NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4858 8.3301 117.1012 57.6631 64.4964 173.3740 11 A 4.6701 7.8733 121.8640 52.4196 19.6663 173.9795 12 D 4.9122 8.4684 119.2942 54.0645 44.4997 175.1490 13 G 4.0647 8.2953 113.7599 44.4101 0.0000 172.5540 14 L 3.7802 8.0706 119.0976 58.2313 41.8632 179.4967 15 L 3.9766 7.7733 117.6929 57.8926 41.7982 179.5546 16 A 4.0060 7.9309 120.0996 55.1750 18.2307 179.5041 17 S 4.1267 8.1170 112.5799 61.8933 63.3287 176.6031 18 A 3.7326 8.2003 123.2796 55.1246 17.8589 179.9671 19 R 3.8732 7.7664 115.1839 58.9859 30.1576 178.7363 20 A 4.1175 7.7245 119.6568 53.0960 18.7685 177.4652 21 I 4.2036 6.8511 118.0778 60.1070 38.3313 175.4667 22 K 4.7241 8.2740 123.5503 54.7567 35.2978 175.6751 23 S 4.6624 8.2429 114.3775 57.5376 65.4500 174.2494 24 K 4.4144 9.0545 121.1089 55.2234 32.5317 176.2371 25 G 3.9144 6.7587 106.5261 45.0387 0.0000 170.3676 26 P 4.4739 0.0000 0.0000 62.1448 31.7433 176.6023 27 A 4.2571 8.6295 127.1487 51.2717 19.7617 176.4532 28 P 4.4175 0.0000 0.0000 62.2844 30.0847 178.1842 29 V 3.0043 7.0448 113.1441 64.7686 32.2077 178.1049 30 H 4.4399 7.7675 114.5647 56.4811 28.6221 175.8609 31 L 4.1783 7.3074 119.6669 55.3309 41.8934 176.7472 32 W 5.0637 7.6503 118.7283 55.0740 31.7013 175.8762 33 N 5.1088 8.6002 119.9890 51.3914 38.4526 171.6881 34 P 4.7333 0.0000 0.0000 61.5434 33.1575 176.1510 35 P 4.5419 0.0000 0.0000 62.6639 32.3656 175.5036 36 F 4.5648 8.7627 123.7307 57.7230 39.9265 174.7781 37 N 4.6745 8.5175 124.7119 53.2443 39.3155 175.1946 38 G 3.6195 5.8130 104.7099 44.5695 0.0000 172.9409 39 D 5.0927 8.4957 118.2861 53.5439 41.7912 176.2838 40 I 4.3781 7.8792 116.8301 59.4052 40.5561 174.7042 41 D 4.4244 8.3363 122.7275 53.3257 42.2015 174.9258 *43 R 4.3117 8.4037 126.1136 56.2612 31.9581 174.1174 44 I 4.3820 8.0556 127.4632 59.7085 38.1354 175.8134 45 A 4.6605 8.9717 130.8754 50.7483 19.1838 178.2029 46 R 3.8918 8.4030 119.4603 59.4811 30.1206 176.9222 47 D 4.5526 8.0721 114.4634 53.5000 39.5748 177.0115 48 G 3.9596 8.0593 109.3883 45.5665 0.0000 174.3487 49 T 4.2623 8.4638 117.5945 63.5559 69.8878 173.3623 50 W 5.2615 9.0212 125.2586 55.3835 31.4026 174.9272 51 F 5.3470 9.4837 123.9059 55.8323 40.9045 174.1232 52 Y 4.9182 9.0758 125.2012 56.4220 41.1773 175.5731 53 Q 3.9065 9.0195 125.3500 55.7764 27.0245 175.1178 54 G 4.0246 8.5708 104.3962 45.7403 0.0000 174.0378 55 T 4.6370 7.9369 117.9674 60.7741 70.0736 172.7983 56 P 4.0332 0.0000 0.0000 62.5756 31.8510 176.3874 57 I 4.3457 7.8717 120.6875 59.8268 37.8716 175.1457 58 N 4.7098 8.2638 123.4602 51.7561 35.7396 175.1436 59 R 4.6362 7.5119 119.9941 53.7778 32.4259 173.8407 60 P 4.3476 0.0000 0.0000 65.3211 32.0744 178.9721 61 A 3.9222 7.3690 115.8695 53.2673 17.9386 178.9601 *63 V 3.2363 7.8271 120.1810 63.8666 33.3783 177.9018 64 R 3.8255 8.1156 119.1186 58.9901 29.5392 178.8338 65 L 3.8069 7.4188 119.0130 58.2920 42.4306 178.8149 66 F 4.5857 7.6450 117.2152 60.6959 38.9541 177.5921 67 S 4.5903 8.3857 115.3475 61.7970 62.5640 176.7807 68 S 4.4936 8.1950 116.2130 60.0862 62.6402 175.1827 69 I 4.9093 7.7226 116.0200 60.5905 38.6731 175.4193 70 L 4.8168 8.0034 122.2339 55.5698 42.2716 176.6379 71 K 4.7025 9.4226 123.5981 54.8571 35.9459 174.5751 72 R 4.8617 8.8013 127.2428 54.8424 31.9008 175.1970 73 E 4.6203 8.5405 124.9375 55.4798 33.8135 176.0991 74 E 3.6132 8.6717 124.8101 58.0110 28.3438 175.0246 75 D 4.6434 8.9823 124.9500 54.7842 41.4570 175.4263 76 R 4.3793 7.6339 119.1528 54.4204 32.5764 174.8512 77 F 5.4074 7.8402 116.5487 56.1209 42.8118 173.9438 78 Y 5.3297 9.3629 119.4958 56.3627 43.0594 173.9454 79 L 5.2799 9.0905 120.9039 53.3125 44.0218 176.0517 80 V 5.0981 9.0994 124.2573 61.4646 32.7148 174.9639 81 T 4.5196 8.8241 118.0095 58.8722 71.1923 173.4467 82 P 3.8068 0.0000 0.0000 64.6317 31.2185 178.0947 83 V 4.0642 6.7681 108.6493 61.8637 32.7833 175.4738 84 E 4.7858 8.0197 119.4467 54.4500 33.7730 174.1743 85 K 5.1042 8.7663 124.2899 55.1432 35.6778 175.3049 86 V 4.7542 8.9075 120.3786 59.3950 35.7570 175.0126 87 G 4.5684 9.2982 111.3101 44.8822 0.0000 172.8124 88 I 4.9592 8.1972 116.7059 58.7036 41.0963 174.9486 89 R 4.2942 8.1943 121.9309 55.4829 31.6513 175.5660 90 V 4.1945 7.9990 122.8907 61.0270 33.4057 174.9757 91 D 4.1298 8.7371 128.6324 58.5670 41.5472 177.3383 92 D 4.7207 8.2593 113.4145 53.7188 43.9088 174.9970 93 A 4.7407 8.5155 117.7740 49.3701 22.2807 176.2465 94 P 3.9358 0.0000 0.0000 64.5235 31.8214 176.1601 95 F 5.4491 7.7572 117.0645 55.6693 43.8065 173.8115 96 V 4.8753 8.4968 119.1964 61.0801 34.5920 174.1116 97 A 4.8525 9.2683 130.4959 51.8953 18.9231 177.8718 98 V 4.4119 8.7042 115.5500 61.2860 33.2551 175.8770 99 D 5.0178 7.9842 119.5590 52.5945 45.0326 174.0823 100 V 4.7487 8.2246 122.0034 60.0218 34.4636 174.1944 101 E 4.7424 9.1804 123.0454 54.5036 32.7802 174.9104 102 V 4.8745 8.3001 121.4824 61.1334 34.1155 174.4686 103 A 4.6932 8.6219 128.1355 51.0941 22.7707 176.4099 104 G 4.1548 8.8982 106.6936 45.4250 0.0000 172.9073 105 Q 4.7017 8.1563 116.8202 54.4107 32.5347 179.1020 106 G 3.7589 8.1258 109.4641 46.9992 0.0000 177.4181 107 R 2.9837 8.3401 123.4668 57.2197 29.8305 176.7547 108 K 4.4291 7.5267 117.0241 56.0346 32.3731 176.5220 109 Q 4.5130 7.6956 118.3363 56.1045 30.4656 174.9971 110 V 4.7582 9.1395 120.4700 61.2553 34.9119 174.0025 111 L 4.9652 8.9430 128.3715 53.6494 43.6440 175.5056 112 T 5.0133 8.5514 121.4095 61.9192 70.7690 173.9043 113 F 5.1671 9.3343 125.7095 56.4513 41.9707 174.9711 114 T 5.1738 8.6707 117.3949 62.0925 71.6307 174.2904 115 T 4.9325 8.8771 117.2287 60.7804 70.5020 175.6557 116 H 4.2275 9.1223 117.6879 58.1884 28.5880 176.7116 117 V 3.8699 7.6787 111.6626 61.1439 31.5438 176.6121 118 G 3.9062 8.2863 108.8900 45.2580 0.0000 173.8423 119 D 4.5467 7.7912 119.7668 53.7667 41.7191 174.9346 120 S 5.3382 8.2940 115.2770 56.6638 64.9211 173.3350 121 A 4.5896 9.0271 127.5206 50.2733 22.0460 175.2319 122 V 4.3224 8.5682 123.1404 62.6119 32.2084 175.7161 123 A 4.3479 9.4136 131.3321 51.4836 19.2184 177.4418 124 G 4.0724 7.9613 107.5322 45.9856 0.0000 172.6354 125 E 4.0949 9.2369 119.4184 59.3609 29.6193 179.2525 126 G 3.7911 8.1082 106.1476 47.7915 0.0000 173.1168 127 N 5.1594 7.7247 117.5355 50.5916 38.9386 172.4328 128 P 4.1968 0.0000 0.0000 62.4150 33.6781 175.8999 129 I 4.6530 6.4913 121.5084 59.8808 38.5962 175.4414 130 R 4.4937 8.7031 124.7674 55.1701 32.8583 173.8023 *132 A 4.4574 8.6659 121.3801 52.8250 20.5686 177.1059 133 Q 4.5951 8.4905 119.2948 54.8668 30.1047 175.1224 134 D 4.4489 8.3998 118.1086 54.2493 41.9295 174.7561 135 P 4.0560 0.0000 0.0000 66.1387 31.0576 177.1824 136 A 3.9949 7.3316 123.5519 55.4121 19.1883 179.1719 137 T 3.8649 9.0012 108.9649 61.1008 69.2359 178.7447 138 G 3.9563 8.1689 108.8165 46.6247 0.0000 174.1464 139 E 4.2086 7.5180 117.7492 55.3540 30.9413 179.3703 140 P 4.5639 0.0000 0.0000 62.7432 32.0855 175.4034 141 A 4.3871 9.4470 127.4523 49.5277 20.6877 173.6703 142 P 4.9804 0.0000 0.0000 62.2108 34.0093 174.3424 143 Y 5.2930 9.1344 118.9811 56.2473 42.5525 174.6573 144 V 4.7305 8.5033 121.1017 59.9237 34.9085 174.1480 145 H 4.5900 8.6036 123.7306 56.5309 29.8537 174.6578 146 V 4.0190 8.7420 126.5044 63.7279 32.4118 175.9677 147 R 4.3180 7.8212 112.5582 56.3798 31.5520 173.9394 148 A 3.8237 9.8423 121.5808 53.4639 16.0936 178.0928 149 G 3.9914 8.5270 105.9478 46.5253 0.0000 173.7839 150 L 4.4959 8.5305 121.7620 53.9903 42.4177 175.9287 151 E 5.2393 8.7326 122.1182 54.5999 33.3957 174.4475 152 A 5.0467 8.8889 122.8175 49.8076 21.8695 175.6080 153 L 3.7325 8.6918 125.9255 55.2748 43.2683 176.1422 154 I 4.3203 8.2503 128.8369 60.8332 37.3990 175.9377 155 D 4.5233 9.0817 127.6253 52.8870 40.7766 177.6487 156 R 3.8876 8.6470 118.5328 59.2223 30.0321 178.3181 157 K 4.0897 8.0666 118.9571 59.8831 32.3986 178.7626 158 S 4.2201 8.5338 115.3854 61.5941 62.4893 176.5882 159 F 4.2840 8.1742 122.5244 61.6001 39.2262 176.5149 160 Y 4.3486 7.6045 114.9909 61.1360 37.6956 178.4624 161 R 4.1548 7.9151 118.2815 58.8033 30.6455 180.0659 162 L 4.2604 7.9151 121.1518 54.1984 40.8550 178.2332 *164 D 4.7639 7.8730 115.9639 53.9936 42.6211 176.1929 165 L 4.7637 9.0350 118.5931 54.2433 42.7093 176.6851 166 G 3.8341 8.0268 106.7850 46.1108 0.0000 172.3969 167 E 5.0356 8.9206 119.7951 55.1415 33.8799 173.3673 168 I 5.2305 8.4679 123.5875 59.6702 39.4484 175.3249 169 E 4.3795 8.8099 125.9286 55.7752 33.0913 175.5366 170 D 4.5239 9.9887 124.4231 55.4786 38.5002 174.5113 171 G 3.9910 8.2109 106.5780 44.8951 0.0000 172.3280 172 W 4.9188 8.2191 119.7064 54.6633 31.8639 174.2013 173 F 5.2178 8.8299 124.4798 57.8768 40.6707 174.9984 174 G 3.5261 8.1066 111.1323 46.0360 0.0000 171.3341 175 L 5.1596 7.5485 119.6517 52.6919 45.6719 176.1182 176 W 5.1063 9.0539 123.2680 56.2096 30.5056 176.0692 177 S 4.8624 9.7560 118.2580 58.5424 65.2395 174.2514 178 S 3.8392 9.7482 124.0732 59.8871 60.6321 173.5354 179 G 4.1152 8.7742 105.6044 45.8606 0.0000 173.9240 180 S 4.8826 8.3708 115.6796 56.4113 66.6148 172.6725 181 F 4.0695 7.8368 124.3453 56.1723 40.8648 174.8424 182 F 4.2444 7.7435 125.9663 54.8049 40.0983 173.4073 183 P 4.4105 0.0000 0.0000 62.5454 31.2918 176.5327 184 L 4.7556 9.0749 122.7482 55.3998 44.1895 177.0106 *186 T 3.3870 7.7185 107.9374 60.6027 69.9519 174.6289 187 V 3.5406 8.4272 123.2063 66.3866 31.5068 177.9215 188 E 3.8520 8.0554 118.1292 59.6563 28.9117 178.5605 189 E 3.9590 8.1746 118.3262 59.1955 29.2305 179.2353 190 L 3.8655 7.8609 119.6898 58.2012 42.2622 178.3857 191 E 4.0797 8.1919 117.7835 58.8826 29.5393 178.6944 192 R 4.3900 7.7162 112.3168 55.0255 30.2153 176.5751 193 G 4.2526 7.6602 113.4625 46.3424 0.0000 173.5561 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 10 S 8.33 4.49 0.00 3.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.87 4.67 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 12 D 8.47 4.91 0.00 2.63 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 13 G 8.30 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 0.00 0.00 0.00 0.00 14 L 8.07 3.78 0.00 0.53 1.24 0.57 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.77 3.98 0.00 1.76 1.70 0.89 0.98 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 16 A 7.93 4.01 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 17 S 8.12 4.13 0.00 4.28 4.18 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 18 A 8.20 3.73 1.06 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 0.00 0.00 19 R 7.77 3.87 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 20 A 7.72 4.12 1.37 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 0.00 0.00 21 I 6.85 4.20 1.85 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 1.33 0.79 0.89 0.00 0.00 22 K 8.27 4.72 0.00 1.66 1.66 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.41 7.81 23 S 8.24 4.66 0.00 3.98 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 24 K 9.05 4.41 0.00 1.76 1.85 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.41 7.81 25 G 6.76 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.47 0.00 2.07 2.05 0.00 3.69 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 2.03 2.08 0.00 27 A 8.63 4.26 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 28 P 0.00 4.42 0.00 1.85 2.06 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.92 0.00 29 V 7.04 3.00 2.08 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 1.02 0.00 0.00 0.91 0.00 0.00 30 H 7.77 4.44 0.00 3.07 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.31 4.18 0.00 0.99 1.64 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 W 7.65 5.06 0.00 3.54 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 33 N 8.60 5.11 0.00 2.70 2.74 0.00 0.00 7.13 8.02 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 34 P 0.00 4.73 0.00 2.20 2.25 0.00 3.92 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.35 0.00 35 P 0.00 4.54 0.00 2.13 2.12 0.00 3.91 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 36 F 8.76 4.56 0.00 3.00 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 37 N 8.52 4.67 0.00 2.41 2.68 0.00 0.00 7.34 7.23 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 38 G 5.81 3.62 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 0.00 0.00 0.00 39 D 8.50 5.09 0.00 2.78 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 40 I 7.88 4.38 1.96 0.00 0.00 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 1.23 0.60 0.92 0.00 0.00 41 D 8.34 4.42 0.00 2.63 2.31 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 *43 R 8.40 4.31 0.00 1.86 1.78 0.00 3.30 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 44 I 8.06 4.38 1.44 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.76 0.00 0.00 45 A 8.97 4.66 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 46 R 8.40 3.89 0.00 1.75 1.96 0.00 3.21 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 47 D 8.07 4.55 0.00 2.86 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 48 G 8.06 3.96 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 0.00 0.00 0.00 49 T 8.46 4.26 4.49 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 0.00 0.00 0.00 0.94 0.00 0.00 50 W 9.02 5.26 0.00 3.27 3.24 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 51 F 9.48 5.35 0.00 2.73 2.97 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 52 Y 9.08 4.92 0.00 3.06 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 53 Q 9.02 3.91 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 54 G 8.57 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.66 1.75 0.00 2.97 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 90 V 8.00 4.19 1.62 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 0.35 0.00 0.00 0.15 0.00 0.00 91 D 8.74 4.13 0.00 2.57 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 92 D 8.26 4.72 0.00 2.57 2.35 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 93 A 8.52 4.74 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.94 0.00 1.14 1.38 0.00 3.65 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 95 F 7.76 5.45 0.00 3.10 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 96 V 8.50 4.88 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 1.05 0.00 0.00 0.95 0.00 0.00 97 A 9.27 4.85 1.29 0.00 0.00 0.00 0.00 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 1.54 1.60 0.00 *132 A 8.67 4.46 1.43 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 0.00 0.00 0.00 133 Q 8.49 4.60 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.83 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 134 D 8.40 4.45 0.00 2.99 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 0.00 135 P 0.00 4.06 0.00 2.07 2.11 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 136 A 7.33 3.99 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 0.00 137 T 9.00 3.86 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 1.21 0.00 0.00 138 G 8.17 3.96 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 0.00 0.00 0.00 139 E 7.52 4.21 0.00 1.78 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 2.24 2.16 0.00 140 P 0.00 4.56 0.00 1.76 2.05 0.00 3.58 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 2.08 2.17 0.00 141 A 9.45 4.39 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 4.98 0.00 2.05 2.04 0.00 3.12 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.89 0.00 143 Y 9.13 5.29 0.00 2.81 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 0.00 144 V 8.50 4.73 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 0.26 0.00 0.00 0.65 0.00 0.00 145 H 8.60 4.59 0.00 3.18 3.09 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.74 4.02 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 0.69 0.00 0.00 0.93 0.00 0.00 147 R 7.82 4.32 0.00 2.00 1.95 0.00 3.21 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 148 A 9.84 3.82 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 0.00 149 G 8.53 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 0.00 150 L 8.53 4.50 0.00 1.99 1.78 1.17 1.22 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 0.00 151 E 8.73 5.24 0.00 1.94 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 2.34 2.32 0.00 152 A 8.89 5.05 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 0.00 153 L 8.69 3.73 0.00 1.77 1.50 0.08 0.85 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 0.00 154 I 8.25 4.32 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.42 1.11 0.00 0.00 155 D 9.08 4.52 0.00 2.72 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 0.00 156 R 8.65 3.89 0.00 1.91 2.04 0.00 3.18 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.59 0.00 157 K 8.07 4.09 0.00 1.95 1.86 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.61 7.81 158 S 8.53 4.22 0.00 4.27 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 0.00 159 F 8.17 4.28 0.00 2.97 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 7.60 4.35 0.00 3.25 2.93 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 0.00 0.00 0.00 161 R 7.92 4.15 0.00 1.99 2.01 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 162 L 7.92 4.26 0.00 1.80 1.69 1.25 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 *164 D 7.87 4.76 0.00 2.86 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 0.00 165 L 9.04 4.76 0.00 1.59 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.03 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.92 5.04 0.00 2.30 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 0.00 2.65 2.60 0.00 168 I 8.47 5.23 2.00 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 1.62 1.09 1.00 0.00 0.00 169 E 8.81 4.38 0.00 1.16 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 1.47 1.47 0.00 170 D 9.99 4.52 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 G 8.21 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 0.00 172 W 8.22 4.92 0.00 3.76 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 0.00 173 F 8.83 5.22 0.00 3.23 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.11 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.55 5.16 0.00 1.56 1.58 1.01 0.95 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 0.00 176 W 9.05 5.11 0.00 3.27 3.22 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 0.00 177 S 9.76 4.86 0.00 3.98 3.93 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 0.00 0.00 0.00 178 S 9.75 3.84 0.00 4.27 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 0.00 179 G 8.77 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.37 4.88 0.00 3.74 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 0.00 181 F 7.84 4.07 0.00 1.51 2.08 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 0.00 182 F 7.74 4.24 0.00 2.84 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 0.00 183 P 0.00 4.41 0.00 1.51 1.89 0.00 3.36 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.86 0.00 184 L 9.07 4.76 0.00 1.88 1.94 1.16 0.82 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 *186 T 7.72 3.39 3.73 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 0.18 0.00 0.00 187 V 8.43 3.54 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 1.09 0.00 0.00 1.00 0.00 0.00 188 E 8.06 3.85 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 189 E 8.17 3.96 0.00 2.17 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 0.00 2.32 2.26 0.00 190 L 7.86 3.87 0.00 1.48 1.83 0.37 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 191 E 8.19 4.08 0.00 2.11 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 0.00 2.33 2.44 0.00 192 R 7.72 4.39 0.00 1.98 2.01 0.00 3.19 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 193 G 7.66 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.