NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.7265 8.4293 117.3758 54.2364 29.6582 172.5583 0 H 4.4351 8.5331 115.2205 56.0343 29.2953 172.4330 1 M 4.9310 8.5705 120.6237 53.7869 36.2490 175.7339 2 A 4.7796 8.6099 119.5409 51.4412 23.2349 175.7257 3 H 5.2887 8.8388 119.1235 55.4823 30.3238 174.5445 4 I 5.3299 9.0556 115.7998 59.1025 41.4086 173.9983 5 F 5.4666 9.3766 125.5255 56.7690 41.6826 174.3313 6 V 4.4146 8.5631 119.9017 59.6988 33.5825 176.1072 7 Y 4.5976 7.9167 120.8097 56.2725 41.0518 176.5681 8 G 3.6936 6.5041 108.7835 45.4708 0.0000 176.8124 9 T 4.0089 7.8800 114.8424 63.4915 68.6911 176.0013 10 L 3.8971 7.3843 120.9861 56.2638 42.2693 177.4333 11 K 4.3410 7.6356 118.4060 55.7731 32.5829 176.5030 12 R 3.4383 8.6437 120.6109 58.2030 30.2627 177.6970 13 G 3.8643 8.7455 109.5300 45.6629 0.0000 172.9452 14 Q 4.6785 7.7180 118.6341 53.1153 31.1477 175.0129 15 P 4.3175 0.0000 0.0000 65.1474 31.7635 177.3593 16 N 4.8050 8.1628 114.3362 52.9746 39.1246 175.8621 17 H 4.1205 8.1475 121.5458 59.2277 30.2922 177.3053 18 K 3.7662 8.1903 118.3940 59.8687 31.2659 179.2646 19 V 3.5723 7.5321 111.9147 64.2470 31.1221 178.2276 20 M 3.6763 7.6702 117.4674 57.1291 31.9094 177.6331 21 L 4.5045 7.2084 117.1316 54.0590 42.4817 176.0607 22 D 4.4528 7.1454 119.7907 53.3559 40.8335 176.4622 23 H 4.4823 8.9544 124.4734 57.2904 28.9522 177.6907 24 S 4.2241 7.9003 113.5631 60.3614 63.0607 174.5894 25 H 4.4556 7.8857 118.1376 54.9251 29.2493 173.2676 26 G 4.0475 7.1498 104.7616 43.5544 0.0000 171.7429 27 L 4.8525 8.4098 120.0863 53.1724 45.0794 176.9222 28 A 5.1158 8.4982 126.2606 50.4504 22.0247 174.7795 29 A 4.7993 9.3829 125.3084 49.8240 21.6169 175.5097 30 F 3.4745 9.0655 125.7664 58.5070 39.5091 174.7992 31 R 3.4644 8.5526 124.4294 54.7478 32.9815 176.4076 32 G 3.3605 5.3800 103.6160 45.6952 0.0000 170.6010 33 R 5.1968 7.7714 118.0708 54.8110 33.9660 175.3754 34 G 4.5852 9.1375 107.9509 45.9012 0.0000 170.9754 35 C 5.7453 8.9748 119.2727 57.2122 35.2744 173.3559 36 T 3.9561 8.5710 115.2888 62.0882 68.5063 174.5608 37 V 3.7293 8.5137 125.3226 66.1914 31.9006 176.3267 38 E 4.2470 8.1212 119.7323 55.7300 30.1927 176.0016 39 S 4.6352 8.0866 119.0969 57.9158 65.0730 172.8731 40 F 4.7698 8.7437 119.2627 54.2234 43.9009 172.1690 41 P 3.9658 0.0000 0.0000 62.2582 32.5452 174.9710 42 L 5.1482 8.5517 125.8212 53.4869 44.5466 175.2723 43 V 4.9629 8.9109 119.2969 59.6485 35.8241 174.9454 44 I 4.9962 8.4590 123.6609 59.9727 38.3011 174.8195 45 A 4.1674 9.0926 128.4353 51.2644 23.0748 176.4370 46 G 4.1201 8.4717 105.4761 44.9718 0.0000 174.5929 47 E 4.0379 8.6604 117.1664 59.0021 29.5977 177.9562 48 H 4.9335 8.1545 113.6513 54.1493 29.5917 174.3506 49 N 4.3488 7.8970 116.3667 54.3106 36.5799 174.5211 50 I 4.2415 7.4709 118.5225 60.1936 39.0305 175.1747 51 P 4.8783 0.0000 0.0000 62.2863 32.5024 175.5076 52 W 5.3157 9.4579 122.9306 54.9857 33.1302 174.1036 53 L 4.6957 9.0481 127.4156 53.7704 42.2476 175.2984 54 L 4.5340 8.6932 127.9796 54.6887 42.2716 177.9526 55 Y 4.3167 8.9253 126.6416 56.2263 36.8409 175.0407 56 L 4.6515 7.4710 123.6193 50.9562 42.8145 173.6978 57 P 3.5797 0.0000 0.0000 64.0426 31.7886 177.9097 58 G 3.7657 8.6496 110.9258 44.8883 0.0000 173.1997 59 K 4.4833 7.5572 119.2602 55.5448 35.1370 177.4073 60 G 4.0467 8.4762 108.7339 47.0182 0.0000 173.6282 61 H 5.1675 8.6672 121.3130 53.4104 33.6920 171.9816 62 C 4.6116 8.7713 115.1834 58.5278 30.3957 172.9699 63 V 4.7980 8.8868 123.2696 61.5298 33.1378 175.0991 64 T 5.0125 8.8169 118.5342 61.6576 70.5121 174.9939 65 G 3.7318 8.1631 106.8305 46.5327 0.0000 171.4434 66 E 5.3008 8.0546 119.1101 54.6324 33.4613 175.2907 67 I 4.9904 8.5018 124.6272 60.3340 39.1329 174.4910 68 Y 4.9649 9.2022 124.1107 56.0703 42.2100 173.9807 69 E 5.0589 9.2427 123.5699 54.9348 31.5318 175.2514 70 V 5.1176 8.9748 120.1497 59.5068 36.1376 175.0268 71 D 4.9575 8.5560 122.8514 52.4576 41.3258 177.3693 72 E 3.9725 8.7355 117.4658 59.3635 29.2445 179.3578 73 Q 3.9554 8.0023 119.2511 59.4356 29.1648 177.8486 74 M 4.5237 8.4533 120.5874 58.0100 32.2524 177.7580 75 L 4.0201 8.1844 120.6297 58.5230 42.4158 179.3401 76 R 3.9530 8.3305 118.0431 58.9147 29.9203 178.8589 77 F 4.0415 8.3764 120.7453 61.3262 39.3678 177.2391 78 L 3.7159 8.2819 118.8460 57.6759 41.2715 179.0745 79 D 4.3800 8.2413 118.9711 57.4859 40.7723 178.5655 80 D 4.1431 7.7903 117.9795 57.1141 41.0299 177.8274 81 F 3.6695 7.7646 120.2437 61.1544 38.9971 176.1568 82 E 3.9436 8.1353 116.0377 55.1078 29.9068 175.9045 83 D 4.4209 7.8401 118.6196 55.3120 40.2652 173.2644 84 C 4.8681 8.2383 115.7007 59.4885 29.0602 172.5225 85 P 5.4522 0.0000 0.0000 62.0442 31.4892 176.7354 86 S 4.2386 8.1058 114.9463 61.8059 63.5192 175.0400 87 M 4.2588 8.3136 119.7267 57.1075 32.6953 175.1673 88 Y 5.2926 7.6921 114.9104 56.2724 42.8816 174.4407 89 Q 4.9997 9.3508 119.5986 54.0981 32.4976 174.9477 90 R 4.4425 8.7226 124.4025 56.4257 31.0057 175.5833 91 T 4.7987 9.1306 122.4600 61.6814 72.8379 172.6683 92 A 4.9696 8.7621 127.3119 51.2093 19.8535 176.5618 93 L 4.9235 9.0944 122.1582 52.7243 46.7093 175.5837 94 Q 4.5006 8.5803 122.4675 55.7930 30.7166 174.5341 95 V 4.5473 8.4509 126.1301 60.7380 34.5098 174.2518 96 Q 4.4728 8.8793 130.4713 56.0541 30.1522 174.9270 97 V 4.2339 8.5023 127.6056 62.8632 31.4774 175.4048 98 L 4.5824 9.1245 128.4998 56.1717 42.7818 176.8048 99 E 4.8478 7.9651 118.0450 54.5255 33.2958 173.7260 100 W 5.1993 8.7380 135.0000 55.6461 33.8626 174.5605 101 E 4.2869 8.5647 126.0296 56.6163 29.9483 176.7687 *105 D 4.6351 8.1845 119.3764 52.4002 41.7125 173.0452 106 P 4.0218 0.0000 0.0000 63.1119 32.2863 177.0022 107 G 3.6845 7.5500 105.2793 44.4174 0.0000 172.2194 108 D 4.6294 8.4823 117.0044 56.9141 42.0138 176.5050 109 S 5.2148 7.6812 110.5556 57.0327 66.5622 173.9019 110 V 4.4416 8.7946 119.4562 59.9501 34.8171 174.1329 111 Q 4.6050 8.6056 124.7259 56.1302 29.9293 174.6644 112 C 5.0341 8.9654 123.0626 57.7535 33.0365 173.5594 113 F 4.9530 8.7207 121.4601 57.8197 39.9523 174.6608 114 V 4.8644 8.9965 122.0627 61.4620 35.3758 174.1805 115 Y 4.8167 8.8053 125.3112 57.8291 37.8027 174.8659 116 T 5.0302 8.8376 115.5645 60.4237 72.4207 173.3063 117 T 5.3410 9.1868 115.1817 60.7096 70.6982 173.8241 118 A 4.9034 9.6213 130.6165 52.3764 19.6964 177.0100 119 T 4.2963 7.8269 106.5420 61.0242 69.1033 174.3684 120 Y 3.4442 7.3936 118.9075 56.9422 38.8287 175.3417 121 A 3.5443 5.8000 124.1155 50.8944 19.2632 177.0413 122 P 4.3330 0.0000 0.0000 65.9477 31.2479 178.5275 123 E 4.4294 8.0892 115.9787 58.2345 29.7080 178.5428 124 W 4.5641 8.3895 120.2631 59.1324 28.8012 177.9043 125 L 4.1452 7.6961 118.2146 56.8479 40.9564 177.6229 126 F 4.7514 7.5583 115.8249 57.2475 39.1098 175.7699 127 L 4.5633 7.5505 121.4395 52.7406 42.6964 174.8653 128 P 4.2290 0.0000 0.0000 63.0316 31.7440 175.8158 129 Y 5.0798 8.2972 119.8900 57.0236 38.8447 175.0753 130 H 4.8730 9.1111 123.1822 54.6388 30.5155 175.6074 131 E 4.3401 8.7701 122.0899 58.6636 29.9369 176.8645 132 S 5.0166 7.8141 110.2602 56.9080 66.0734 172.1242 133 Y 4.6969 8.5572 122.1307 55.8351 40.4312 174.6292 134 D 4.2425 7.6860 125.2056 52.2047 43.8905 175.3409 135 S 3.8794 8.5180 122.6051 61.3156 62.4403 175.2091 136 E 4.4566 8.1332 116.8290 55.9273 29.5368 176.1517 137 G 3.7272 7.7960 110.2597 44.3600 0.0000 173.2801 138 P 4.3862 0.0000 0.0000 64.5502 31.4348 177.3352 139 H 4.1289 8.0507 114.5180 56.9212 28.2970 176.3297 140 G 3.8681 7.8170 106.9469 45.9529 0.0000 174.1822 141 L 4.5486 7.8957 120.5725 52.7390 40.9942 175.1531 142 R 4.6237 8.0296 121.9400 54.6234 31.1230 175.5453 143 Y 4.6564 8.6760 126.7743 58.1985 39.4755 175.0494 144 N 4.9552 8.3558 123.1174 49.9932 40.9959 172.1921 145 P 4.3660 0.0000 0.0000 62.4860 32.4912 177.4198 146 R 3.4423 8.5909 120.0415 59.3282 30.0597 177.7493 147 E 4.3079 7.9439 114.0701 56.6421 29.9236 176.4600 148 N 4.4889 8.1723 120.2856 53.8684 39.2082 176.0050 149 R 4.2625 8.4022 119.3267 56.3755 30.4801 173.9015 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 H 8.43 4.73 0.00 2.95 2.93 0.00 7.17 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.53 4.44 0.00 3.33 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.57 4.93 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 A 8.61 4.78 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 3 H 8.84 5.29 0.00 3.26 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.06 5.33 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.14 1.12 0.00 0.00 5 F 9.38 5.47 0.00 2.98 3.01 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 6 V 8.56 4.41 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 0.66 0.00 0.00 0.98 0.00 0.00 7 Y 7.92 4.60 0.00 3.04 2.96 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 8 G 6.50 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 9 T 7.88 4.01 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 0.60 0.00 0.00 10 L 7.38 3.90 0.00 1.41 1.52 0.65 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.64 4.34 0.00 1.94 1.74 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.50 7.81 12 R 8.64 3.44 0.00 1.81 1.71 0.00 2.53 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 13 G 8.75 3.86 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 0.00 0.00 0.00 14 Q 7.72 4.68 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 15 P 0.00 4.32 0.00 1.91 2.25 0.00 3.64 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 2.13 2.18 0.00 16 N 8.16 4.80 0.00 2.63 2.56 0.00 0.00 6.47 9.02 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 17 H 8.15 4.12 0.00 3.43 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.19 3.77 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.53 7.81 19 V 7.53 3.57 1.91 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 0.65 0.00 0.00 0.44 0.00 0.00 20 M 7.67 3.68 0.00 1.65 1.81 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 21 L 7.21 4.50 0.00 1.67 1.65 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.15 4.45 0.00 2.56 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 0.00 0.00 0.00 0.00 23 H 8.95 4.48 0.00 3.19 3.29 0.00 6.15 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.90 4.22 0.00 3.92 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 25 H 7.89 4.46 0.00 2.87 2.59 0.00 5.61 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 26 G 7.15 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 27 L 8.41 4.85 0.00 1.86 1.62 0.92 1.11 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 28 A 8.50 5.12 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 29 A 9.38 4.80 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 30 F 9.07 3.47 0.00 2.82 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 31 R 8.55 3.46 0.00 0.97 0.66 0.00 3.07 0.00 0.00 2.72 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 32 G 5.38 3.36 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 0.00 33 R 7.77 5.20 0.00 1.84 1.91 0.00 3.23 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 34 G 9.14 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 8.97 5.75 0.00 3.05 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 36 T 8.57 3.96 4.50 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 1.21 0.00 0.00 37 V 8.51 3.73 2.15 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 0.73 0.00 0.00 0.93 0.00 0.00 38 E 8.12 4.25 0.00 1.91 1.73 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 1.78 1.47 0.00 39 S 8.09 4.64 0.00 3.86 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 40 F 8.74 4.77 0.00 2.87 2.96 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 41 P 0.00 3.97 0.00 1.46 0.49 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 42 L 8.55 5.15 0.00 1.72 1.79 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.91 4.96 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 0.99 0.00 0.00 1.01 0.00 0.00 44 I 8.46 5.00 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.60 1.02 0.00 0.00 45 A 9.09 4.17 -0.50 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 46 G 8.47 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 47 E 8.66 4.04 0.00 1.86 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 2.37 2.31 0.00 48 H 8.15 4.93 0.00 3.24 3.35 0.00 6.04 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.90 4.35 0.00 3.06 2.96 0.00 0.00 6.95 7.55 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 50 I 7.47 4.24 1.74 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 1.39 0.83 -0.33 0.00 0.00 51 P 0.00 4.88 0.00 1.83 1.04 0.00 3.25 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 0.00 52 W 9.46 5.32 0.00 3.24 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 53 L 9.05 4.70 0.00 0.67 1.41 0.77 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.69 4.53 0.00 1.29 1.13 0.43 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.93 4.32 0.00 3.12 3.12 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 56 L 7.47 4.65 0.00 1.55 1.41 0.73 1.01 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 57 P 0.00 3.58 0.00 1.90 1.69 0.00 3.39 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 58 G 8.65 3.77 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 0.00 0.00 0.00 59 K 7.56 4.48 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.46 7.81 60 G 8.48 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 61 H 8.67 5.17 0.00 3.08 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 C 8.77 4.61 0.00 3.30 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 63 V 8.89 4.80 2.24 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 1.10 0.00 0.00 1.14 0.00 0.00 64 T 8.82 5.01 4.39 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 1.33 0.00 0.00 65 G 8.16 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 0.00 0.00 0.00 0.00 66 E 8.05 5.30 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 2.46 2.35 0.00 67 I 8.50 4.99 1.72 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.90 1.02 0.00 0.00 68 Y 9.20 4.96 0.00 2.95 2.88 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 69 E 9.24 5.06 0.00 2.10 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 2.25 2.23 0.00 70 V 8.97 5.12 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 0.82 0.00 0.00 1.11 0.00 0.00 71 D 8.56 4.96 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.74 3.97 0.00 2.07 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 2.37 2.42 0.00 73 Q 8.00 3.96 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 74 M 8.45 4.52 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.44 0.00 75 L 8.18 4.02 0.00 1.98 1.86 0.97 0.96 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 76 R 8.33 3.95 0.00 1.93 1.98 0.00 3.19 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 77 F 8.38 4.04 0.00 3.16 3.20 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 78 L 8.28 3.72 0.00 1.94 1.54 0.96 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.24 4.38 0.00 2.83 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 80 D 7.79 4.14 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.76 3.67 0.00 2.07 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 82 E 8.14 3.94 0.00 1.48 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 0.00 1.79 1.47 0.00 83 D 7.84 4.42 0.00 2.80 2.65 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 84 C 8.24 4.87 0.00 3.11 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 85 P 0.00 5.45 0.00 2.18 2.15 0.00 3.38 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 86 S 8.11 4.24 0.00 4.00 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 87 M 8.31 4.26 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.69 0.00 88 Y 7.69 5.29 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 89 Q 9.35 5.00 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 90 R 8.72 4.44 0.00 1.68 1.66 0.00 2.27 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.23 0.00 91 T 9.13 4.80 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 1.13 0.00 0.00 92 A 8.76 4.97 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 93 L 9.09 4.92 0.00 1.48 1.55 0.61 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.58 4.50 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 95 V 8.45 4.55 2.04 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 0.63 0.00 0.00 0.34 0.00 0.00 96 Q 8.88 4.47 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 97 V 8.50 4.23 2.04 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 0.97 0.00 0.00 0.85 0.00 0.00 98 L 9.12 4.58 0.00 1.72 1.76 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.97 4.85 0.00 2.03 1.80 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 2.35 2.32 0.00 100 W 8.74 5.20 0.00 3.32 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 0.00 101 E 8.56 4.29 0.00 1.55 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 2.30 2.41 0.00 *105 D 8.18 4.64 0.00 2.44 2.48 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 0.00 106 P 0.00 4.02 0.00 1.20 0.51 0.00 3.28 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.00 107 G 7.55 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 0.00 0.00 0.00 108 D 8.48 4.63 0.00 2.56 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 0.00 109 S 7.68 5.21 0.00 3.84 3.72 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 0.00 110 V 8.79 4.44 1.89 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 0.66 0.00 0.00 0.83 0.00 0.00 111 Q 8.61 4.60 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 112 C 8.97 5.03 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.72 4.95 0.00 2.94 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 0.00 114 V 9.00 4.86 2.15 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 1.27 0.00 0.00 1.13 0.00 0.00 115 Y 8.81 4.82 0.00 2.73 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 0.00 116 T 8.84 5.03 4.46 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 1.21 0.00 0.00 117 T 9.19 5.34 4.47 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 1.53 0.00 0.00 118 A 9.62 4.90 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 0.00 119 T 7.83 4.30 4.07 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 1.17 0.00 0.00 120 Y 7.39 3.44 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 5.80 3.54 0.13 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 0.00 0.00 122 P 0.00 4.33 0.00 2.27 2.25 0.00 3.43 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.92 0.00 123 E 8.09 4.43 0.00 2.44 2.40 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 2.63 2.52 0.00 124 W 8.39 4.56 0.00 3.43 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 0.00 125 L 7.70 4.15 0.00 1.04 1.41 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.56 4.75 0.00 3.29 3.11 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 0.00 127 L 7.55 4.56 0.00 1.91 1.69 0.84 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.23 0.00 2.04 1.96 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 129 Y 8.30 5.08 0.00 2.98 2.88 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 0.00 130 H 9.11 4.87 0.00 3.35 3.53 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 0.00 131 E 8.77 4.34 0.00 2.08 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 2.39 2.19 0.00 132 S 7.81 5.02 0.00 4.02 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 0.00 133 Y 8.56 4.70 0.00 2.98 3.18 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 0.00 134 D 7.69 4.24 0.00 2.59 2.28 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 0.00 135 S 8.52 3.88 0.00 3.95 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 0.00 136 E 8.13 4.46 0.00 2.04 1.90 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 2.23 2.21 0.00 137 G 7.80 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 0.00 0.00 0.00 0.00 138 P 0.00 4.39 0.00 2.18 2.17 0.00 3.74 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 1.99 1.94 0.00 139 H 8.05 4.13 0.00 3.33 3.63 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.82 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.90 4.55 0.00 1.72 1.70 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.03 4.62 0.00 1.81 1.86 0.00 3.10 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 143 Y 8.68 4.66 0.00 3.15 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.36 4.96 0.00 2.70 2.74 0.00 0.00 6.53 7.43 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 0.00 145 P 0.00 4.37 0.00 2.13 2.26 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 146 R 8.59 3.44 0.00 1.73 1.93 0.00 3.02 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 147 E 7.94 4.31 0.00 1.95 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 2.28 2.27 0.00 148 N 8.17 4.49 0.00 2.88 2.75 0.00 0.00 6.57 7.07 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 0.00 149 R 8.40 4.26 0.00 1.78 1.63 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 * Residues marked with a * may have inaccurate shift predictions.