NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2822 8.1733 120.1223 57.4073 34.5882 178.1715 6 H 3.7371 7.8986 115.7939 58.6181 28.6345 175.7802 7 T 3.8447 8.6678 118.2369 66.8110 68.8406 176.3363 8 E 3.9480 8.0977 119.8414 59.0316 29.2920 179.3969 9 L 3.8400 8.1074 119.6689 58.0093 41.8046 179.7581 10 R 3.9176 7.9688 117.7095 58.8794 29.8443 179.0966 11 A 3.8793 8.2068 120.6542 55.1544 18.4405 179.3335 12 A 3.8216 7.8627 119.3131 55.4163 18.3356 180.1416 13 V 3.5036 7.5405 116.5455 66.0156 31.7665 178.2659 14 L 3.8933 8.3469 119.0738 57.8140 41.5228 179.2011 15 D 4.1772 8.7132 118.9676 57.4686 40.9165 178.7979 16 A 4.0120 7.7330 120.5601 55.1445 17.7510 179.5681 17 L 4.2058 7.7152 117.0522 57.6096 41.5561 179.3047 18 E 3.9581 7.7198 120.2586 59.4081 29.4301 179.6250 19 K 4.1348 7.6929 123.0795 60.5916 31.9004 180.5275 20 H 4.1333 8.0960 119.0290 57.3162 29.8053 174.9063 21 D 5.0015 7.2339 120.3434 52.0135 42.2354 178.6006 22 T 4.6800 8.4312 113.6320 62.1690 68.6736 174.4431 23 G 4.1434 8.1138 108.7120 46.4617 0.0000 173.0265 24 A 4.9318 7.8961 119.2723 50.2408 22.9980 176.6818 25 T 4.3503 8.4591 116.4734 62.2871 69.8863 174.1787 26 F 5.2229 8.7847 125.7720 56.4602 40.6609 175.4658 27 F 4.6910 9.7488 121.7002 55.7776 42.3001 174.1941 28 D 4.6868 8.7390 123.5712 55.7130 40.5983 175.7057 29 G 4.1002 8.8797 112.4372 44.1423 0.0000 171.6292 30 R 3.7199 7.8044 120.8933 54.4976 30.1827 174.8232 31 P 4.0867 0.0000 0.0000 62.3652 32.1585 175.5287 32 A 4.3426 8.0467 123.3096 53.2505 20.6953 178.4257 33 V 4.4713 7.0655 111.0068 58.8985 35.0542 177.1308 34 F 4.5619 8.9667 124.7357 55.4868 41.7430 174.8945 35 D 4.9388 8.7216 122.8599 51.8979 41.2972 177.4021 36 E 3.8325 8.9568 119.8108 57.4496 29.8143 175.4121 37 A 4.7255 7.7268 117.4515 52.9338 19.8134 176.9055 38 D 4.5319 8.5478 116.5864 55.1665 41.3680 176.8320 39 F 4.6397 7.4259 118.4806 56.1714 40.0763 173.4792 40 P 4.6774 0.0000 0.0000 62.4508 32.3597 175.1246 41 A 5.3079 8.8033 125.0928 50.1885 22.5800 175.4236 42 V 5.0776 8.8206 119.1620 61.1110 35.1168 174.1716 43 A 5.5382 9.9085 129.6124 50.1981 22.4922 174.7266 44 V 5.0417 8.7168 121.7814 61.3465 34.4456 174.1937 45 Y 5.0703 8.4164 124.7060 56.3798 41.8979 173.0584 46 L 5.5166 8.6357 118.5925 53.3011 45.1932 176.3436 47 T 4.6258 8.5038 111.2489 60.5922 72.7531 174.2993 48 G 3.9669 9.1212 108.8133 46.1890 0.0000 173.4253 49 A 4.8342 8.2194 121.6215 52.2156 18.8849 177.6001 50 E 4.5658 9.9163 120.4653 54.4801 33.5553 174.3585 51 Y 2.8575 7.3392 122.9522 57.4466 39.3209 175.3201 52 T 4.1679 7.8958 114.0370 60.4335 70.4153 172.5288 53 G 3.6682 5.4097 110.2467 44.4554 0.0000 173.0965 54 E 5.0348 8.5443 117.9714 55.1600 31.4090 175.4268 55 E 4.5947 9.2978 122.1842 55.7197 30.4137 176.4334 56 L 3.8512 8.4218 120.1920 56.3221 39.1776 177.8096 57 D 4.7760 7.9036 116.0203 55.4705 42.9149 180.7887 58 S 4.7379 7.4294 113.7902 58.8364 67.2107 177.5371 59 D 5.4102 8.5201 116.9021 55.2961 42.3050 176.1804 60 T 4.8953 9.2292 115.6697 60.4536 71.0797 173.9792 61 W 5.0143 9.5206 124.3585 54.8937 34.0202 173.8299 62 Q 5.2536 8.9702 120.6989 55.0144 32.2551 173.3410 63 A 5.1085 9.2681 126.2812 50.8412 23.9627 174.0858 64 E 4.8843 9.4257 120.8168 54.6491 31.6043 174.4705 65 L 4.7657 8.9911 130.5404 54.3933 43.6548 174.6962 66 H 5.1331 9.0568 124.1777 54.0855 31.6646 174.1199 67 I 4.9293 8.7991 122.8169 59.7360 40.3392 173.5361 68 E 5.0627 9.5923 129.4347 54.0273 32.2045 174.7342 69 V 4.6848 7.8887 125.9348 59.9993 33.9609 174.5513 70 F 5.0050 9.6287 124.4411 55.6701 41.8167 174.5699 71 L 4.8185 8.6347 121.4455 51.9168 46.5254 174.0446 72 P 4.1961 0.0000 0.0000 62.7475 31.9584 177.3901 73 A 3.8261 8.7756 127.5251 56.2831 18.2567 180.0396 74 Q 4.1462 7.8413 111.5328 56.7833 28.6035 178.8452 75 V 3.8201 7.0635 110.0026 61.2437 32.2640 174.4845 76 P 4.3602 0.0000 0.0000 62.3376 32.1044 177.2732 77 A 4.0006 8.5870 121.9011 55.4748 17.9857 180.3540 78 S 4.1893 8.0632 113.4779 61.5959 62.9020 176.1515 79 E 4.0303 8.4165 122.4122 59.1011 29.1363 178.9296 80 L 4.0608 7.9027 117.6290 58.0533 41.9634 178.5225 81 D 4.8736 8.3372 118.3689 56.9406 41.1011 178.5793 82 A 4.2910 8.5312 121.4069 54.7567 18.3178 179.6072 83 W 3.8120 8.0427 123.0425 58.3634 30.2379 177.1859 *85 E 4.5456 8.0831 119.7203 55.4410 30.6837 176.6158 86 S 4.5529 8.0944 111.3324 58.9881 63.9869 174.8897 87 R 4.3974 7.8822 117.1829 55.7237 31.9622 176.0688 88 I 4.3582 7.6799 116.9226 63.1792 39.1512 177.3308 89 Y 4.3555 8.1139 115.8694 60.7604 37.8372 176.0901 90 P 4.4178 0.0000 0.0000 65.5570 31.8009 176.8162 91 V 3.9095 7.7383 119.6499 64.1076 31.3508 178.4667 *93 S 4.3830 8.2716 118.7793 58.1918 64.2779 177.1990 94 D 4.4389 7.8410 118.0967 51.7483 42.0755 178.3336 95 I 4.5212 7.9185 127.0413 56.5240 38.5397 173.9288 96 P 4.1841 0.0000 0.0000 65.9948 30.8654 177.8664 97 A 3.9394 8.0362 118.9172 54.6973 18.3808 179.0584 98 L 4.0242 7.8908 120.3519 59.1897 41.9877 179.5138 99 S 4.2387 8.3075 118.9599 63.8720 61.7923 178.3139 100 D 4.3957 8.3020 120.6329 57.0329 40.6307 178.1760 101 L 4.3239 8.1715 118.8499 54.8084 42.0569 176.3534 102 I 4.6523 6.7702 111.1026 59.2799 40.0392 175.3240 103 T 4.3989 8.4127 109.8758 61.0857 69.5962 174.0459 104 S 4.4398 7.5031 115.8815 58.1694 65.3606 175.3266 *106 V 4.3403 7.5275 118.3359 61.2830 32.5282 174.9963 107 A 3.8322 9.0016 125.2731 53.0771 18.3950 175.1602 108 S 4.5132 8.9605 113.0837 58.6794 64.6567 175.3666 109 G 4.2158 8.5234 104.1121 45.3329 0.0000 169.9941 110 Y 4.5891 8.3774 120.1240 56.6180 40.9765 172.8278 111 D 4.9019 8.4253 126.7723 52.5377 43.9561 175.1229 112 Y 4.8395 8.4510 119.8413 56.8943 39.1965 175.1450 113 R 4.8638 9.1693 122.8841 54.4027 34.5902 174.2282 114 R 4.4206 8.1735 119.3402 54.7423 34.1706 174.8635 115 D 3.5150 7.0527 123.2335 52.5903 39.4286 176.8930 116 D 4.2157 8.2223 126.5579 56.2923 39.8364 177.3998 117 D 4.4903 7.6661 116.5449 54.9293 40.3021 180.4515 118 A 4.4632 8.0692 122.1672 50.9376 20.2067 176.9579 119 G 3.7415 7.8835 106.0820 47.0600 0.0000 175.5093 120 L 4.3610 8.5681 120.6172 54.5080 41.4982 178.2615 121 W 5.3512 6.8653 112.5824 56.0453 32.1959 173.3701 122 S 5.0681 9.7989 113.9463 57.0434 65.7892 172.5852 123 S 4.9621 9.3369 118.6887 57.1320 67.1892 172.4855 124 A 4.5575 8.0581 121.9538 49.9923 21.7134 174.5625 125 D 4.6102 8.6493 123.6260 52.4817 43.1634 174.6616 126 L 4.8350 8.3322 129.6453 54.0511 43.6909 175.4006 127 T 5.7080 8.2566 115.4041 59.0628 72.3485 172.4109 128 Y 5.1488 8.3857 119.7236 56.3150 42.5503 174.2006 129 V 4.6084 8.8687 123.4798 61.8179 32.7926 175.2243 130 I 5.1402 8.7829 121.0535 59.3033 41.1535 174.3361 131 T 5.3493 8.3238 113.3994 60.5364 71.7526 172.2541 132 Y 4.9542 8.3722 121.9999 57.4459 41.9682 174.8025 133 E 5.2492 8.8730 114.5438 55.5498 30.0743 176.6525 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 5 K 8.17 4.28 0.00 1.82 1.84 0.00 1.68 0.00 0.00 1.98 0.00 0.00 3.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.85 7.81 6 H 7.90 3.74 0.00 3.20 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.67 3.84 4.22 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 1.19 0.00 0.00 8 E 8.10 3.95 0.00 2.08 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 2.37 2.37 0.00 9 L 8.11 3.84 0.00 1.71 1.55 0.26 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 R 7.97 3.92 0.00 1.87 1.99 0.00 3.40 0.00 0.00 3.21 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 11 A 8.21 3.88 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 12 A 7.86 3.82 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 13 V 7.54 3.50 2.18 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 1.04 0.00 0.00 0.92 0.00 0.00 14 L 8.35 3.89 0.00 1.80 1.57 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.71 4.18 0.00 2.72 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 16 A 7.73 4.01 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 17 L 7.72 4.21 0.00 1.77 1.99 1.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.72 3.96 0.00 1.72 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 1.47 1.68 0.00 19 K 7.69 4.13 0.00 1.89 1.73 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 20 H 8.10 4.13 0.00 3.37 3.37 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.23 5.00 0.00 2.76 2.42 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 22 T 8.43 4.68 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 1.26 0.00 0.00 23 G 8.11 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 0.00 0.00 0.00 0.00 24 A 7.90 4.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.46 4.35 4.44 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 0.99 0.00 0.00 26 F 8.78 5.22 0.00 2.87 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 27 F 9.75 4.69 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 28 D 8.74 4.69 0.00 2.69 2.63 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 29 G 8.88 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.80 3.72 0.00 0.67 1.23 0.00 2.83 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.00 31 P 0.00 4.09 0.00 0.68 1.00 0.00 3.29 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.44 0.00 32 A 8.05 4.34 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 33 V 7.07 4.47 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 0.83 0.00 0.00 0.93 0.00 0.00 34 F 8.97 4.56 0.00 2.66 2.42 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 35 D 8.72 4.94 0.00 2.59 2.52 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 0.00 36 E 8.96 3.83 0.00 1.97 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 2.24 1.92 0.00 37 A 7.73 4.73 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 38 D 8.55 4.53 0.00 2.40 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 39 F 7.43 4.64 0.00 3.04 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 40 P 0.00 4.68 0.00 1.19 0.98 0.00 3.61 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.09 0.00 41 A 8.80 5.31 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 42 V 8.82 5.08 1.61 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 1.03 0.00 0.00 0.78 0.00 0.00 43 A 9.91 5.54 1.50 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 44 V 8.72 5.04 2.20 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 1.06 0.00 0.00 1.08 0.00 0.00 45 Y 8.42 5.07 0.00 3.12 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 46 L 8.64 5.52 0.00 1.50 1.58 0.69 0.65 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 47 T 8.50 4.63 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 1.34 0.00 0.00 48 G 9.12 3.97 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 0.00 0.00 0.00 49 A 8.22 4.83 1.61 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 0.00 0.00 50 E 9.92 4.57 0.00 1.80 2.00 0.00 0.00 0.00 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 2.18 0.00 51 Y 7.34 2.86 0.00 1.81 2.37 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 52 T 7.90 4.17 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 1.02 0.00 0.00 53 G 5.41 3.67 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 0.00 0.00 0.00 54 E 8.54 5.03 0.00 1.99 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 2.16 1.85 0.00 55 E 9.30 4.59 0.00 1.82 1.92 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 2.16 2.10 0.00 56 L 8.42 3.85 0.00 1.82 1.67 0.92 0.90 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 57 D 7.90 4.78 0.00 2.67 2.52 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 0.00 58 S 7.43 4.74 0.00 3.35 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 59 D 8.52 5.41 0.00 2.93 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 60 T 9.23 4.90 4.13 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 1.16 0.00 0.00 61 W 9.52 5.01 0.00 2.07 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 62 Q 8.97 5.25 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 63 A 9.27 5.11 1.47 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 0.00 0.00 0.00 64 E 9.43 4.88 0.00 2.08 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 2.01 2.18 0.00 65 L 8.99 4.77 0.00 1.78 1.71 0.90 0.67 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 66 H 9.06 5.13 0.00 1.40 2.68 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.80 4.93 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.99 0.00 0.00 68 E 9.59 5.06 0.00 2.14 1.92 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 1.47 2.03 0.00 69 V 7.89 4.68 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 0.74 0.00 0.00 0.24 0.00 0.00 70 F 9.63 5.01 0.00 2.67 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 71 L 8.63 4.82 0.00 1.41 1.33 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.20 0.00 1.91 1.81 0.00 3.42 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.73 0.00 73 A 8.78 3.83 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 74 Q 7.84 4.15 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.89 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 75 V 7.06 3.82 2.20 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 0.88 0.00 0.00 0.95 0.00 0.00 76 P 0.00 4.36 0.00 2.22 2.17 0.00 3.71 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 2.09 1.97 0.00 77 A 8.59 4.00 1.13 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 78 S 8.06 4.19 0.00 3.91 3.97 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 79 E 8.42 4.03 0.00 2.14 2.00 0.00 0.00 0.00 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 2.44 0.00 80 L 7.90 4.06 0.00 2.02 1.82 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.34 4.87 0.00 2.96 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 82 A 8.53 4.29 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 83 W 8.04 3.81 0.00 3.71 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 *85 E 8.08 4.55 0.00 2.19 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 2.23 2.42 0.00 86 S 8.09 4.55 0.00 3.98 3.95 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 87 R 7.88 4.40 0.00 1.53 1.82 0.00 2.21 0.00 0.00 2.55 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.10 0.00 88 I 7.68 4.36 1.81 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.89 0.00 0.00 89 Y 8.11 4.36 0.00 3.05 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 90 P 0.00 4.42 0.00 2.04 2.19 0.00 3.73 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.16 0.00 91 V 7.74 3.91 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 0.98 0.00 0.00 0.92 0.00 0.00 *93 S 8.27 4.38 0.00 3.70 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 94 D 7.84 4.44 0.00 2.69 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 95 I 7.92 4.52 1.82 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 1.67 0.83 0.89 0.00 0.00 96 P 0.00 4.18 0.00 2.24 2.31 0.00 3.70 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 2.06 2.04 0.00 97 A 8.04 3.94 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 98 L 7.89 4.02 0.00 1.71 1.77 0.84 0.88 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 99 S 8.31 4.24 0.00 3.75 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 0.00 100 D 8.30 4.40 0.00 2.79 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 0.00 101 L 8.17 4.32 0.00 1.65 1.69 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 I 6.77 4.65 2.18 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 1.36 0.75 0.91 0.00 0.00 103 T 8.41 4.40 4.27 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 1.26 0.00 0.00 104 S 7.50 4.44 0.00 4.01 4.04 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 *106 V 7.53 4.34 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 0.96 0.00 0.00 0.99 0.00 0.00 107 A 9.00 3.83 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 0.00 108 S 8.96 4.51 0.00 3.83 3.70 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 0.00 109 G 8.52 4.22 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 0.00 110 Y 8.38 4.59 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.43 4.90 0.00 2.52 2.49 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 0.00 112 Y 8.45 4.84 0.00 2.88 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 0.00 113 R 9.17 4.86 0.00 1.81 1.95 0.00 3.08 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 114 R 8.17 4.42 0.00 1.62 1.56 0.00 3.11 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 115 D 7.05 3.52 0.00 1.58 1.61 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 0.00 116 D 8.22 4.22 0.00 2.74 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 0.00 117 D 7.67 4.49 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 0.00 118 A 8.07 4.46 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 G 7.88 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 0.00 0.00 0.00 120 L 8.57 4.36 0.00 1.62 1.58 0.92 0.85 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 0.00 121 W 6.87 5.35 0.00 3.29 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 0.00 122 S 9.80 5.07 0.00 3.77 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 0.00 123 S 9.34 4.96 0.00 3.10 3.41 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 0.00 124 A 8.06 4.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.65 4.61 0.00 2.60 2.37 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 0.00 126 L 8.33 4.83 0.00 1.67 1.53 0.94 0.23 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 0.00 127 T 8.26 5.71 4.04 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 0.85 0.00 0.00 128 Y 8.39 5.15 0.00 2.89 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 0.00 129 V 8.87 4.61 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 0.83 0.00 0.00 0.97 0.00 0.00 130 I 8.78 5.14 1.96 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.94 0.00 0.00 131 T 8.32 5.35 4.27 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 1.25 0.00 0.00 132 Y 8.37 4.95 0.00 3.15 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 0.00 133 E 8.87 5.25 0.00 2.00 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 2.17 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.