NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4427 8.3044 118.8153 54.7455 33.2973 178.3510 2 D 4.7136 8.0322 114.2619 54.0464 39.0354 173.3542 3 F 5.0045 8.8447 120.5307 57.4199 41.1337 175.5697 4 R 4.9269 9.1751 119.6230 54.6805 34.7551 174.1744 5 I 4.9744 8.4735 115.0178 59.2905 40.9191 174.4339 6 G 4.5134 9.0879 110.2070 44.7028 0.0000 171.3020 7 Q 5.1718 8.5476 117.4012 54.4557 32.5585 173.9812 8 G 4.4818 9.1557 106.8981 45.1143 0.0000 170.8329 9 Y 5.3772 8.4884 121.8270 56.0484 42.2305 173.5127 10 D 4.5814 8.1602 123.2555 53.3723 45.3950 174.1208 11 V 4.8126 7.7071 120.8204 60.8255 34.4388 173.2887 12 H 5.0142 8.9064 118.8755 54.0054 33.5522 173.0287 13 Q 4.6381 8.7201 119.3720 55.9643 30.2718 174.8655 14 L 5.0969 8.6137 124.5862 53.6935 43.6604 175.9729 15 V 4.6687 8.8147 119.4037 58.5662 36.0819 173.7363 16 P 4.5895 0.0000 0.0000 64.1047 31.6497 177.0806 17 G 3.9986 9.3834 110.5574 44.9328 0.0000 173.3918 18 R 4.8719 7.5211 118.1655 53.4205 33.8378 173.5149 19 P 4.7283 0.0000 0.0000 62.6200 33.6476 174.7277 20 L 4.7866 8.4179 122.9620 53.8246 43.2920 175.3323 21 I 5.0005 8.2631 127.2292 59.5323 39.8693 174.7487 22 I 4.7523 8.1797 126.0833 60.4341 40.2842 175.9807 23 G 3.6911 9.8763 113.4192 46.7023 0.0000 175.2277 24 G 3.8943 9.0900 107.1181 45.0978 0.0000 174.3903 25 V 4.1445 7.4006 120.6121 61.3584 32.7086 174.5430 26 T 4.7533 8.3994 124.2215 63.1721 69.1688 173.9714 27 I 4.4612 8.5786 128.5272 58.3107 39.2957 174.0121 28 P 4.4264 0.0000 0.0000 63.3477 31.5932 175.1879 29 Y 4.7827 8.3368 123.9847 57.4681 41.3059 175.0299 30 E 4.1560 7.7966 120.0894 57.5963 30.0538 177.3537 31 R 4.9043 7.0221 113.6669 55.8680 34.9092 174.0073 32 G 4.7559 9.1577 107.1173 44.5381 0.0000 171.5071 33 L 5.0069 7.9587 119.7190 54.0750 42.6580 176.8418 34 L 4.1387 8.1921 123.4460 54.1848 42.5434 174.4389 35 G 3.7554 8.8560 119.9158 46.3697 0.0000 173.2027 *38 D 4.3822 8.3237 122.4085 50.9352 41.7916 175.7283 39 A 3.4380 7.9616 121.0248 53.4844 16.0513 178.6538 40 D 4.7146 8.0779 122.1198 54.3405 40.1536 175.4988 41 V 4.0903 7.9546 128.0530 63.8119 31.4312 177.9967 42 L 3.8712 7.8043 120.2787 57.9261 42.0432 178.7657 43 L 4.0093 8.1102 118.9608 57.9597 41.4659 179.1987 44 H 4.2605 8.3336 115.9545 58.9521 28.7128 177.5972 45 A 4.0345 7.9447 122.3522 55.3046 18.2040 179.7257 46 I 3.6496 7.8163 118.2025 64.8168 37.1537 178.6909 47 T 3.7349 8.1220 116.6616 66.7954 68.2107 176.3379 48 D 4.5065 8.4194 120.4979 57.3796 40.8577 178.6570 49 A 4.2374 8.0891 122.5961 54.5634 18.4806 179.7677 50 L 3.8351 7.9735 117.3771 58.0091 41.7157 179.7218 51 F 4.5423 8.1502 117.9228 60.4154 38.8102 177.9189 52 G 3.6285 8.5628 105.4909 47.9049 0.0000 175.4815 53 A 4.2421 8.0992 123.4160 53.8992 18.4621 178.7312 54 A 3.1868 7.5892 115.3311 50.9897 19.6542 176.8909 55 A 3.7250 7.4992 119.9338 53.6259 16.6017 177.5229 56 L 4.6926 8.6203 115.8083 54.7466 43.5310 178.3702 57 G 3.9828 8.9208 110.0977 45.3610 0.0000 175.2762 58 D 4.8525 8.0347 125.6094 50.3741 42.6245 175.6565 59 I 3.9038 9.3702 119.1146 64.4377 37.5381 177.9639 60 G 3.7910 8.1086 104.8162 47.8176 0.0000 175.3962 61 R 3.9837 7.7288 119.3906 58.9118 30.0896 178.3579 62 H 4.1070 7.3402 114.7930 56.7230 29.9737 175.8895 63 F 5.0395 7.7441 119.8329 55.1415 39.0868 174.0052 64 S 4.3618 8.2455 121.1257 58.1959 63.3460 175.1390 65 D 4.4444 9.0742 128.4159 57.3875 39.5904 177.6608 66 T 4.1983 7.7885 110.4145 62.5794 68.9367 177.0130 67 D 4.4206 7.6221 120.6988 54.2535 41.2665 174.8347 68 P 4.2303 0.0000 0.0000 65.8611 31.4946 177.3391 69 R 4.0703 7.9991 116.4461 54.5966 28.0497 178.5876 *73 A 4.0430 8.1536 126.0819 51.1129 19.7268 177.0427 74 D 4.7157 8.2387 123.1533 52.7419 42.2694 177.5513 75 S 4.2317 8.9327 115.4632 61.2315 62.5364 177.3411 76 R 3.8825 8.2683 121.2865 58.9198 29.8285 178.5487 77 A 3.9199 8.1165 120.1289 55.1723 18.3074 179.5198 78 L 3.2539 7.5786 116.8914 57.5230 41.6570 179.3618 79 L 3.9006 8.0805 120.5374 58.3856 42.0015 179.3245 80 R 3.9252 8.1416 118.0270 59.2201 29.9758 178.7275 81 E 4.0162 8.3257 119.2182 59.1451 29.5651 178.1382 82 C 4.0050 8.6398 119.1128 62.6948 31.5537 175.6088 83 A 3.9484 8.0012 122.0538 55.1716 17.8518 179.5367 84 S 4.1429 8.1412 111.7020 61.6444 62.4520 176.6834 85 R 4.0297 8.2451 120.9110 59.0152 29.9248 179.2102 86 V 3.6702 8.3215 118.3751 65.9480 31.5477 177.7549 87 A 4.3888 8.5887 124.6834 55.5418 18.0231 180.3934 88 Q 4.0090 8.2722 117.4684 59.9301 28.2804 179.6901 89 A 4.4752 7.9450 119.5036 53.2460 18.6725 178.1429 90 G 3.7940 8.1515 105.7636 44.6995 0.0000 172.8491 91 F 5.1745 8.2599 118.5331 55.6271 41.5039 174.5242 92 A 4.8230 8.9827 125.2174 50.3198 21.2708 176.1125 93 I 4.1560 8.3889 122.8307 61.5709 37.5746 175.7757 94 R 4.6157 9.0527 126.0487 57.7266 31.7204 176.0924 95 N 4.9349 7.6070 113.1682 52.1559 40.6440 173.4393 96 V 4.9228 8.7614 119.4357 61.2659 35.0653 173.7536 97 D 5.4863 9.2562 125.7700 51.7547 45.2816 174.0444 98 S 5.1281 8.2158 115.7330 57.9209 66.7658 172.9660 99 T 5.0889 9.0642 116.8747 62.0741 72.7587 173.0137 100 I 4.7198 8.9369 127.3487 59.8770 39.6053 174.6679 101 I 4.9550 8.8333 128.3926 59.7710 38.9726 174.7461 102 A 4.7768 8.8403 129.2727 50.5421 22.0911 176.9419 103 Q 3.9485 9.0049 123.6975 58.7981 29.6103 175.6606 104 A 4.3965 7.2593 117.2604 50.4111 21.7665 173.8410 105 P 4.3935 0.0000 0.0000 61.6892 33.1799 176.3343 106 K 4.0614 8.3729 120.0091 55.0478 31.7793 172.8808 107 L 4.4888 8.4353 123.3769 54.6451 42.9797 178.4357 108 A 3.9551 8.2206 120.7977 55.0930 17.8525 177.7065 109 P 4.2282 0.0000 0.0000 64.9240 31.7339 177.4134 110 H 4.7543 8.0732 113.9223 55.7645 29.0887 176.9625 111 I 3.6917 7.4250 123.1193 64.6271 36.9985 177.9197 112 D 4.3217 8.1173 118.9281 57.1726 40.6289 178.6302 113 A 3.9847 7.9197 120.8768 55.3736 18.4228 179.3860 114 M 4.2926 7.9492 118.4967 58.1292 31.9909 179.1443 115 R 3.8818 8.2348 118.0983 59.2890 30.2473 179.0119 116 A 3.9990 8.1717 120.4839 55.1694 18.3347 179.4759 117 N 4.2783 8.2896 114.9926 56.4632 38.6087 177.7844 118 I 3.6600 7.9975 121.0803 64.2833 37.1780 178.2907 119 A 3.9542 8.3479 121.7610 55.0385 18.3214 179.3142 120 A 3.9244 7.9527 119.1858 55.7600 18.2793 179.7601 121 D 4.3675 8.1008 115.6196 56.7346 40.9352 178.0101 122 L 4.3680 7.8957 116.8383 53.2480 42.6281 175.6275 123 D 4.3604 7.6569 117.2371 55.5098 40.1476 172.9958 124 L 4.8301 7.9211 116.5438 51.8136 44.7845 175.5028 125 P 4.3549 0.0000 0.0000 62.4217 32.1946 177.1594 126 L 3.9232 8.7904 123.9279 58.5048 41.9377 178.3497 127 D 4.5492 8.0839 113.6581 54.2823 39.2886 176.2798 128 R 4.6163 8.2191 117.9053 56.0683 31.7928 175.1478 129 V 4.8076 7.8755 119.6160 61.0303 33.6437 174.3595 130 N 5.1193 9.1111 125.4504 51.8339 42.6725 172.9651 131 V 4.9321 8.2971 123.6659 59.9667 34.6371 174.4825 132 K 4.8728 8.9159 125.7091 54.5098 36.1338 174.8228 133 A 5.2470 8.4502 122.5570 50.3049 22.0046 175.6467 134 K 4.7595 9.1916 120.3248 54.7907 36.8955 176.4259 135 T 4.8044 8.3959 113.1815 60.0435 70.9260 173.5987 136 N 4.7610 8.6500 116.5407 52.9619 39.0856 174.1113 137 E 3.8232 8.8293 115.4887 57.5755 27.6757 176.1193 138 K 4.1617 8.2071 114.1376 54.7049 30.2915 177.3048 139 L 4.4503 7.9853 120.2835 55.1572 43.1459 178.4894 140 G 4.1849 8.5267 112.4401 44.9863 0.0000 173.2298 141 Y 4.3730 8.1472 115.8219 60.1341 37.7118 178.3592 142 L 4.0665 7.0870 120.4881 57.6633 41.3814 179.5325 143 G 3.6592 8.1826 105.4635 47.1748 0.0000 174.9313 144 R 4.5117 7.8792 117.9566 55.5650 30.3616 176.7420 145 G 3.9403 7.8044 106.8078 46.6934 0.0000 174.7036 146 E 4.3462 8.6029 120.2662 56.9364 30.1177 175.8399 147 G 4.5693 7.4564 103.8558 45.7852 0.0000 172.6209 148 I 4.9741 8.5690 119.7217 59.4461 41.2983 174.7031 149 E 5.0612 8.9389 126.7058 54.4460 32.7515 174.3346 150 A 5.2649 8.7081 125.1236 50.2943 23.0263 175.0412 151 Q 5.2515 9.2514 118.8389 54.1823 32.8661 174.5938 152 A 5.2650 9.1506 122.8709 50.3399 23.3526 174.8130 153 A 5.1953 9.1453 121.1753 50.1021 22.6538 175.1865 154 A 5.0996 9.0885 122.4664 50.0085 23.1515 174.6276 155 L 5.1597 8.8343 123.0013 53.4366 45.1408 175.7649 156 V 5.2211 8.8758 118.1633 59.7129 36.7782 174.5999 157 V 4.8603 8.9811 122.7561 60.9579 34.7898 176.3218 158 R 4.5419 8.7623 123.4949 56.1858 28.9684 174.1878 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 1 M 8.30 4.44 0.00 2.05 1.28 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 8.03 4.71 0.00 2.82 2.50 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 3 F 8.84 5.00 0.00 3.03 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 4 R 9.18 4.93 0.00 1.57 1.72 0.00 3.29 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 5 I 8.47 4.97 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 1.29 1.08 0.93 0.00 0.00 6 G 9.09 4.51 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 7 Q 8.55 5.17 0.00 2.15 2.16 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 2.31 2.42 0.00 8 G 9.16 4.48 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 0.00 9 Y 8.49 5.38 0.00 2.94 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 10 D 8.16 4.58 0.00 2.77 2.45 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 11 V 7.71 4.81 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 0.77 0.00 0.00 1.07 0.00 0.00 12 H 8.91 5.01 0.00 3.07 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.72 4.64 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 14 L 8.61 5.10 0.00 1.81 1.64 1.13 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.81 4.67 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 0.66 0.00 0.00 0.99 0.00 0.00 16 P 0.00 4.59 0.00 1.91 1.94 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 17 G 9.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.52 4.87 0.00 1.71 1.79 0.00 3.29 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 19 P 0.00 4.73 0.00 2.11 2.17 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 L 8.42 4.79 0.00 2.12 1.85 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.26 5.00 1.83 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 1.39 1.10 0.88 0.00 0.00 22 I 8.18 4.75 1.82 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 1.18 0.72 0.87 0.00 0.00 23 G 9.88 3.69 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 0.00 0.00 0.00 24 G 9.09 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 25 V 7.40 4.14 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 0.94 0.00 0.00 0.98 0.00 0.00 26 T 8.40 4.75 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 1.20 0.00 0.00 27 I 8.58 4.46 1.78 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 0.85 0.62 0.77 0.00 0.00 28 P 0.00 4.43 0.00 2.12 2.10 0.00 3.79 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 Y 8.34 4.78 0.00 2.91 2.94 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 30 E 7.80 4.16 0.00 2.03 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 2.23 1.90 0.00 31 R 7.02 4.90 0.00 1.65 1.87 0.00 3.10 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.00 32 G 9.16 4.76 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 0.00 0.00 0.00 33 L 7.96 5.01 0.00 1.57 1.56 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.19 4.14 0.00 1.57 1.62 0.93 0.79 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 35 G 8.86 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 0.00 0.00 0.00 *38 D 8.32 4.38 0.00 2.77 2.83 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 39 A 7.96 3.44 1.23 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 0.00 0.00 40 D 8.08 4.71 0.00 2.81 2.44 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 41 V 7.95 4.09 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 1.04 0.00 0.00 1.00 0.00 0.00 42 L 7.80 3.87 0.00 1.74 1.87 0.90 0.64 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 43 L 8.11 4.01 0.00 1.72 1.70 0.89 1.15 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 44 H 8.33 4.26 0.00 3.47 3.39 0.00 5.64 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 45 A 7.94 4.03 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 46 I 7.82 3.65 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.88 0.00 0.00 47 T 8.12 3.73 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 1.30 0.00 0.00 48 D 8.42 4.51 0.00 2.96 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 49 A 8.09 4.24 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 50 L 7.97 3.84 0.00 1.57 1.51 0.82 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.15 4.54 0.00 3.07 2.94 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 52 G 8.56 3.63 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 0.00 0.00 0.00 53 A 8.10 4.24 1.25 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 54 A 7.59 3.19 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 55 A 7.50 3.73 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 56 L 8.62 4.69 0.00 1.76 1.70 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.92 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 0.00 0.00 0.00 58 D 8.03 4.85 0.00 3.08 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 59 I 9.37 3.90 2.20 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 1.76 1.74 1.00 0.00 0.00 60 G 8.11 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.73 3.98 0.00 1.77 1.76 0.00 3.09 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 62 H 7.34 4.11 0.00 1.89 1.82 0.00 5.59 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 63 F 7.74 5.04 0.00 3.03 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 64 S 8.25 4.36 0.00 3.85 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 65 D 9.07 4.44 0.00 2.73 2.61 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 0.00 66 T 7.79 4.20 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 67 D 7.62 4.42 0.00 2.62 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 68 P 0.00 4.23 0.00 2.09 2.12 0.00 3.74 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 2.04 2.10 0.00 69 R 8.00 4.07 0.00 1.85 1.76 0.00 3.30 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 *73 A 8.15 4.04 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 74 D 8.24 4.72 0.00 3.19 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 75 S 8.93 4.23 0.00 3.88 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 76 R 8.27 3.88 0.00 2.02 2.01 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 77 A 8.12 3.92 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 78 L 7.58 3.25 0.00 1.76 1.35 0.85 -0.44 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 79 L 8.08 3.90 0.00 1.84 1.80 0.87 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80 R 8.14 3.93 0.00 1.99 1.95 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 81 E 8.33 4.02 0.00 2.09 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 2.59 2.83 0.00 82 C 8.64 4.00 0.00 2.92 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 83 A 8.00 3.95 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 84 S 8.14 4.14 0.00 3.96 4.09 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 85 R 8.25 4.03 0.00 2.33 2.16 0.00 3.44 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 86 V 8.32 3.67 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 1.09 0.00 0.00 0.91 0.00 0.00 87 A 8.59 4.39 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.27 4.01 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 89 A 7.95 4.48 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.15 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.26 5.17 0.00 3.15 2.94 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 92 A 8.98 4.82 1.23 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 0.00 0.00 93 I 8.39 4.16 1.89 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 1.35 0.60 0.92 0.00 0.00 94 R 9.05 4.62 0.00 1.89 2.06 0.00 3.48 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.00 0.00 95 N 7.61 4.93 0.00 2.87 2.88 0.00 0.00 5.60 7.68 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 96 V 8.76 4.92 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.26 5.49 0.00 2.78 2.43 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 98 S 8.22 5.13 0.00 3.96 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 99 T 9.06 5.09 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 0.00 100 I 8.94 4.72 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 1.20 0.66 0.92 0.00 0.00 101 I 8.83 4.96 1.86 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 1.15 0.76 0.91 0.00 0.00 102 A 8.84 4.78 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 0.00 103 Q 9.00 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 104 A 7.26 4.40 1.22 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 0.00 0.00 105 P 0.00 4.39 0.00 2.04 1.71 0.00 3.30 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.36 0.00 106 K 8.37 4.06 0.00 1.80 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.03 7.81 107 L 8.44 4.49 0.00 1.67 1.71 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.22 3.96 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 0.00 109 P 0.00 4.23 0.00 1.66 2.00 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 110 H 8.07 4.75 0.00 3.24 3.29 0.00 5.62 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 0.00 111 I 7.42 3.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.89 0.94 0.00 0.00 112 D 8.12 4.32 0.00 2.67 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 0.00 113 A 7.92 3.98 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 0.00 114 M 7.95 4.29 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.59 0.00 115 R 8.23 3.88 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 116 A 8.17 4.00 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 0.00 117 N 8.29 4.28 0.00 2.98 2.86 0.00 0.00 7.04 6.97 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 0.00 118 I 8.00 3.66 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.90 0.00 0.00 119 A 8.35 3.95 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 0.00 120 A 7.95 3.92 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 0.00 121 D 8.10 4.37 0.00 2.78 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 0.00 122 L 7.90 4.37 0.00 1.60 1.68 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.66 4.36 0.00 2.77 2.68 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 0.00 124 L 7.92 4.83 0.00 1.61 1.54 0.92 0.90 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 0.00 125 P 0.00 4.35 0.00 2.37 1.98 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 126 L 8.79 3.92 0.00 1.71 1.68 0.92 1.17 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 0.00 127 D 8.08 4.55 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 0.00 128 R 8.22 4.62 0.00 1.91 2.08 0.00 3.08 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 129 V 7.88 4.81 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.11 5.12 0.00 2.84 2.77 0.00 0.00 6.21 7.02 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 0.00 131 V 8.30 4.93 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 1.24 0.00 0.00 0.92 0.00 0.00 132 K 8.92 4.87 0.00 1.78 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.49 7.81 133 A 8.45 5.25 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 0.00 134 K 9.19 4.76 0.00 1.58 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.50 7.81 135 T 8.40 4.80 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 1.19 0.00 0.00 136 N 8.65 4.76 0.00 2.74 2.76 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.83 3.82 0.00 2.13 1.97 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 2.24 2.36 0.00 138 K 8.21 4.16 0.00 1.96 1.76 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.28 1.22 7.81 139 L 7.99 4.45 0.00 1.74 1.55 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.53 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 0.00 0.00 0.00 141 Y 8.15 4.37 0.00 3.27 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 0.00 142 L 7.09 4.07 0.00 1.49 1.66 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.18 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.88 4.51 0.00 1.87 2.02 0.00 3.27 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 145 G 7.80 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 0.00 0.00 0.00 146 E 8.60 4.35 0.00 2.34 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 2.33 2.31 0.00 147 G 7.46 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.57 4.97 1.88 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 1.11 1.25 0.93 0.00 0.00 149 E 8.94 5.06 0.00 2.09 1.77 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 2.18 2.16 0.00 150 A 8.71 5.26 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 0.00 151 Q 9.25 5.25 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 152 A 9.15 5.27 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 0.00 153 A 9.15 5.20 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 0.00 154 A 9.09 5.10 1.17 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 0.00 0.00 0.00 155 L 8.83 5.16 0.00 1.78 1.69 1.06 0.71 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 0.00 156 V 8.88 5.22 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 0.68 0.00 0.00 0.67 0.00 0.00 157 V 8.98 4.86 1.54 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 0.77 0.00 0.00 0.14 0.00 0.00 158 R 8.76 4.54 0.00 1.60 1.73 0.00 3.26 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.00 * Residues marked with a * may have inaccurate shift predictions.