NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9301 8.3549 109.7318 45.8351 0.0000 173.9854 -1 S 4.1192 8.7216 115.6173 59.6451 63.8009 171.8762 0 H 4.4254 8.0326 114.3685 55.0157 31.5818 171.7171 0 F 4.3154 7.9126 116.4685 57.7157 42.1818 173.4171 3 S 5.3785 8.5878 114.3327 57.3157 66.1142 173.1063 4 I 4.8814 8.9773 113.7252 59.5983 41.0257 174.2011 5 T 5.3211 8.6146 119.4681 62.0382 71.8754 173.6503 6 V 4.6133 8.8565 117.8690 59.5155 35.8127 174.3802 7 R 5.0307 8.6509 123.6747 54.8912 31.8396 174.1358 8 D 5.2628 9.1844 125.6722 53.5050 45.2356 173.2123 9 H 5.1521 8.4966 112.0776 54.9662 31.1300 173.4378 10 I 4.8631 8.7812 113.8943 58.6770 40.9163 173.9605 *12 I 4.3314 8.3139 113.4204 61.3054 39.4759 174.4418 13 A 5.1577 8.2047 124.2172 50.8573 22.1099 175.1765 14 H 4.9466 8.4740 114.5762 55.1987 32.3499 172.4757 15 S 4.5291 8.9878 112.8344 56.6483 66.3055 173.2530 16 F 5.0204 8.3967 118.6264 55.6729 42.1522 174.6263 17 R 4.6856 9.6719 122.1727 54.4336 31.4884 174.5447 18 G 4.0726 9.0309 110.9681 43.5787 0.0000 174.3571 19 D 4.5348 8.8786 123.9164 55.5149 39.7924 178.8045 20 V 3.5102 7.7027 118.9315 64.3692 31.4352 177.0152 21 F 4.4715 8.3120 118.2307 57.4372 40.6153 177.4639 22 G 3.8796 7.8707 110.3111 45.8411 0.0000 176.0739 23 P 4.3013 0.0000 0.0000 64.8531 31.4217 177.3620 24 A 4.1415 8.1920 121.2447 53.3694 18.3837 179.0933 25 Q 4.9309 7.9616 114.6508 57.8176 29.0303 177.3249 26 R 4.1786 7.6605 116.5024 55.0661 30.8014 176.0233 27 L 4.1789 8.2839 122.8940 55.4853 42.8695 175.8415 28 H 4.7114 8.7369 122.5409 55.1802 30.6847 171.0209 29 G 4.4946 8.3427 104.8972 46.6465 0.0000 171.8900 30 A 4.5485 8.3176 119.7041 51.0019 22.7082 176.1762 31 T 4.4144 8.1760 116.8272 62.0562 70.7825 173.6156 32 F 5.2209 8.8279 126.0807 55.6557 41.3509 175.1550 33 L 4.5936 8.9045 125.0551 54.6001 43.0522 176.1939 34 V 4.7050 9.1474 124.2389 61.3733 33.9956 173.8000 35 D 5.4534 9.3081 128.9595 52.5965 43.2964 175.1866 36 A 4.8687 8.9597 126.4072 50.4548 21.3539 175.1790 37 T 4.9805 8.7775 120.1383 61.8431 71.2331 173.5815 38 F 5.2844 9.4417 125.6857 55.5344 41.9990 174.7311 39 R 6.0085 9.0292 119.8169 54.6625 32.4451 174.6043 40 R 4.9401 8.4983 116.5657 55.0679 32.1712 174.8733 41 E 4.3614 9.0362 119.7153 58.5998 29.9934 177.5206 42 Q 4.8364 7.7583 115.3583 53.5484 32.4231 175.1036 43 L 3.8035 7.9984 121.2756 54.4410 42.3903 177.1693 44 D 4.6697 8.5018 121.8916 52.5112 40.8611 176.7878 45 E 3.9705 8.5564 117.3730 58.8313 29.4194 177.5649 46 D 4.5437 8.2466 117.3266 53.7918 41.1919 175.9612 47 N 4.2674 8.3955 117.3374 54.2717 37.7041 173.2843 48 I 4.6010 7.4428 107.6580 58.1342 41.0506 176.2960 49 V 3.5380 8.3343 120.4970 65.4913 31.6073 176.4317 50 V 4.1660 7.0669 114.7407 58.9470 33.5163 172.5997 51 D 4.2378 8.4530 120.8509 54.9385 41.7097 177.2818 52 I 3.7416 8.3946 129.2061 64.1151 37.1818 178.5297 53 G 3.6147 8.0932 106.2477 47.9685 0.0000 175.6455 54 L 4.0127 8.0954 121.4890 57.0343 41.4922 179.4521 55 A 3.8024 8.0572 121.2181 55.3583 18.2524 179.8611 56 T 3.8747 8.2461 108.7717 64.7620 68.8911 176.5722 57 Q 3.9417 8.0902 122.4153 59.2166 29.1509 178.3539 58 E 4.0202 8.6458 119.9544 59.1291 29.4446 179.0955 59 L 4.1279 8.4185 120.9599 58.0780 42.1453 179.1298 60 G 3.7127 8.5452 105.9042 47.2915 0.0000 175.5031 61 A 4.0330 7.9914 122.1552 54.6546 18.1348 179.7127 62 V 3.6932 7.8728 116.7676 66.4924 31.6991 178.8509 63 V 3.8982 8.1507 112.0019 63.8757 31.4415 178.7656 64 G 3.6664 8.3996 105.7620 47.6143 0.0000 175.2743 65 A 4.2087 7.7083 120.4445 53.8651 18.4621 178.4429 66 L 4.5770 7.7671 115.8621 54.2837 43.6740 176.6707 67 N 4.3062 7.3834 117.3974 54.6187 39.5579 174.0244 68 Y 3.7108 8.0376 119.9266 59.3650 35.7219 170.2865 69 R 4.6469 7.5410 115.6622 54.2573 34.5412 174.7162 70 N 5.0066 8.5464 119.3389 52.5962 38.8526 175.9172 71 L 4.3166 9.0058 127.8095 57.4281 41.9448 179.4176 72 D 4.4916 8.3722 117.9241 56.4790 40.7636 176.8311 73 N 4.8931 8.0990 114.9609 52.7649 39.1912 173.7989 74 E 4.4998 8.0040 119.9778 54.2687 30.7818 175.4158 75 P 4.2453 0.0000 0.0000 65.6854 31.6420 178.3788 76 D 4.1879 7.7717 116.5953 56.4576 41.0210 177.0652 77 F 5.0918 7.6449 116.4609 56.8075 39.5743 174.7106 78 A 4.1626 7.6829 124.3717 53.8978 18.2591 179.1613 79 G 3.9345 9.0378 110.6397 45.4150 0.0000 173.1551 80 V 4.2145 7.2648 118.2693 60.3706 33.8191 174.8927 81 N 4.4408 8.4414 124.3889 53.5360 38.9806 176.4052 82 T 4.2961 8.3161 118.8286 60.4999 68.1815 175.1455 83 S 4.3798 7.5220 118.5335 59.0945 65.5722 175.0237 84 T 3.5345 8.6037 119.8055 66.9241 67.9384 176.6105 85 E 3.9492 8.1045 118.8665 59.2358 29.7009 178.7358 86 F 4.0266 8.1718 121.5825 61.1219 39.4287 177.1839 87 L 3.6457 8.2552 118.6684 57.3225 41.2017 179.1492 88 A 3.8576 7.8872 120.9492 55.1981 18.2900 179.6637 89 K 3.2605 7.3041 117.6273 59.0936 32.0388 179.0497 90 V 3.3330 7.0528 118.5484 66.1315 31.3457 178.1749 91 I 3.6697 7.7903 119.2183 64.1367 36.8707 178.1405 92 A 3.9870 8.1485 121.8605 55.5459 18.2797 179.5143 93 D 4.3378 8.5240 117.6366 57.5658 40.9783 179.3138 94 R 4.0005 8.0600 118.7172 59.0728 29.9691 179.0617 95 L 4.0529 8.2333 118.8147 57.6489 41.5373 179.2732 96 A 3.9297 8.2261 120.8643 55.2248 18.1959 179.1873 97 E 3.9309 8.2639 117.6964 59.6573 29.6892 179.3568 98 R 3.9568 7.9778 117.6820 59.0458 30.1210 179.1168 99 V 3.5928 8.0294 118.2874 66.4715 31.3820 177.7835 100 H 4.5259 8.3580 114.3304 57.4263 28.5936 176.7043 101 K 4.4763 7.6257 119.2851 56.3137 33.1337 177.2256 102 G 3.8809 8.1240 108.6005 45.7530 0.0000 175.4140 103 A 4.0979 7.9506 122.6947 54.0079 18.4813 178.8602 104 L 4.4287 7.9572 114.2688 54.3115 42.2964 177.2256 105 G 4.0286 7.9788 106.0188 45.4526 0.0000 175.1487 106 E 4.0727 8.8375 119.9894 59.2169 29.4061 179.9883 107 G 3.6610 8.1488 105.0516 47.6716 0.0000 175.2175 108 A 4.0773 7.8813 122.2460 54.4694 18.1128 179.5701 109 R 4.1615 7.8595 115.8659 58.3328 30.1690 178.1534 110 G 3.8905 7.8224 103.8893 43.8889 0.0000 174.0736 111 L 4.1502 7.2418 121.1314 55.0500 42.4869 177.1112 112 A 4.2504 9.2762 124.3091 54.3598 20.2247 177.2538 113 G 4.1336 7.4139 100.4036 46.3504 0.0000 172.2120 114 L 5.3472 8.3978 118.4456 53.2783 46.4822 176.2540 115 T 4.9465 8.7117 117.9723 61.7521 72.7398 172.9611 116 V 4.8057 8.7829 125.5011 61.3489 34.5638 174.2115 117 T 5.1038 8.8639 123.9558 61.7336 71.8191 172.7263 118 L 5.2681 9.1204 126.4827 53.2970 44.7411 175.0372 119 H 5.4193 9.3915 121.8317 54.3122 30.0125 175.4541 120 E 4.5002 9.5070 122.1157 57.3476 30.3612 175.8823 121 S 4.6403 7.6269 111.6724 58.0363 65.0688 173.7907 122 H 4.5627 9.1486 114.5968 57.5564 28.5276 175.9320 123 V 4.6121 8.0767 111.3087 60.7315 33.3546 175.1419 124 A 4.5146 8.0728 123.4750 50.4477 21.8938 175.3718 125 W 5.8789 7.9276 118.4916 55.2982 31.8781 173.6552 126 A 4.9423 9.3742 121.4270 50.7317 22.4669 175.1849 127 S 5.1596 8.4666 112.4143 57.1488 66.7036 172.6731 128 Y 4.8390 9.1622 121.7150 55.9772 41.9146 173.6265 129 E 5.0087 8.2359 125.4532 54.4687 32.3065 175.3234 130 R 4.5745 8.6263 119.0410 54.3751 33.5009 174.2725 131 A 4.6700 8.4864 121.4063 51.6437 19.8042 177.7469 132 L 4.3363 8.2441 118.4807 54.9503 42.0859 176.8766 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 -2 G 8.35 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 -1 S 8.72 4.12 0.00 3.81 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 0 H 8.03 4.43 0.00 3.04 3.32 0.00 5.49 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 F 7.91 4.32 0.00 2.89 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 3 S 8.59 5.38 0.00 3.99 3.84 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 0.00 0.00 0.00 4 I 8.98 4.88 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.97 0.00 0.00 5 T 8.61 5.32 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 1.28 0.00 0.00 6 V 8.86 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 0.79 0.00 0.00 1.18 0.00 0.00 7 R 8.65 5.03 0.00 1.87 1.79 0.00 3.14 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 8 D 9.18 5.26 0.00 2.70 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 9 H 8.50 5.15 0.00 3.32 3.20 0.00 5.52 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.78 4.86 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 2.31 0.95 0.00 0.00 *12 I 8.31 4.33 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.22 0.97 0.00 0.00 13 A 8.20 5.16 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 14 H 8.47 4.95 0.00 3.01 3.24 0.00 5.23 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 15 S 8.99 4.53 0.00 3.92 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 16 F 8.40 5.02 0.00 2.36 1.45 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 17 R 9.67 4.69 0.00 1.74 1.94 0.00 3.26 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 18 G 9.03 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 0.00 0.00 0.00 0.00 19 D 8.88 4.53 0.00 2.93 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 20 V 7.70 3.51 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 -0.11 0.00 0.00 0.62 0.00 0.00 21 F 8.31 4.47 0.00 3.38 3.27 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 22 G 7.87 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 0.00 0.00 0.00 23 P 0.00 4.30 0.00 2.24 2.34 0.00 3.86 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 24 A 8.19 4.14 1.63 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 25 Q 7.96 4.93 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.89 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 26 R 7.66 4.18 0.00 1.90 1.86 0.00 3.17 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 27 L 8.28 4.18 0.00 1.54 1.56 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.74 4.71 0.00 3.27 3.33 0.00 5.33 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 29 G 8.34 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 0.00 0.00 0.00 0.00 30 A 8.32 4.55 0.40 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 31 T 8.18 4.41 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 1.25 0.00 0.00 32 F 8.83 5.22 0.00 2.96 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 33 L 8.90 4.59 0.00 1.70 1.60 0.82 0.52 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 34 V 9.15 4.71 2.12 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 0.88 0.00 0.00 1.03 0.00 0.00 35 D 9.31 5.45 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.96 4.87 1.05 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 37 T 8.78 4.98 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 1.25 0.00 0.00 38 F 9.44 5.28 0.00 2.91 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 39 R 9.03 6.01 0.00 1.99 2.03 0.00 2.76 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 40 R 8.50 4.94 0.00 1.84 1.95 0.00 3.17 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.85 0.00 41 E 9.04 4.36 0.00 2.05 2.12 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 2.50 2.37 0.00 42 Q 7.76 4.84 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 43 L 8.00 3.80 0.00 1.37 1.33 0.73 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.50 4.67 0.00 2.84 2.78 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 45 E 8.56 3.97 0.00 1.95 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 2.29 2.31 0.00 46 D 8.25 4.54 0.00 2.75 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 47 N 8.40 4.27 0.00 2.79 2.90 0.00 0.00 6.88 8.68 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 48 I 7.44 4.60 1.81 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 1.37 1.07 0.86 0.00 0.00 49 V 8.33 3.54 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 0.97 0.00 0.00 0.95 0.00 0.00 50 V 7.07 4.17 1.88 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 0.30 0.00 0.00 0.61 0.00 0.00 51 D 8.45 4.24 0.00 2.66 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 52 I 8.39 3.74 1.85 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 1.54 0.81 0.91 0.00 0.00 53 G 8.09 3.61 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 0.00 54 L 8.10 4.01 0.00 1.65 1.66 0.90 0.87 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 55 A 8.06 3.80 1.07 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 0.00 0.00 56 T 8.25 3.87 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 1.29 0.00 0.00 57 Q 8.09 3.94 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 58 E 8.65 4.02 0.00 2.06 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 2.49 2.45 0.00 59 L 8.42 4.13 0.00 1.93 1.81 0.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.55 3.71 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 0.00 0.00 0.00 61 A 7.99 4.03 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 62 V 7.87 3.69 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 1.05 0.00 0.00 1.04 0.00 0.00 63 V 8.15 3.90 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 0.77 0.00 0.00 1.02 0.00 0.00 64 G 8.40 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 65 A 7.71 4.21 1.39 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 0.00 0.00 0.00 66 L 7.77 4.58 0.00 1.78 1.79 0.96 1.28 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 67 N 7.38 4.31 0.00 3.10 2.76 0.00 0.00 7.05 7.44 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 68 Y 8.04 3.71 0.00 3.21 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 69 R 7.54 4.65 0.00 2.07 1.82 0.00 3.26 0.00 0.00 3.46 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 70 N 8.55 5.01 0.00 2.72 2.73 0.00 0.00 7.04 6.66 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 71 L 9.01 4.32 0.00 1.75 1.82 0.89 1.04 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 72 D 8.37 4.49 0.00 2.83 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 73 N 8.10 4.89 0.00 2.72 2.81 0.00 0.00 6.94 7.73 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 74 E 8.00 4.50 0.00 2.41 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 2.56 2.61 0.00 75 P 0.00 4.25 0.00 2.09 2.06 0.00 3.54 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 76 D 7.77 4.19 0.00 1.58 1.94 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 77 F 7.64 5.09 0.00 3.19 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 78 A 7.68 4.16 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 79 G 9.04 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 80 V 7.26 4.21 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 -0.08 0.00 0.00 0.91 0.00 0.00 81 N 8.44 4.44 0.00 2.62 2.55 0.00 0.00 7.02 7.54 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 82 T 8.32 4.30 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 1.01 0.00 0.00 83 S 7.52 4.38 0.00 4.17 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 84 T 8.60 3.53 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 1.11 0.00 0.00 85 E 8.10 3.95 0.00 2.17 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 0.00 2.39 2.32 0.00 86 F 8.17 4.03 0.00 3.13 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 87 L 8.26 3.65 0.00 1.52 1.41 0.78 0.46 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 88 A 7.89 3.86 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 89 K 7.30 3.26 0.00 0.79 1.25 0.00 0.88 0.00 0.00 1.12 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.89 0.52 7.81 90 V 7.05 3.33 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 1.09 0.00 0.00 0.31 0.00 0.00 91 I 7.79 3.67 1.80 0.00 0.00 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 1.44 0.34 0.90 0.00 0.00 92 A 8.15 3.99 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.52 4.34 0.00 2.68 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 94 R 8.06 4.00 0.00 2.01 1.99 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 95 L 8.23 4.05 0.00 1.91 1.82 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.23 3.93 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 97 E 8.26 3.93 0.00 2.10 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 0.00 2.34 2.39 0.00 98 R 7.98 3.96 0.00 2.14 1.98 0.00 3.32 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 99 V 8.03 3.59 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 1.05 0.00 0.00 1.08 0.00 0.00 100 H 8.36 4.53 0.00 3.30 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.63 4.48 0.00 1.87 1.93 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.44 7.81 102 G 8.12 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 0.00 0.00 0.00 103 A 7.95 4.10 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 0.00 104 L 7.96 4.43 0.00 1.54 1.52 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.98 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 0.00 0.00 0.00 106 E 8.84 4.07 0.00 1.98 2.01 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 2.39 2.32 0.00 107 G 8.15 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 0.00 108 A 7.88 4.08 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 0.00 109 R 7.86 4.16 0.00 1.94 2.04 0.00 3.34 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 110 G 7.82 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 0.00 111 L 7.24 4.15 0.00 1.78 1.71 1.05 0.80 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 0.00 112 A 9.28 4.25 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 0.00 113 G 7.41 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 0.00 0.00 0.00 0.00 114 L 8.40 5.35 0.00 1.45 1.31 0.95 1.08 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 0.00 115 T 8.71 4.95 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 1.22 0.00 0.00 116 V 8.78 4.81 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 1.03 0.00 0.00 0.89 0.00 0.00 117 T 8.86 5.10 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 0.00 118 L 9.12 5.27 0.00 1.42 1.40 0.82 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 119 H 9.39 5.42 0.00 3.11 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.51 4.50 0.00 2.33 2.57 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 2.65 2.38 0.00 121 S 7.63 4.64 0.00 4.12 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 0.00 122 H 9.15 4.56 0.00 3.35 3.48 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.08 4.61 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 0.51 0.00 0.00 0.90 0.00 0.00 124 A 8.07 4.51 1.27 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 0.00 0.00 125 W 7.93 5.88 0.00 3.20 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 0.00 126 A 9.37 4.94 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 0.00 127 S 8.47 5.16 0.00 3.92 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 0.00 128 Y 9.16 4.84 0.00 2.94 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 0.00 129 E 8.24 5.01 0.00 1.63 1.64 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 2.10 2.15 0.00 130 R 8.63 4.57 0.00 1.76 1.66 0.00 3.10 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 131 A 8.49 4.67 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 0.00 132 L 8.24 4.34 0.00 1.82 1.61 1.03 0.84 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 * Residues marked with a * may have inaccurate shift predictions.