 55.6831 66.1806 175.5057 50 K 4.1355 8.7597 120.8350 59.6721 31.7412 179.4687 51 E 4.2655 8.3590 118.6151 59.2582 29.2660 178.6180 52 E 4.2745 8.2892 119.2948 58.7483 29.5788 178.9183 53 L 3.5522 7.6218 118.2361 57.6235 41.5131 178.9606 54 F 3.7689 8.1238 118.8067 61.0698 39.5150 176.4502 55 A 3.4173 7.8599 120.1804 54.7776 18.3392 179.7864 56 E 3.9252 7.7184 117.8892 56.2649 29.9577 178.8976 *58 L 3.2419 7.8882 118.1352 54.1882 43.9010 178.8986 59 Q 3.9506 7.2851 118.8944 59.4909 28.5394 179.0774 60 R 3.8693 7.4207 117.0341 59.3638 30.4859 178.3045 61 L 3.9609 7.6179 119.3199 58.1888 41.8878 178.9884 62 W 4.5356 8.4654 119.1647 59.8170 28.7817 178.2002 63 N 4.4932 8.1823 115.4302 56.1201 37.9817 176.6430 64 C 4.3586 7.7599 116.4862 60.5235 28.6669 173.5384 65 A 4.4340 7.5923 123.9141 50.8691 21.2589 174.2912 *70 E 4.2416 9.0002 121.9402 55.3061 30.0921 178.6578 71 V 3.4834 9.2974 110.0984 62.4400 31.3645 173.2929 72 V 4.0399 7.4640 118.4003 61.0515 32.1342 175.2426 73 Y 4.3698 8.5236 123.1403 57.4389 38.9798 175.1348 74 R 4.2239 8.6218 127.1591 53.5135 30.4512 175.1905 75 P 4.1191 0.0000 0.0000 64.9629 31.5062 177.3755 76 L 4.3204 7.5977 116.5290 54.8745 41.9717 175.8717 77 V 4.5364 6.9489 111.1263 58.5861 35.3366 175.3696 78 S 4.3857 8.8952 115.7272 58.3851 63.5804 175.6702 79 L 4.3132 8.7130 121.9447 58.0341 41.3931 179.6881 80 R 3.8961 8.1849 118.0964 59.8468 30.2432 177.8238 81 E 3.9201 8.0732 118.0830 60.0664 29.6450 179.8085 82 Q 4.0458 7.9536 116.7404 58.9480 28.9126 177.8141 83 L 3.3945 7.8891 122.0061 56.8658 42.0647 178.4911 84 L 3.8994 8.4684 121.0931 57.9614 42.0520 178.4045 85 E 3.9680 8.0002 118.8742 59.2262 29.4461 178.8737 86 L 3.8159 7.4856 118.4807 57.7182 41.4179 179.2559 87 L 3.8394 7.1476 117.3165 57.8785 41.6417 179.5631 88 W 4.3152 8.1462 117.4967 59.3302 28.7236 178.6382 89 G 3.8762 8.3475 105.9380 47.5782 0.0000 176.8391 90 K 3.8497 8.1222 120.3543 56.6851 32.2192 178.5185 *92 R 4.3858 8.0036 118.6718 55.8768 32.3688 177.8108 93 N 4.0741 7.6662 114.2199 56.0637 38.1143 177.3652 94 L 4.1485 7.2552 118.8335 57.4253 41.6415 178.7619 95 T 4.7641 7.1216 112.5672 62.1117 69.2879 173.6656 96 D 4.8528 7.6959 122.5004 52.2077 42.2264 176.7862 97 S 4.1443 8.7984 123.4240 61.8452 62.7456 176.5578 98 S 4.1294 8.2400 118.0957 61.2620 62.5823 176.2711 99 F 4.0325 8.0977 122.7799 61.3752 39.3436 177.0254 100 L 3.8794 8.3875 118.8543 57.7131 41.3283 179.3441 101 D 4.2062 8.0980 118.8044 57.2870 40.7111 178.4358 102 L 3.7956 7.8090 120.4632 58.1874 41.9797 178.8866 103 A 3.7317 8.0154 120.9411 54.8622 18.1156 179.6598 104 R 3.6571 8.1107 117.5986 59.5356 30.1635 179.0094 105 V 3.5733 7.7278 112.2431 64.4592 31.6311 178.7321 106 V 3.4625 7.3324 117.5427 65.9696 31.2909 178.1444 107 V 3.8471 7.9495 118.2026 66.1303 31.3800 178.2820 108 G 3.4742 8.4533 105.5264 47.5124 0.0000 175.4161 109 A 4.0214 8.2000 122.8497 54.1769 18.0765 179.1462 110 T 4.0412 7.1454 106.0927 63.3450 69.6498 177.0677 111 I 3.8648 7.3008 115.1831 64.3786 37.8628 177.8714 112 H 4.6595 8.0055 116.5938 56.5416 29.4007 175.5212 113 S 4.5140 7.3692 114.8284 54.1463 62.9006 171.7815 114 P 4.2352 0.0000 0.0000 65.9386 30.5495 177.9451 115 E 4.0017 8.1290 115.9631 58.6649 29.9457 178.3990 116 R 4.3350 7.9369 115.7354 57.4377 29.8399 178.3926 117 A 4.0171 7.8373 122.0227 55.4972 18.1989 179.0914 118 Q 4.0479 7.6876 116.1112 59.3430 28.9636 178.8499 119 V 3.8141 7.0497 119.0031 63.2266 32.0038 177.1640 120 W 4.9795 7.9141 118.0383 55.5373 30.5607 175.6438 121 L 4.7143 7.5388 118.6779 54.0884 42.1466 175.4620 *128 E 4.0306 8.6797 122.2538 56.1522 31.4345 177.1525 129 E 3.9530 8.1232 118.3264 59.4236 29.3292 178.5384 130 T 4.0181 8.0249 115.5494 67.1746 68.5991 175.9996 131 F 4.4473 8.4760 119.3038 60.3702 38.8780 178.0648 132 S 4.3369 8.1811 113.5064 61.1899 63.0837 176.2749 133 A 4.0205 8.3545 124.5516 54.6100 18.1549 179.3355 134 W 4.0300 8.2460 126.6776 60.5840 30.7448 178.3910 135 I 3.8077 8.2321 120.1254 64.4038 36.6397 178.6614 136 R 3.8853 8.2300 116.6845 58.8440 29.2207 178.8028 137 A 3.6482 7.7164 121.6516 54.8091 18.3013 179.4055 138 A 2.7519 6.7216 119.1570 54.8164 18.2352 179.9923 139 Q 3.9377 7.8253 116.5693 58.9159 28.5740 178.7407 140 K 3.8159 7.6378 118.3904 59.5764 32.2675 178.2788 141 D 4.5401 7.7001 114.4858 54.6385 41.0982 176.7403 142 G 3.8818 7.7291 106.2203 46.5706 0.0000 174.3462 143 R 4.6617 8.0211 118.1687 56.0550 31.6786 175.9666 144 L 5.2816 7.5617 118.0907 52.2621 45.0647 176.7184 145 K 4.1838 9.1206 122.9732 55.5705 32.9568 175.2885 146 P 4.2974 0.0000 0.0000 63.0576 31.5814 176.0567 147 V 4.3328 7.7889 120.5019 58.9557 33.9933 173.3017 148 D 4.3725 8.4919 120.7799 53.9215 41.8074 174.9821 149 P 4.4057 0.0000 0.0000 65.9045 31.4357 178.4730 150 G 3.8771 8.0587 104.4578 48.1108 0.0000 175.3436 151 F 4.2454 8.3412 121.9001 60.8596 39.4175 177.1489 152 A 4.3866 8.3577 119.2918 54.6311 18.3313 179.2530 153 A 4.2087 8.3935 119.4702 55.7237 18.8132 179.3501 154 T 4.3974 7.8199 115.6505 66.1999 68.0518 176.7796 155 Q 4.0832 7.7628 118.6163 56.6709 28.9468 178.0438 *157 H 4.6397 8.2305 118.8286 55.8705 30.9527 175.6695 158 A 3.8738 8.0519 120.9330 55.2309 17.8496 179.3348 159 L 4.3252 7.6756 114.7123 56.5312 42.1224 178.3835 160 L 4.5922 7.6053 118.1224 56.5719 42.8915 178.6304 161 K 4.0646 8.8730 119.3286 59.4070 31.7397 179.4679 162 S 4.3359 8.2300 113.5808 60.7489 62.7609 175.5690 163 F 4.7964 8.1639 119.4639 57.8167 40.3165 176.0270 164 A 4.8439 7.8918 115.5713 50.2877 20.3472 174.8152 165 F 4.5267 8.1290 116.4844 58.8500 42.1587 176.8559 166 W 4.5166 8.0884 119.3028 59.8080 29.0712 176.6519 167 P 3.2182 0.0000 0.0000 65.4240 30.1561 178.5784 168 Q 3.8896 7.5585 116.0880 58.2803 28.6363 178.2216 169 V 3.5227 7.1731 118.5859 65.2328 31.7121 177.5740 170 T 4.4045 7.9577 108.9046 62.9479 69.1498 175.2652 171 F 4.9808 7.6099 117.3831 57.1150 38.2588 174.0232 172 N 4.1211 8.7299 113.3869 53.5205 36.3069 174.7815 173 A 4.1531 6.8815 117.5819 51.8383 19.1191 178.3892 174 A 4.0945 8.4301 122.9371 51.8608 19.0389 177.8212 175 L 4.0145 8.4859 121.4892 54.8026 42.4177 177.6367 176 L 4.3380 8.2350 121.1217 54.8645 42.4591 177.9700 177 T 4.2481 9.3362 112.8297 60.6414 70.9959 173.9510 178 P 4.3277 0.0000 0.0000 66.2135 31.3729 178.6402 179 Q 4.0410 8.1472 115.7980 59.3806 28.8155 179.0018 180 E 3.9572 8.2109 119.2214 59.2828 29.4204 179.6202 181 Q 3.8685 8.5837 118.9521 58.7994 29.0233 178.4328 182 S 4.3963 8.3431 114.3434 60.5174 63.3860 176.1262 183 N 4.3536 8.2655 120.9632 56.2544 38.3003 177.6032 184 V 3.3768 7.4170 113.3467 63.6700 31.5071 178.8057 185 V 3.2842 7.4599 118.1378 65.9109 31.3167 177.5503 186 E 3.9367 7.8460 117.8611 59.8047 29.1651 179.7014 187 S 4.0558 7.7994 111.0635 61.1740 62.5577 175.4310 188 A 4.2293 7.7834 122.3402 55.2851 18.3637 179.1670 189 L 4.2117 8.0202 117.2709 58.1608 41.6604 179.9847 190 N 4.5894 8.0974 111.8673 54.4701 38.0627 176.4515 *192 F 4.7712 7.9123 124.4641 58.3876 41.3974 177.1140 193 L 4.2765 8.6583 120.5664 57.4467 41.2405 179.3543 194 G 4.0507 8.2266 105.4573 47.9025 0.0000 175.1766 195 W 4.3449 7.9956 129.3854 59.7267 31.2468 176.4803 196 Y 4.1097 7.8006 115.8392 59.1845 38.1467 175.2210 197 E 4.5119 8.1148 121.3612 56.1897 30.4581 176.6690 198 I 4.2046 8.9123 129.3264 59.1886 37.7805 174.1145 199 P 4.5140 0.0000 0.0000 62.6147 30.8688 176.7918 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 3 L 8.18 4.36 0.00 1.64 1.77 0.92 0.47 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 4 T 7.75 4.47 4.29 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 1.23 0.00 0.00 5 D 8.96 4.36 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 6 Q 8.05 3.95 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 7 K 8.06 3.87 0.00 1.83 1.91 0.00 1.93 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 8 R 7.69 3.62 0.00 1.63 1.84 0.00 3.03 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 9 E 7.63 3.93 0.00 2.09 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 0.00 2.31 2.37 0.00 10 S 8.33 4.17 0.00 4.05 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.90 3.90 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.97 0.00 0.00 12 V 7.85 3.53 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 1.15 0.00 0.00 1.22 0.00 0.00 13 Q 8.68 3.89 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.49 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 14 A 7.95 3.86 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 15 A 7.73 3.23 0.82 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 0.00 0.00 16 I 7.81 3.63 1.95 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 1.42 0.76 0.88 0.00 0.00 17 A 8.14 3.95 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 18 E 8.33 3.81 0.00 1.63 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 2.32 2.32 0.00 19 F 7.52 4.84 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.07 3.82 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 0.00 0.00 0.00 21 D 7.90 4.52 0.00 2.86 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 22 R 8.28 4.54 0.00 1.79 1.95 0.00 3.15 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 23 G 8.16 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 0.00 0.00 0.00 24 F 8.67 3.45 0.00 2.73 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 25 E 8.31 3.77 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 26 I 7.63 3.83 1.87 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 1.41 0.74 1.04 0.00 0.00 27 T 7.37 4.22 4.61 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 1.02 0.00 0.00 28 S 8.03 4.59 0.00 3.96 3.35 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 *30 D 8.62 4.58 0.00 2.97 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 31 R 7.60 3.86 0.00 1.76 2.15 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 32 I 7.56 3.49 1.66 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.09 0.69 0.00 0.00 33 A 8.02 3.94 1.41 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 34 A 7.82 3.86 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 35 R 7.69 3.82 0.00 1.88 1.88 0.00 3.26 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 36 A 7.99 4.22 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 37 E 7.97 3.75 0.00 2.16 2.05 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 2.23 2.24 0.00 38 V 7.80 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.94 0.00 0.00 39 S 8.38 4.29 0.00 3.90 3.76 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 40 K 8.59 4.06 0.00 1.93 1.89 0.00 1.87 0.00 0.00 1.97 0.00 0.00 3.38 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.91 1.66 7.81 41 R 8.06 4.11 0.00 1.94 2.01 0.00 3.20 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 42 T 7.84 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 43 V 7.80 3.87 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 1.01 0.00 0.00 0.92 0.00 0.00 44 Y 8.47 4.17 0.00 3.33 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 45 N 8.05 4.88 0.00 2.88 2.96 0.00 0.00 6.92 7.97 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 46 H 7.45 4.64 0.00 3.27 3.15 0.00 5.60 0.00 0.00 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4.02 1.44 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 0.00 0.00 134 W 8.25 4.03 0.00 3.56 3.37 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 0.00 0.00 0.00 135 I 8.23 3.81 2.21 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.07 0.96 0.00 0.00 136 R 8.23 3.89 0.00 1.98 2.16 0.00 2.76 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 137 A 7.72 3.65 0.95 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 0.00 138 A 6.72 2.75 0.67 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 0.00 0.00 139 Q 7.83 3.94 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 140 K 7.64 3.82 0.00 1.79 1.78 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 7.70 4.54 0.00 2.68 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 0.00 142 G 7.73 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 0.00 0.00 0.00 143 R 8.02 4.66 0.00 1.76 2.01 0.00 3.34 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 144 L 7.56 5.28 0.00 1.42 1.52 1.16 1.18 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 0.00 145 K 9.12 4.18 0.00 1.57 1.67 0.00 1.20 0.00 0.00 1.22 0.00 0.00 2.53 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.30 1.34 7.81 146 P 0.00 4.30 0.00 2.15 2.05 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 147 V 7.79 4.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 1.06 0.00 0.00 148 D 8.49 4.37 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 0.00 149 P 0.00 4.41 0.00 2.25 2.30 0.00 3.70 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 150 G 8.06 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 0.00 0.00 0.00 151 F 8.34 4.25 0.00 3.26 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 0.00 152 A 8.36 4.39 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 0.00 153 A 8.39 4.21 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.82 4.40 4.29 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 1.17 0.00 0.00 155 Q 7.76 4.08 0.00 2.44 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.39 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 *157 H 8.23 4.64 0.00 3.38 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.05 3.87 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 0.00 159 L 7.68 4.33 0.00 1.77 1.87 1.08 1.05 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 0.00 160 L 7.61 4.59 0.00 1.84 1.67 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.87 4.06 0.00 1.94 1.80 0.00 1.33 0.00 0.00 1.61 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.37 7.81 162 S 8.23 4.34 0.00 3.81 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 0.00 163 F 8.16 4.80 0.00 3.23 3.08 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 0.00 164 A 7.89 4.84 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 0.00 165 F 8.13 4.53 0.00 2.88 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 W 8.09 4.52 0.00 3.48 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 0.00 167 P 0.00 3.22 0.00 1.97 1.91 0.00 3.59 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 168 Q 7.56 3.89 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 169 V 7.17 3.52 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.03 0.00 0.00 170 T 7.96 4.40 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 171 F 7.61 4.98 0.00 3.19 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 0.00 172 N 8.73 4.12 0.00 2.82 2.90 0.00 0.00 7.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 6.88 4.15 1.10 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 0.00 0.00 174 A 8.43 4.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.49 4.01 0.00 1.63 1.68 0.92 1.08 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 0.00 176 L 8.23 4.34 0.00 1.64 1.60 0.88 1.04 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 0.00 177 T 9.34 4.25 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 1.26 0.00 0.00 178 P 0.00 4.33 0.00 2.21 2.23 0.00 3.64 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 2.15 2.25 0.00 179 Q 8.15 4.04 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 180 E 8.21 3.96 0.00 2.32 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 2.32 2.35 0.00 181 Q 8.58 3.87 0.00 2.38 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 182 S 8.34 4.40 0.00 4.61 4.64 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.35 0.00 2.68 2.80 0.00 0.00 6.85 7.30 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 0.00 184 V 7.42 3.38 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 0.23 0.00 0.00 0.77 0.00 0.00 185 V 7.46 3.28 1.53 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 0.64 0.00 0.00 0.07 0.00 0.00 186 E 7.85 3.94 0.00 2.03 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 2.65 2.52 0.00 187 S 7.80 4.06 0.00 3.98 3.84 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 0.00 188 A 7.78 4.23 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 0.00 189 L 8.02 4.21 0.00 2.01 1.78 0.94 0.51 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 0.00 190 N 8.10 4.59 0.00 2.98 2.88 0.00 0.00 6.70 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 *192 F 7.91 4.77 0.00 3.37 3.29 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 0.00 193 L 8.66 4.28 0.00 1.98 1.83 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.23 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 0.00 195 W 8.00 4.34 0.00 3.13 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 0.00 196 Y 7.80 4.11 0.00 2.62 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 0.00 197 E 8.11 4.51 0.00 2.13 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 2.37 2.49 0.00 198 I 8.91 4.20 2.01 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 1.16 0.65 0.88 0.00 0.00 199 P 0.00 4.51 0.00 1.94 1.98 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.