NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5814 8.1933 115.4138 57.6299 64.5377 174.3059 2 L 4.2010 8.2510 121.8963 57.6692 41.3124 178.6989 3 L 4.0320 8.4393 119.3222 57.9338 41.7860 179.1212 4 E 4.0861 8.0486 117.9337 59.2996 29.4836 178.9050 5 F 4.7513 8.5876 120.8985 61.4069 39.3515 177.4153 6 G 3.4907 8.8112 105.8808 47.5840 0.0000 175.3533 7 K 4.2728 7.9685 119.5574 58.1548 32.9950 178.6100 8 M 4.4131 7.8474 120.1683 58.7924 32.2513 177.9440 9 I 3.6743 7.6134 120.0440 64.2428 37.3121 178.1920 10 L 4.6072 7.6319 122.5987 57.4282 41.6446 178.8768 11 E 4.0438 7.6448 117.0491 59.1551 29.4840 178.6428 12 E 4.2013 8.0005 117.5507 58.9116 29.8709 178.3365 13 T 4.3464 8.3517 108.3392 61.4166 70.1927 176.0134 14 G 3.8108 7.7954 109.4088 45.1943 0.0000 173.0184 *16 K 4.5377 7.4988 117.5394 56.1492 33.1167 174.5960 17 L 4.5242 8.1775 120.8850 53.9243 42.6639 177.2975 18 A 3.8645 8.5452 127.0777 55.5159 18.6146 176.8762 19 I 4.3086 7.3360 115.0524 61.4373 38.1737 172.8671 20 P 4.7377 0.0000 0.0000 63.3769 28.8272 175.1891 21 S 4.2860 7.4031 112.1026 60.5894 62.4073 174.7760 22 Y 4.6418 8.3365 115.1763 57.2416 39.5678 177.6197 23 S 4.0006 8.0751 115.0823 60.8783 63.1368 175.7946 24 S 5.0472 7.5824 116.1018 57.3661 63.1035 172.9662 25 Y 4.3255 8.4395 122.5689 59.2904 40.0850 175.1443 26 G 3.3617 7.8034 116.1047 47.2300 0.0000 173.5245 27 C 4.5383 8.8592 114.8655 57.7610 41.1752 174.4804 28 Y 4.4049 8.1758 114.7069 57.8376 39.5443 175.0647 29 C 4.4706 8.1863 119.0654 58.0822 40.4701 173.9626 30 G 3.7651 8.1939 113.2278 44.8823 0.0000 172.7329 31 W 3.5909 7.3497 113.1940 57.8159 26.5040 173.0705 32 G 4.2813 7.5740 112.8648 45.1704 0.0000 170.9559 33 G 4.4628 7.9187 110.1282 45.5056 0.0000 173.0438 34 K 4.6904 7.8931 118.2202 54.8546 35.8099 175.9765 35 G 3.7999 9.3604 107.4955 45.4821 0.0000 172.9431 36 T 4.3561 7.8669 114.9999 61.3433 69.0384 173.1121 37 P 4.3385 0.0000 0.0000 62.4099 31.9400 176.5018 38 K 3.8837 9.8975 125.0144 58.8810 32.5375 176.2044 39 D 4.5046 7.2522 116.8558 51.5696 41.5447 174.9104 40 A 3.9556 8.8791 119.2540 56.2408 18.9100 179.5279 41 T 4.1223 8.0511 113.7794 67.1520 68.5869 176.0426 42 D 4.5393 9.0480 120.0312 57.5393 41.1315 178.5192 43 R 4.0512 8.1168 118.5050 59.2680 29.8822 178.3812 44 C 4.2700 8.1746 116.5010 59.9716 40.9882 175.3675 45 C 4.2586 8.3123 117.8557 59.8696 38.5880 175.4212 46 F 3.7863 8.2099 122.2157 61.3546 38.9607 177.2183 47 V 3.1153 8.0604 117.8137 66.2320 31.2996 177.5869 48 H 3.9157 8.3643 118.1429 59.1787 29.6124 177.0530 49 D 4.3790 7.9614 120.8477 57.4017 40.4264 178.0630 50 C 4.2245 7.5161 116.3299 59.6099 34.4899 175.0996 51 C 4.3090 7.9246 120.3929 59.9395 39.7827 175.2336 52 Y 4.2285 8.1015 118.5224 60.9576 37.2355 178.4964 53 G 3.8046 8.1602 105.1107 46.3978 0.0000 174.1445 54 N 5.0189 7.5820 117.5147 52.5926 41.1136 175.2555 55 L 4.8250 7.3529 116.0650 52.9025 42.1446 175.2880 56 P 4.1928 0.0000 0.0000 65.4903 32.1002 178.5707 *59 D 4.7284 7.8541 114.6886 53.2625 41.3096 175.3912 *61 C 4.9698 7.5377 116.4246 57.5232 42.5842 172.6911 *67 N 5.0698 7.9610 116.2108 52.3427 38.7377 173.2804 68 P 3.8575 0.0000 0.0000 65.5154 31.9246 178.4275 69 K 4.3540 7.9214 116.2642 57.9387 32.4395 178.5511 70 S 4.4498 7.7599 111.5118 58.7823 65.0190 174.3498 71 D 4.3510 8.1507 121.0930 54.0804 41.2667 175.5081 72 R 4.4316 8.7737 125.6360 54.8776 30.9176 175.3105 73 Y 4.9088 7.8455 119.9523 54.8881 41.2974 174.2481 74 K 4.8953 8.5552 121.2398 55.0705 34.7023 174.2358 75 Y 5.4794 8.2090 123.3499 55.7373 41.1324 173.5479 76 K 4.6685 9.4467 119.8041 55.3282 36.9946 174.8944 77 R 5.1120 8.5941 119.3245 54.6591 31.8978 176.0464 78 V 4.0722 9.1309 125.4173 61.8394 32.6318 175.2640 79 N 4.0810 9.7673 128.0019 54.8009 37.0488 174.5882 80 G 3.9006 8.3544 101.8625 45.6214 0.0000 172.7882 81 A 4.8622 7.8382 121.8701 49.6688 21.9095 176.4524 82 I 4.3751 8.3599 122.4995 61.3212 38.1531 175.7292 83 V 4.3985 9.3367 126.7476 61.1794 34.5032 173.6391 84 C 4.9103 8.9008 126.0180 56.4444 40.5125 173.6855 85 E 4.3728 8.7245 123.8947 56.0137 30.4512 177.0510 86 K 4.7816 7.9616 120.5075 55.5354 33.9185 176.2972 *88 G 4.6410 8.3967 110.2144 45.5059 0.0000 173.6516 89 T 4.2748 8.4470 116.2973 60.6555 71.3913 175.3469 90 S 4.0642 8.4899 114.6480 61.7652 62.1699 176.5575 91 C 4.2053 8.0801 118.4816 60.2396 37.1253 175.5419 92 E 3.9098 8.1013 119.7499 59.8224 28.9156 179.5714 93 N 4.2449 8.0662 115.9908 56.3560 38.8015 177.8195 94 R 3.8870 7.8324 119.2605 58.9911 30.0463 179.2257 95 I 3.5605 7.9506 120.0682 64.4514 37.1291 177.4045 96 C 3.0889 7.4663 119.1813 59.6036 43.3811 175.6006 97 E 3.8051 7.8466 119.6398 59.3623 29.0411 178.7711 98 C 4.1967 7.8559 116.2930 60.1525 41.4322 175.8910 99 D 3.9383 8.1356 120.5439 57.0327 40.3241 178.7888 100 K 3.8439 8.4016 120.3939 59.3991 32.1940 178.7488 101 A 3.8716 7.9887 120.8381 54.9684 18.1748 179.5465 102 A 3.4941 7.8157 118.8153 54.9360 18.5563 179.6243 103 A 3.8863 7.9631 119.2050 55.5201 18.5366 179.7936 104 I 3.6259 7.7666 118.2579 64.6291 37.2604 177.8247 105 C 4.3952 7.8750 120.4288 59.1413 43.2468 175.2717 106 F 4.4677 7.6224 118.2840 60.9287 38.7431 177.4981 107 R 4.0835 7.9772 117.4306 59.8126 29.8880 178.4733 108 Q 4.0838 8.1461 117.5263 58.1188 28.5478 178.0103 109 N 5.1183 7.7404 115.5626 52.8575 39.6146 176.3015 110 L 4.0960 8.3196 122.5170 58.0763 41.6828 179.0182 111 N 4.5742 8.2789 112.6715 54.4436 37.0620 175.0033 112 T 4.5576 7.7953 107.6441 61.1906 69.8313 173.4376 113 Y 3.9459 8.5445 125.8162 58.0318 39.2299 174.5458 114 S 4.7394 8.6863 122.0244 56.0184 64.3917 174.7323 115 K 4.0064 8.7933 127.5601 59.2798 32.0365 178.7665 116 K 3.5718 7.2292 118.4040 58.7656 32.0968 176.4725 117 Y 4.5791 7.5247 114.6510 57.7201 38.7244 175.5652 118 M 4.3038 7.7960 120.6955 56.1678 32.6134 175.8296 119 L 3.6714 8.4606 119.6641 55.8264 39.4980 174.4660 120 Y 4.0965 7.5850 118.5650 56.4623 39.5689 172.8467 121 P 4.1723 0.0000 0.0000 62.7825 31.2220 176.3490 122 D 4.2942 8.7891 124.9826 57.3446 41.1643 179.1741 *124 F 4.8435 8.0399 119.0412 58.2340 40.7369 175.9543 125 L 3.6923 7.6774 117.9609 56.5225 41.4525 176.3421 126 C 4.6432 7.8271 117.1986 55.4415 40.5566 173.2168 127 K 4.5596 8.5924 123.9293 55.5764 35.1501 177.0287 128 G 3.9271 8.9516 108.9154 45.6571 0.0000 171.8351 129 E 4.7437 8.3124 121.4027 53.8555 30.7073 175.4559 130 L 4.3186 8.4565 128.4398 54.2782 42.9532 176.4643 131 K 4.1134 8.3456 123.9834 56.6207 32.9161 178.0466 *133 C 4.8696 8.5256 117.8018 57.5169 41.5361 173.8508 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 S 8.19 4.58 0.00 4.05 4.16 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 0.00 0.00 0.00 0.00 2 L 8.25 4.20 0.00 1.93 2.00 1.47 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.44 4.03 0.00 1.81 1.73 0.97 0.86 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 4 E 8.05 4.09 0.00 1.81 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 1.72 2.33 0.00 5 F 8.59 4.75 0.00 3.45 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.81 3.49 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 0.00 0.00 0.00 0.00 7 K 7.97 4.27 0.00 2.06 2.12 0.00 1.36 0.00 0.00 1.61 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.62 7.81 8 M 7.85 4.41 0.00 2.32 2.40 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 9 I 7.61 3.67 1.80 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.18 0.50 0.00 0.00 10 L 7.63 4.61 0.00 1.77 1.66 0.95 0.86 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 11 E 7.64 4.04 0.00 2.27 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 0.00 2.41 2.81 0.00 12 E 8.00 4.20 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 13 T 8.35 4.35 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 14 G 7.80 3.81 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 0.00 0.00 0.00 *16 K 7.50 4.54 0.00 1.87 1.65 0.00 1.41 0.00 0.00 1.11 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 1.28 7.81 17 L 8.18 4.52 0.00 1.85 1.58 0.91 0.80 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 18 A 8.55 3.86 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 19 I 7.34 4.31 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.94 0.00 0.00 20 P 0.00 4.74 0.00 2.08 2.52 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 21 S 7.40 4.29 0.00 3.82 3.19 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 22 Y 8.34 4.64 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.08 4.00 0.00 4.05 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 24 S 7.58 5.05 0.00 3.85 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 25 Y 8.44 4.33 0.00 2.94 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 26 G 7.80 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 27 C 8.86 4.54 0.00 2.77 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 28 Y 8.18 4.40 0.00 3.08 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 29 C 8.19 4.47 0.00 3.37 3.38 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 30 G 8.19 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 31 W 7.35 3.59 0.00 3.70 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.57 4.28 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 0.00 33 G 7.92 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 0.00 0.00 0.00 0.00 34 K 7.89 4.69 0.00 1.67 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.45 7.81 35 G 9.36 3.80 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 0.00 0.00 0.00 36 T 7.87 4.36 4.20 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 1.14 0.00 0.00 37 P 0.00 4.34 0.00 1.90 1.98 0.00 3.46 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 1.37 1.88 0.00 38 K 9.90 3.88 0.00 0.79 0.74 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.00 0.21 7.81 39 D 7.25 4.50 0.00 2.88 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 40 A 8.88 3.96 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 41 T 8.05 4.12 4.14 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 0.98 0.00 0.00 42 D 9.05 4.54 0.00 2.95 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 43 R 8.12 4.05 0.00 2.13 2.01 0.00 3.17 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 44 C 8.17 4.27 0.00 3.18 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 45 C 8.31 4.26 0.00 3.34 3.43 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 46 F 8.21 3.79 0.00 2.56 3.02 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 47 V 8.06 3.12 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 0.80 0.00 0.00 0.98 0.00 0.00 48 H 8.36 3.92 0.00 3.07 3.33 0.00 5.64 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 D 7.96 4.38 0.00 3.06 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 50 C 7.52 4.22 0.00 2.77 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 51 C 7.92 4.31 0.00 3.04 3.09 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 52 Y 8.10 4.23 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.16 3.80 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 0.00 0.00 0.00 54 N 7.58 5.02 0.00 2.81 2.79 0.00 0.00 6.72 7.84 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 55 L 7.35 4.82 0.00 1.59 1.47 0.97 0.81 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 56 P 0.00 4.19 0.00 2.16 2.09 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 *59 D 7.85 4.73 0.00 2.82 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 *61 C 7.54 4.97 0.00 2.93 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 *67 N 7.96 5.07 0.00 2.73 2.77 0.00 0.00 7.58 8.03 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 68 P 0.00 3.86 0.00 1.29 0.53 0.00 3.45 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 69 K 7.92 4.35 0.00 1.75 1.82 0.00 1.21 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.64 1.33 7.81 70 S 7.76 4.45 0.00 3.92 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 71 D 8.15 4.35 0.00 2.73 2.66 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 72 R 8.77 4.43 0.00 1.82 1.79 0.00 3.38 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 73 Y 7.85 4.91 0.00 3.03 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 74 K 8.56 4.90 0.00 1.96 1.75 0.00 1.60 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 75 Y 8.21 5.48 0.00 3.20 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 76 K 9.45 4.67 0.00 1.78 1.89 0.00 1.28 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 77 R 8.59 5.11 0.00 1.75 1.97 0.00 3.52 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 78 V 9.13 4.07 2.11 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 1.05 0.00 0.00 0.96 0.00 0.00 79 N 9.77 4.08 0.00 2.83 2.81 0.00 0.00 7.26 7.98 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 80 G 8.35 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 0.00 0.00 0.00 81 A 7.84 4.86 1.24 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 0.00 0.00 82 I 8.36 4.38 1.83 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 1.24 0.58 0.73 0.00 0.00 83 V 9.34 4.40 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 1.01 0.00 0.00 84 C 8.90 4.91 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.72 4.37 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 86 K 7.96 4.78 0.00 1.79 1.72 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.34 7.81 *88 G 8.40 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.45 4.27 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 1.22 0.00 0.00 90 S 8.49 4.06 0.00 3.89 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 91 C 8.08 4.21 0.00 2.99 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 92 E 8.10 3.91 0.00 2.09 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 0.00 2.53 2.41 0.00 93 N 8.07 4.24 0.00 2.88 2.80 0.00 0.00 6.99 7.29 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 94 R 7.83 3.89 0.00 1.82 1.90 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 95 I 7.95 3.56 1.82 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 1.19 0.72 0.93 0.00 0.00 96 C 7.47 3.09 0.00 1.85 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 97 E 7.85 3.81 0.00 2.09 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 0.00 2.50 2.42 0.00 98 C 7.86 4.20 0.00 3.27 3.02 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 99 D 8.14 3.94 0.00 2.92 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 0.00 100 K 8.40 3.84 0.00 1.64 1.88 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 101 A 7.99 3.87 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 0.00 102 A 7.82 3.49 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 0.00 103 A 7.96 3.89 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 0.00 104 I 7.77 3.63 1.85 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 1.38 0.72 0.88 0.00 0.00 105 C 7.88 4.40 0.00 2.90 3.02 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 0.00 106 F 7.62 4.47 0.00 3.13 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 0.00 107 R 7.98 4.08 0.00 1.92 2.15 0.00 3.29 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 108 Q 8.15 4.08 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 109 N 7.74 5.12 0.00 2.85 2.84 0.00 0.00 6.83 6.24 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 0.00 110 L 8.32 4.10 0.00 1.85 1.76 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.28 4.57 0.00 2.86 2.98 0.00 0.00 5.79 7.71 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 0.00 112 T 7.80 4.56 4.32 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 1.26 0.00 0.00 113 Y 8.54 3.95 0.00 3.03 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 0.00 114 S 8.69 4.74 0.00 3.85 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.79 4.01 0.00 1.81 1.87 0.00 2.03 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.43 7.81 116 K 7.23 3.57 0.00 1.48 1.38 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.51 1.10 7.81 117 Y 7.52 4.58 0.00 1.81 1.70 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 0.00 118 M 7.80 4.30 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 119 L 8.46 3.67 0.00 1.78 1.74 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.59 4.10 0.00 3.08 3.02 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 0.00 121 P 0.00 4.17 0.00 1.88 1.93 0.00 2.63 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 1.89 1.96 0.00 122 D 8.79 4.29 0.00 2.74 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 *124 F 8.04 4.84 0.00 2.89 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 7.68 3.69 0.00 1.55 1.66 0.67 0.67 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 0.00 126 C 7.83 4.64 0.00 2.97 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 0.00 127 K 8.59 4.56 0.00 1.62 1.61 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.13 1.16 7.81 128 G 8.95 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 0.00 0.00 0.00 129 E 8.31 4.74 0.00 1.98 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 0.00 2.25 2.40 0.00 130 L 8.46 4.32 0.00 1.70 1.62 0.85 0.65 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 0.00 131 K 8.35 4.11 0.00 1.87 1.77 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.43 7.81 *133 C 8.53 4.87 0.00 2.96 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.