NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9044 8.2445 118.3543 57.9326 39.3491 174.5109 *2 F 4.6948 8.6825 119.6292 54.6647 40.9480 175.1744 3 Q 4.7213 8.4808 122.8629 52.3539 32.3908 172.6900 4 S 4.9108 8.5705 116.4622 55.6518 66.0933 172.9153 5 M 4.6640 8.3905 119.6628 53.6159 35.1279 174.7329 6 A 4.5327 8.4732 126.2029 50.4531 20.3393 175.5858 7 V 4.2510 8.2030 121.7175 61.8542 33.1229 175.0332 8 S 4.5446 8.5219 120.8447 56.3429 64.7818 172.5126 9 D 4.7447 8.4580 127.3551 51.9519 40.9908 174.5638 10 P 4.4881 0.0000 0.0000 64.4535 32.0639 177.1218 11 Q 4.2766 8.0074 118.0370 56.8484 29.3945 177.2351 12 H 4.0601 8.3126 118.3782 59.1984 29.8979 176.7987 13 A 3.8473 8.0150 121.8299 55.0646 18.2421 179.2513 14 A 3.8459 7.8444 118.6320 55.2479 18.4616 179.5261 15 R 3.7292 7.7895 117.1679 59.5526 30.0776 178.3546 16 L 3.8144 7.9667 120.3040 58.0745 42.0000 178.5564 17 L 3.8673 7.9302 120.1893 58.3417 41.8072 179.2730 18 R 3.8548 7.9612 117.6918 59.0633 29.7328 178.9105 19 A 3.7135 7.4336 119.5703 54.9612 18.6695 179.3736 20 L 3.5218 7.8460 117.6728 57.6921 41.1073 179.5304 21 S 3.8118 8.1875 113.2216 61.5058 62.0125 176.4492 22 S 4.1537 7.3384 116.9979 61.1206 62.6577 175.7200 23 F 4.9276 7.5782 118.4745 57.8399 38.7428 177.3030 24 R 3.7938 7.5770 119.5746 58.1580 29.9536 176.7696 25 E 4.5087 7.5489 114.5614 54.0416 31.7025 180.9082 *28 R 4.1782 8.5927 124.2901 54.9685 31.6355 176.1326 29 F 4.6039 7.7380 113.3238 58.3395 40.4295 176.4202 30 C 4.3940 8.3382 121.0303 60.9082 28.0723 173.4892 31 D 5.0151 8.8318 124.7576 53.9764 41.3508 172.1717 32 A 4.8081 7.6368 117.0095 52.4897 23.1851 174.4513 33 H 5.3715 8.8682 116.0506 53.9429 31.8986 173.8917 34 L 4.5055 8.9464 124.1228 54.6865 43.0521 176.2666 35 V 4.6215 8.8927 127.2533 61.9701 32.7097 174.5629 36 L 5.5742 8.4525 129.6512 52.2052 44.5132 173.7736 37 D 4.2000 8.9375 122.3410 55.5176 39.4314 174.7104 38 G 4.0232 8.9016 117.9318 47.0168 0.0000 172.6489 39 E 4.7037 8.4782 118.4588 54.6736 32.0529 177.9747 40 E 5.1403 8.7101 122.5355 54.0317 32.2878 175.5122 41 I 4.5496 8.6693 125.7747 58.4705 39.6115 173.2977 42 P 4.9129 0.0000 0.0000 63.2698 31.6861 176.1375 43 V 4.6423 8.9797 121.6429 60.3846 35.5348 173.8537 44 Q 4.6313 8.7913 121.6158 55.0710 29.5300 176.4576 45 K 3.9857 9.0494 126.0489 59.6378 32.3549 178.2982 46 N 4.3467 8.1678 116.8085 56.1474 37.0700 177.0410 47 I 3.6623 7.7229 121.6189 64.0358 37.2852 178.2565 48 L 4.0100 7.8551 119.8718 57.5770 41.2140 179.3540 49 A 4.0022 8.2302 120.2625 55.0722 18.3748 179.2449 50 A 4.0476 8.1305 118.5429 55.0156 18.4853 179.3174 51 A 4.3276 7.6555 118.3770 52.9683 19.1700 177.4017 52 S 4.6480 7.8541 113.3791 55.8036 63.5948 172.7453 53 P 4.3291 0.0000 0.0000 65.6797 30.9739 177.9730 54 Y 4.3604 8.0716 117.9670 60.9943 38.8457 178.1476 55 I 3.4329 7.6629 120.2508 64.0376 36.6777 178.1196 56 R 3.9024 8.0863 119.6736 60.0872 29.8351 178.6901 57 T 4.0233 8.1776 115.2826 66.4867 68.4490 176.5059 58 K 3.9249 8.4247 122.0245 59.7675 31.8803 178.8060 59 L 4.3529 7.7607 119.4099 57.2284 41.5684 178.8449 60 N 4.3773 7.8215 115.2491 55.9258 38.5427 176.1399 61 Y 4.5482 7.7862 115.2768 57.5920 40.1622 175.5114 62 N 5.0633 8.5043 118.0247 50.8516 38.8166 170.9390 63 P 4.7330 0.0000 0.0000 61.3212 33.3406 177.0869 *69 S 4.2015 8.3043 116.7750 58.7734 62.7936 172.8034 70 T 4.2326 8.1522 121.5027 62.9774 69.5249 173.9599 71 Y 4.4833 8.5839 127.4039 56.8910 40.2363 173.8424 72 K 4.7093 8.0589 128.0771 55.1349 35.0922 176.2233 73 I 4.2589 8.5635 127.0231 59.3069 37.7927 173.1463 74 E 4.6430 8.6113 126.2006 55.6393 31.1669 174.1368 75 L 4.5900 8.8658 123.1453 54.8522 44.9269 175.8246 76 E 4.5113 8.7821 116.3846 55.6990 30.6887 176.3609 77 G 4.1660 7.9440 106.2321 46.1676 0.0000 173.7034 78 I 4.6258 7.2624 119.3114 58.2657 41.3072 175.8026 79 S 4.4120 8.4749 119.4979 58.0436 65.2588 175.6637 80 V 3.6770 7.9025 123.9186 66.9243 30.9834 178.9673 81 M 4.0977 7.9629 119.7153 59.7008 31.3207 180.6570 82 V 3.8038 7.4101 118.3506 66.0693 31.7870 177.7835 83 M 4.0811 8.0627 117.9527 58.8295 31.9995 178.4184 84 R 4.1869 8.0339 117.9167 59.1141 30.1912 178.8162 85 E 4.1207 7.9497 118.4406 59.0960 29.4450 179.3820 86 I 3.8218 7.9192 120.0605 64.4007 37.2671 178.2742 87 L 4.1926 8.5971 120.1704 58.0969 41.0226 179.2428 88 D 4.4999 8.2867 118.7450 57.5729 40.6806 178.2775 89 Y 4.6887 8.0251 121.1308 60.4700 38.6387 178.2079 90 I 3.2999 8.1031 119.5779 63.9493 37.2037 177.4278 91 F 4.5201 7.7394 115.8039 57.2798 38.9731 175.9419 92 S 4.4978 7.4442 112.2646 57.7817 68.0812 175.5765 93 G 3.5496 8.6378 108.9034 44.5608 0.0000 172.5228 94 Q 4.6530 8.0021 121.5866 54.0999 30.6401 173.9599 95 I 4.8194 8.3454 124.4053 59.1632 40.6520 174.3887 96 R 4.5311 8.5723 127.5338 55.3038 31.4346 176.6721 97 L 4.6655 8.2921 121.5445 52.6864 44.4017 173.1653 98 N 4.9995 8.5355 123.2097 50.7539 41.5388 176.3730 99 E 3.9368 8.7699 116.7440 60.0907 29.7331 176.6917 100 D 4.6353 8.0422 115.3955 54.4318 40.5233 178.9057 101 T 4.5079 7.3883 114.1193 65.8746 70.3169 176.2348 102 I 3.7833 7.6869 123.8527 65.0850 37.0453 179.1694 103 Q 3.9873 7.9590 121.0270 60.3532 28.0439 181.3242 104 D 4.5674 8.0103 120.8469 57.1041 40.8951 179.0023 105 V 3.5435 7.8634 118.8563 65.9158 31.6001 178.2928 106 V 3.6781 8.1151 120.6492 66.6090 31.2647 178.7544 107 Q 3.9712 8.2255 120.3001 59.9371 27.9788 180.3595 108 A 4.1351 8.2116 122.9327 55.1029 18.4620 179.4520 109 A 3.9102 8.3814 119.6273 55.3537 18.4487 179.4511 110 D 4.1509 8.0349 116.1567 57.4812 41.1728 178.0562 111 L 3.8027 7.6305 118.2096 57.9397 41.8495 179.0807 112 L 4.5047 7.8316 114.5943 53.9126 42.0437 176.6240 113 L 3.6681 7.4757 117.4833 56.1191 39.7676 176.4171 114 L 4.4090 8.0200 120.7103 53.9343 40.0793 176.5310 115 T 3.8897 7.9763 117.7133 64.9832 67.7496 175.0597 116 D 4.4370 8.0503 120.4153 56.7887 41.0265 178.2534 117 L 3.6322 7.8409 120.5908 57.8470 42.0806 178.7298 118 K 3.8346 7.9833 119.4796 59.9491 32.0024 178.9240 119 T 3.8846 7.7706 115.5016 66.4700 68.1003 176.4732 120 L 3.9700 7.8620 121.5386 58.2381 42.3323 178.5664 121 C 4.2658 7.9314 116.7586 62.8788 27.9730 175.8379 122 C 4.2682 8.1388 119.7407 63.2756 27.7384 176.3705 123 E 4.1330 7.9002 119.0993 59.7695 30.0780 180.6410 *124 F 4.9383 7.6210 116.7211 57.0068 38.5268 175.8974 125 L 4.3065 7.4183 124.4872 55.1262 42.5685 176.9631 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 Y 8.24 4.90 0.00 2.98 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 *2 F 8.68 4.69 0.00 2.34 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 0.00 0.00 0.00 3 Q 8.48 4.72 0.00 2.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 4 S 8.57 4.91 0.00 3.92 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 5 M 8.39 4.66 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.07 0.00 6 A 8.47 4.53 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 7 V 8.20 4.25 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 0.81 0.00 0.00 0.93 0.00 0.00 8 S 8.52 4.54 0.00 3.81 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 9 D 8.46 4.74 0.00 2.69 2.54 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 0.00 0.00 0.00 10 P 0.00 4.49 0.00 2.22 2.15 0.00 3.81 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 1.98 1.98 0.00 11 Q 8.01 4.28 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.16 0.00 12 H 8.31 4.06 0.00 3.29 3.42 0.00 5.79 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 13 A 8.01 3.85 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 14 A 7.84 3.85 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 15 R 7.79 3.73 0.00 1.96 2.04 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 16 L 7.97 3.81 0.00 1.65 1.65 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.93 3.87 0.00 1.87 1.76 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.96 3.85 0.00 2.01 1.89 0.00 3.14 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 19 A 7.43 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.85 3.52 0.00 1.90 1.86 0.90 0.75 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 21 S 8.19 3.81 0.00 4.05 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 22 S 7.34 4.15 0.00 3.65 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.58 4.93 0.00 3.05 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 24 R 7.58 3.79 0.00 1.66 1.80 0.00 2.70 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.20 0.00 25 E 7.55 4.51 0.00 2.06 1.71 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 2.15 2.07 0.00 *28 R 8.59 4.18 0.00 1.53 1.82 0.00 2.38 0.00 0.00 2.69 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 29 F 7.74 4.60 0.00 3.05 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 30 C 8.34 4.39 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.83 5.02 0.00 2.42 2.54 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 0.00 0.00 0.00 32 A 7.64 4.81 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 33 H 8.87 5.37 0.00 3.09 3.16 0.00 5.64 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.95 4.51 0.00 1.65 1.63 0.98 0.62 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 35 V 8.89 4.62 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 36 L 8.45 5.57 0.00 1.33 1.46 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.94 4.20 0.00 2.80 2.27 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 38 G 8.90 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 0.00 0.00 0.00 0.00 0.00 39 E 8.48 4.70 0.00 1.61 1.82 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 2.17 2.14 0.00 40 E 8.71 5.14 0.00 1.73 1.72 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 2.15 2.25 0.00 41 I 8.67 4.55 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.96 0.00 0.00 42 P 0.00 4.91 0.00 2.10 2.10 0.00 3.79 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 2.03 2.04 0.00 43 V 8.98 4.64 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 0.92 0.00 0.00 1.05 0.00 0.00 44 Q 8.79 4.63 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.75 2.50 0.00 45 K 9.05 3.99 0.00 1.87 1.84 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.55 7.81 46 N 8.17 4.35 0.00 2.97 3.08 0.00 0.00 6.18 7.59 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 47 I 7.72 3.66 2.05 0.00 0.00 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 1.60 1.30 0.42 0.00 0.00 48 L 7.86 4.01 0.00 1.68 1.74 0.99 0.75 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 49 A 8.23 4.00 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 50 A 8.13 4.05 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 51 A 7.66 4.33 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 52 S 7.85 4.65 0.00 3.91 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 53 P 0.00 4.33 0.00 2.27 2.15 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 54 Y 8.07 4.36 0.00 2.99 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 55 I 7.66 3.43 1.98 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 1.26 0.62 0.90 0.00 0.00 56 R 8.09 3.90 0.00 2.30 2.18 0.00 3.21 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 57 T 8.18 4.02 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 58 K 8.42 3.92 0.00 1.45 1.78 0.00 1.15 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.44 7.81 59 L 7.76 4.35 0.00 2.11 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.82 4.38 0.00 2.81 2.54 0.00 0.00 6.97 7.34 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 61 Y 7.79 4.55 0.00 2.96 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 62 N 8.50 5.06 0.00 2.63 2.81 0.00 0.00 7.12 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 63 P 0.00 4.73 0.00 2.21 2.14 0.00 3.92 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 1.96 1.97 0.00 *69 S 8.30 4.20 0.00 3.94 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 70 T 8.15 4.23 4.30 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 1.34 0.00 0.00 71 Y 8.58 4.48 0.00 3.09 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 72 K 8.06 4.71 0.00 1.71 1.56 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 0.97 7.81 73 I 8.56 4.26 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 1.09 0.85 0.91 0.00 0.00 74 E 8.61 4.64 0.00 1.75 1.75 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 2.21 1.91 0.00 75 L 8.87 4.59 0.00 1.60 1.62 0.97 0.88 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 76 E 8.78 4.51 0.00 1.98 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 2.16 1.85 0.00 77 G 7.94 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.26 4.63 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.93 0.00 0.00 79 S 8.47 4.41 0.00 4.05 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 80 V 7.90 3.68 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 0.99 0.00 0.00 1.01 0.00 0.00 81 M 7.96 4.10 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.17 0.00 82 V 7.41 3.80 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 83 M 8.06 4.08 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 84 R 8.03 4.19 0.00 2.14 2.00 0.00 3.19 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 85 E 7.95 4.12 0.00 2.15 2.03 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 2.56 2.51 0.00 86 I 7.92 3.82 2.08 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 1.50 0.78 0.99 0.00 0.00 87 L 8.60 4.19 0.00 1.91 1.95 1.01 1.23 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 88 D 8.29 4.50 0.00 2.98 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 89 Y 8.03 4.69 0.00 3.12 3.25 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 90 I 8.10 3.30 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.41 0.00 0.00 91 F 7.74 4.52 0.00 3.06 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 92 S 7.44 4.50 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.64 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.00 4.65 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 95 I 8.35 4.82 1.88 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.08 0.88 0.00 0.00 96 R 8.57 4.53 0.00 1.97 1.85 0.00 3.23 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 97 L 8.29 4.67 0.00 1.59 1.38 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.54 5.00 0.00 2.85 2.76 0.00 0.00 7.24 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 99 E 8.77 3.94 0.00 1.89 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 2.31 1.88 0.00 100 D 8.04 4.64 0.00 2.69 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 0.00 101 T 7.39 4.51 4.31 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 1.21 0.00 0.00 102 I 7.69 3.78 1.86 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 1.38 0.58 0.89 0.00 0.00 103 Q 7.96 3.99 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 104 D 8.01 4.57 0.00 2.84 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 0.00 105 V 7.86 3.54 2.17 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 0.87 0.00 0.00 0.91 0.00 0.00 106 V 8.12 3.68 2.17 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 0.90 0.00 0.00 0.95 0.00 0.00 107 Q 8.23 3.97 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 108 A 8.21 4.14 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 0.00 109 A 8.38 3.91 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 0.00 110 D 8.03 4.15 0.00 2.89 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 0.00 111 L 7.63 3.80 0.00 2.04 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.83 4.50 0.00 1.68 1.81 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.48 3.67 0.00 1.90 1.79 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.02 4.41 0.00 1.62 1.63 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.98 3.89 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 1.23 0.00 0.00 116 D 8.05 4.44 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 0.00 117 L 7.84 3.63 0.00 1.24 1.65 0.15 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.98 3.83 0.00 2.05 1.95 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.36 7.81 119 T 7.77 3.88 4.36 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 1.21 0.00 0.00 120 L 7.86 3.97 0.00 1.76 1.86 0.96 0.94 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 0.00 121 C 7.93 4.27 0.00 3.12 2.91 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 0.00 122 C 8.14 4.27 0.00 2.94 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 0.00 123 E 7.90 4.13 0.00 2.01 1.87 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 2.26 2.22 0.00 *124 F 7.62 4.94 0.00 2.61 2.29 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 0.00 125 L 7.42 4.31 0.00 1.67 1.47 0.91 0.90 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 * Residues marked with a * may have inaccurate shift predictions.