NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3231 8.3149 122.1390 53.9868 33.4844 175.3337 3 N 4.6088 8.4954 119.0462 53.1425 39.5208 173.0371 4 T 4.6266 9.1679 119.7040 62.6449 71.2584 173.7121 5 V 4.9480 8.8205 125.2766 61.1339 35.0643 174.2204 6 V 4.6647 9.1289 128.5656 62.1385 32.8681 174.7505 7 R 5.5294 9.0705 127.1830 54.6841 33.2702 175.0899 8 I 5.2475 8.8267 114.7117 59.6676 42.1823 173.7365 9 K 4.5112 8.3803 121.0765 55.9413 35.6199 174.1541 10 A 4.7267 8.5933 127.5378 50.7013 23.5491 174.5956 11 E 5.1267 8.6424 118.9213 54.9228 30.8014 175.7252 12 L 5.1079 9.4352 125.5300 53.0276 44.0015 175.6631 13 E 4.5784 9.2222 123.9333 54.9134 32.5377 175.6841 14 N 4.3287 8.7389 124.5180 54.4496 36.5757 173.7186 15 V 4.6113 7.6616 116.0880 60.9188 33.8911 174.7327 16 K 4.3168 9.1887 129.8632 59.2407 33.0555 176.6471 17 R 5.1057 7.8401 114.1224 55.0146 32.8447 173.0707 18 L 5.2440 9.2763 124.2613 53.6083 44.4979 175.3085 19 F 5.8382 9.5097 120.7273 56.2205 41.9383 172.3292 20 C 4.8124 8.6822 112.2954 57.6490 32.6354 172.6782 21 D 5.2708 8.1455 118.3370 51.6332 41.7130 175.5242 22 D 4.4143 8.9079 117.2572 58.0317 40.7555 177.5703 23 E 4.1943 8.4485 116.3222 57.0131 29.9382 176.3397 24 Y 3.6874 7.5166 120.9262 57.6680 39.0566 175.0161 25 L 4.0148 6.4605 129.7204 53.2963 42.8641 175.7620 26 W 4.2849 8.6983 128.1172 56.1648 30.6441 175.7018 27 I 5.0563 7.9619 124.4372 59.5772 40.2357 174.4666 28 F 5.8001 9.0887 124.3920 56.1063 43.9453 173.2020 29 N 5.6691 9.5231 118.7733 52.0906 40.6940 174.3438 30 I 5.3506 9.3764 115.8211 59.4207 42.0975 173.8162 31 R 5.0401 9.0128 121.3970 54.3322 33.8179 173.5582 32 D 4.3262 7.7934 125.8398 54.1967 41.3160 176.5388 33 S 4.4284 8.8823 119.8875 59.9935 63.9943 175.3420 34 T 4.4120 8.4842 109.8493 61.2039 69.1828 173.0888 35 S 4.4219 7.1423 115.5008 57.6415 65.4178 174.1577 36 S 4.2541 8.3189 113.5135 59.3539 63.2943 174.4674 37 L 4.2493 7.6479 123.2383 55.3195 42.3153 176.2313 38 T 5.2770 8.4056 111.6364 60.2313 72.7811 172.9931 39 R 4.7844 9.4900 122.0814 55.2209 33.4786 173.5619 40 D 5.2339 8.9857 125.7983 53.0488 43.1098 175.3323 41 N 4.0252 8.9354 117.5433 54.5489 38.1218 174.5277 42 I 4.2097 7.6335 109.7564 61.0212 39.5046 175.3653 43 Q 5.2072 8.5686 121.6317 54.5395 32.5606 174.1682 44 F 5.2555 8.9684 117.3752 56.1974 42.0089 173.2176 45 R 5.4249 9.3665 118.8220 54.2385 32.6115 177.7974 46 K 4.5927 9.2080 120.0603 59.2810 32.7637 177.7662 47 T 4.3837 7.8071 108.2579 61.9531 69.5302 174.6551 48 D 4.5560 8.1325 123.8714 55.0298 42.1021 175.6154 49 I 4.4708 8.4450 122.8710 59.6921 39.7306 174.6406 50 L 4.7582 8.7110 127.6316 52.6438 44.7099 175.9032 51 E 4.4033 8.6926 123.4260 56.0026 30.2655 176.1784 52 I 4.0421 7.9017 126.3387 59.5330 37.4651 174.6115 53 P 4.1634 0.0000 0.0000 63.7812 31.7646 175.8503 54 N 4.3565 8.5717 116.3584 53.9140 36.1147 174.0419 55 S 4.5534 7.0311 108.9108 57.5890 65.7366 175.7089 56 R 4.0819 8.6565 121.3686 57.9646 29.9262 177.1157 57 G 4.0049 8.3716 107.5941 46.3524 0.0000 172.6153 58 T 5.2065 8.3830 109.7575 59.5801 72.1733 172.6371 59 A 5.1989 8.7221 122.5319 49.3326 22.3300 176.6328 60 N 4.7337 8.8509 115.6693 54.2931 39.9045 174.7115 61 F 4.5894 7.9974 119.6767 56.5033 44.0936 172.8476 *63 I 3.7042 8.1121 119.7614 60.4836 39.2396 174.4200 64 K 4.4197 8.0785 129.7215 54.4061 31.6436 175.9758 65 W 4.4773 8.6481 127.9150 59.1899 29.3226 176.0230 66 T 4.7938 7.5192 105.9375 59.8922 71.2372 172.9196 67 E 4.1889 8.7235 117.4428 57.1621 30.1362 176.2152 68 Y 4.0916 7.8971 122.4572 57.3325 39.2205 175.5532 69 P 4.4817 0.0000 0.0000 61.5831 28.9958 174.1374 70 K 4.5250 7.5318 123.4124 56.3729 35.4961 173.8946 71 Y 4.7818 8.8012 123.6611 56.4011 40.1712 175.1722 72 S 5.2452 9.1289 119.4370 57.2788 66.0180 173.5764 73 T 5.0413 9.0971 111.3761 60.4880 72.7200 172.5480 74 I 5.0751 8.9232 123.5638 59.6994 40.8021 174.2932 75 N 5.5138 9.0213 123.1593 50.9720 42.3814 173.7580 76 F 4.0982 10.0567 126.7565 58.6511 40.2018 174.2673 77 V 4.1226 7.0979 126.0504 60.7102 32.8972 175.1592 78 N 4.4041 8.6164 126.1082 53.4546 39.3544 174.2709 79 T 4.6494 7.9070 111.2583 59.1955 72.2390 173.0195 80 K 3.9794 8.6118 120.9640 58.8958 32.7680 176.4333 81 N 4.0859 8.6361 118.8744 54.2343 37.3307 174.3528 82 S 4.1405 7.5805 112.0586 59.1822 64.0279 173.3927 83 C 2.4500 8.8702 117.3358 60.0483 25.8304 172.8106 84 S 5.3064 7.2239 109.8698 57.1460 65.5366 172.2805 85 Y 4.8894 10.0367 128.3720 56.0244 41.4324 174.0945 86 E 5.0465 8.1946 124.9757 54.1148 33.3460 176.4583 87 E 3.8721 8.6118 122.1500 59.5532 29.7116 179.9448 88 V 3.6720 7.7301 116.4734 63.9497 31.7358 176.1917 89 N 4.9281 7.7930 117.7318 52.3573 38.8410 173.8302 90 N 4.3461 7.5803 116.7435 55.5875 39.3590 174.2388 91 N 4.3614 9.4465 120.9016 53.9191 36.9555 173.1629 92 E 5.0205 7.8146 117.6635 54.0154 32.9242 175.5198 93 W 4.6528 8.7975 122.1613 57.1663 30.0787 175.9961 94 R 4.9635 9.5027 122.1577 54.4525 34.6165 174.3022 95 D 4.8200 9.0637 122.8221 55.0542 40.9862 175.5849 96 F 4.9315 9.8965 125.3578 59.4523 42.1808 174.9316 97 A 4.7924 7.9399 117.5271 50.7734 22.6475 175.3777 98 S 5.0432 7.6403 115.0517 56.7632 67.3281 173.3352 99 F 4.9395 8.5547 120.0592 56.1006 43.6339 173.2217 100 E 4.6510 9.2358 125.9230 55.5989 30.5319 174.5714 101 C 5.3850 8.7051 124.6528 58.0103 31.2171 173.8318 102 R 4.3653 9.1189 122.4539 55.5786 33.2326 176.3365 103 G 4.5784 9.6439 112.2470 46.3886 0.0000 171.9391 104 I 5.2102 7.4781 118.6938 59.3804 41.2417 173.7416 105 E 4.6716 9.2298 125.9667 54.1900 31.9257 174.7272 106 L 4.3388 8.5460 127.4056 55.1797 41.7033 176.1335 107 I 4.3817 8.9340 125.0471 62.5707 38.9258 176.1598 108 D 5.0222 8.1635 120.3358 52.4154 44.7808 174.3869 109 F 5.1701 8.9012 124.2992 56.6105 41.7583 175.1212 110 F 4.0894 7.2805 122.9333 54.2406 41.1991 173.0932 111 P 4.0571 0.0000 0.0000 63.1677 32.0114 176.5063 112 S 4.7410 8.2774 117.5470 57.1031 64.9097 174.8892 113 N 5.1683 8.3682 120.4954 53.1652 37.3723 174.1505 114 N 4.7945 7.5461 114.6616 53.1058 37.4100 174.5067 115 F 4.4594 8.0171 117.5016 58.8561 40.6583 174.8494 116 I 4.6858 8.7174 120.8756 59.3939 40.6613 174.9381 117 V 4.8549 8.1955 124.4789 61.0481 34.6294 173.5845 118 E 5.3049 9.3886 128.6194 54.5369 31.9142 175.3397 119 D 5.0164 9.5752 127.6468 52.5980 41.4392 177.3802 120 T 4.1136 8.6064 108.4752 63.4039 68.8971 175.2851 121 K 4.3046 8.3170 120.9835 56.2061 32.1795 177.3863 122 G 3.9890 8.2274 108.9930 44.8307 0.0000 174.4363 123 K 4.1774 8.3278 121.9037 56.1949 33.4360 175.4668 124 L 5.2032 8.1856 125.6666 53.1807 44.3336 175.2905 125 Y 4.6536 8.7747 120.2684 56.5733 41.0225 175.1737 126 Y 4.4700 8.8422 121.6989 55.8188 40.6691 174.5526 127 D 4.4897 8.5529 116.5341 54.1620 38.5743 175.1775 128 V 3.4048 8.0336 119.1487 62.5293 31.7842 174.0933 129 N 4.9347 8.7598 126.8036 52.5784 38.9843 173.8004 130 L 4.7880 8.2796 124.8226 54.3834 42.5195 178.9680 131 S 4.6210 8.6730 115.2082 59.9614 63.2524 174.7404 132 D 4.7867 8.0603 119.6723 52.8752 39.5295 177.3429 133 Q 3.8028 9.0977 117.3837 56.8133 27.1372 172.4376 134 N 5.5932 7.8370 112.8432 52.0037 43.1952 173.6965 135 W 5.1668 9.0497 130.3894 56.7519 34.6731 172.9073 136 C 3.9443 7.4246 119.0909 57.4565 32.7078 172.1293 137 D 4.2553 7.5511 116.8732 54.2696 44.6030 172.8660 138 Y 4.7909 9.3160 117.6256 56.4068 42.3165 174.3126 139 N 4.7088 7.8426 125.2257 51.9237 39.0281 175.2058 140 E 4.1574 8.8528 126.1942 59.5190 29.9371 178.4040 141 E 3.9898 8.3734 117.8516 58.9846 29.6468 176.8977 142 H 4.5754 8.1694 112.1628 54.4034 29.2565 173.7907 143 E 4.0884 7.3726 117.8377 55.7893 26.5643 173.0360 *145 C 4.5179 8.0619 118.0317 59.3644 29.9090 173.2754 146 V 4.5433 8.1209 122.0038 61.2141 34.2987 174.5398 147 G 4.0447 8.9129 113.3429 45.4707 0.0000 171.9232 148 I 4.8210 8.5377 120.6804 59.5237 40.8030 174.4478 149 Y 5.0676 8.6266 124.9741 56.3410 41.4989 175.4207 150 N 4.2960 9.1086 120.0483 54.0119 37.9577 174.4551 151 L 4.0742 7.8894 118.7584 55.9327 43.0464 176.4928 152 E 4.7899 8.9300 124.8145 54.9807 33.7067 174.1519 153 Y 5.6890 8.1051 117.1725 57.0989 40.6533 172.7253 154 E 5.1393 9.1807 117.6992 55.9181 33.5614 174.2549 155 V 5.2320 8.1024 119.3153 60.3121 34.7267 174.7121 156 N 4.3204 8.9152 120.5169 53.7240 37.5492 174.2202 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 K 8.31 4.32 0.00 1.79 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 3 N 8.50 4.61 0.00 2.63 2.71 0.00 0.00 6.95 6.65 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 4 T 9.17 4.63 4.29 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 1.23 0.00 0.00 5 V 8.82 4.95 2.13 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 1.05 0.00 0.00 0.93 0.00 0.00 6 V 9.13 4.66 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 0.33 0.00 0.00 1.09 0.00 0.00 7 R 9.07 5.53 0.00 2.08 2.26 0.00 3.23 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 8 I 8.83 5.25 1.63 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.00 0.82 0.00 0.00 9 K 8.38 4.51 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.71 0.00 0.00 2.72 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.90 0.95 7.81 10 A 8.59 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.64 5.13 0.00 2.16 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 2.66 2.10 0.00 12 L 9.44 5.11 0.00 1.51 1.62 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.22 4.58 0.00 2.21 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 2.24 2.32 0.00 14 N 8.74 4.33 0.00 3.04 2.84 0.00 0.00 6.58 7.68 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 15 V 7.66 4.61 2.13 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 0.87 0.00 0.00 1.05 0.00 0.00 16 K 9.19 4.32 0.00 2.02 1.98 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.38 7.81 17 R 7.84 5.11 0.00 1.94 1.95 0.00 2.23 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 18 L 9.28 5.24 0.00 1.71 1.69 0.46 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 19 F 9.51 5.84 0.00 3.28 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 20 C 8.68 4.81 0.00 2.69 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 21 D 8.15 5.27 0.00 2.90 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 22 D 8.91 4.41 0.00 2.70 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 23 E 8.45 4.19 0.00 2.07 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 2.31 2.23 0.00 24 Y 7.52 3.69 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.46 4.01 0.00 1.21 0.93 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.70 4.28 0.00 2.25 2.84 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 27 I 7.96 5.06 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.87 0.00 0.00 28 F 9.09 5.80 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 29 N 9.52 5.67 0.00 3.01 2.91 0.00 0.00 6.74 6.83 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 30 I 9.38 5.35 2.12 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 1.45 1.77 0.92 0.00 0.00 31 R 9.01 5.04 0.00 1.86 1.73 0.00 3.01 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 32 D 7.79 4.33 0.00 1.58 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 0.00 0.00 0.00 33 S 8.88 4.43 0.00 3.96 4.11 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 34 T 8.48 4.41 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 1.18 0.00 0.00 35 S 7.14 4.42 0.00 3.82 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 36 S 8.32 4.25 0.00 3.95 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 37 L 7.65 4.25 0.00 0.98 1.49 0.97 0.38 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 38 T 8.41 5.28 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 1.28 0.00 0.00 39 R 9.49 4.78 0.00 2.13 1.96 0.00 3.22 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 40 D 8.99 5.23 0.00 2.62 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 41 N 8.94 4.03 0.00 2.64 2.78 0.00 0.00 7.18 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 42 I 7.63 4.21 1.36 0.00 0.00 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 1.19 0.59 0.87 0.00 0.00 43 Q 8.57 5.21 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.17 2.49 0.00 44 F 8.97 5.26 0.00 3.53 3.39 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 45 R 9.37 5.42 0.00 1.90 2.12 0.00 3.15 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 46 K 9.21 4.59 0.00 1.51 1.78 0.00 1.35 0.00 0.00 0.87 0.00 0.00 2.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 47 T 7.81 4.38 4.29 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 1.24 0.00 0.00 48 D 8.13 4.56 0.00 2.99 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 49 I 8.44 4.47 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.91 0.00 0.00 50 L 8.71 4.76 0.00 1.49 1.45 0.75 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 51 E 8.69 4.40 0.00 1.77 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 2.27 2.24 0.00 52 I 7.90 4.04 1.92 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 1.18 0.44 0.87 0.00 0.00 53 P 0.00 4.16 0.00 2.04 1.80 0.00 3.48 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.63 0.00 54 N 8.57 4.36 0.00 2.85 2.89 0.00 0.00 6.74 7.57 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 55 S 7.03 4.55 0.00 3.95 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 56 R 8.66 4.08 0.00 1.95 2.03 0.00 3.08 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 57 G 8.37 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 0.00 0.00 0.00 58 T 8.38 5.21 4.35 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 1.28 0.00 0.00 59 A 8.72 5.20 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 60 N 8.85 4.73 0.00 2.45 3.22 0.00 0.00 6.97 7.45 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 61 F 8.00 4.59 0.00 2.68 2.38 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 *63 I 8.11 3.70 1.46 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.28 0.06 0.00 0.00 64 K 8.08 4.42 0.00 0.91 1.41 0.00 1.09 0.00 0.00 0.92 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.18 7.81 65 W 8.65 4.48 0.00 3.30 3.13 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 66 T 7.52 4.79 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 1.30 0.00 0.00 67 E 8.72 4.19 0.00 2.11 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 2.31 2.33 0.00 68 Y 7.90 4.09 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 69 P 0.00 4.48 0.00 2.03 1.90 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.54 0.00 70 K 7.53 4.53 0.00 1.94 1.97 0.00 2.00 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.60 7.81 71 Y 8.80 4.78 0.00 2.81 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 72 S 9.13 5.25 0.00 3.73 4.01 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 73 T 9.10 5.04 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 1.23 0.00 0.00 74 I 8.92 5.08 1.53 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.11 0.81 0.00 0.00 75 N 9.02 5.51 0.00 2.61 2.69 0.00 0.00 6.33 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 76 F 10.06 4.10 0.00 3.08 3.10 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 77 V 7.10 4.12 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 0.63 0.00 0.00 0.86 0.00 0.00 78 N 8.62 4.40 0.00 2.74 2.82 0.00 0.00 6.90 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 79 T 7.91 4.65 4.15 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 0.00 0.00 0.00 1.04 0.00 0.00 80 K 8.61 3.98 0.00 1.87 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 81 N 8.64 4.09 0.00 2.74 3.01 0.00 0.00 7.08 7.63 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 82 S 7.58 4.14 0.00 3.96 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 83 C 8.87 2.45 0.00 3.11 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 84 S 7.22 5.31 0.00 3.91 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 85 Y 10.04 4.89 0.00 3.31 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 86 E 8.19 5.05 0.00 1.83 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 2.27 2.21 0.00 87 E 8.61 3.87 0.00 2.15 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 2.30 2.28 0.00 88 V 7.73 3.67 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 0.71 0.00 0.00 0.90 0.00 0.00 89 N 7.79 4.93 0.00 2.32 2.61 0.00 0.00 6.47 6.49 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 90 N 7.58 4.35 0.00 2.85 2.75 0.00 0.00 7.08 7.60 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 91 N 9.45 4.36 0.00 2.97 2.91 0.00 0.00 6.50 8.52 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 92 E 7.81 5.02 0.00 2.06 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 2.26 2.45 0.00 93 W 8.80 4.65 0.00 3.28 3.24 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 94 R 9.50 4.96 0.00 2.08 1.96 0.00 3.40 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 95 D 9.06 4.82 0.00 2.64 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 96 F 9.90 4.93 0.00 3.22 3.32 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 0.00 97 A 7.94 4.79 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 98 S 7.64 5.04 0.00 3.32 3.46 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 99 F 8.55 4.94 0.00 2.83 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 0.00 100 E 9.24 4.65 0.00 2.00 1.81 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 2.28 2.28 0.00 101 C 8.71 5.39 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 0.00 102 R 9.12 4.37 0.00 1.70 1.85 0.00 3.35 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 103 G 9.64 4.58 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 0.00 0.00 0.00 104 I 7.48 5.21 2.00 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 1.76 1.01 1.01 0.00 0.00 105 E 9.23 4.67 0.00 1.99 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 2.21 2.25 0.00 106 L 8.55 4.34 0.00 1.42 1.28 -0.11 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.93 4.38 2.11 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 1.30 0.88 0.99 0.00 0.00 108 D 8.16 5.02 0.00 2.78 2.22 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 0.00 109 F 8.90 5.17 0.00 3.14 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 0.00 110 F 7.28 4.09 0.00 2.59 2.69 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 0.00 111 P 0.00 4.06 0.00 2.17 2.22 0.00 2.80 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.49 0.00 112 S 8.28 4.74 0.00 3.62 3.60 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 0.00 113 N 8.37 5.17 0.00 2.91 3.32 0.00 0.00 5.50 6.96 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 0.00 114 N 7.55 4.79 0.00 2.62 2.78 0.00 0.00 6.25 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 0.00 115 F 8.02 4.46 0.00 2.88 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 0.00 116 I 8.72 4.69 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.39 0.27 0.00 0.00 117 V 8.20 4.85 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 1.09 0.00 0.00 0.26 0.00 0.00 118 E 9.39 5.30 0.00 2.20 1.84 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 2.26 2.28 0.00 119 D 9.58 5.02 0.00 3.12 3.13 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 0.00 120 T 8.61 4.11 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 1.20 0.00 0.00 121 K 8.32 4.30 0.00 1.79 1.58 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.11 7.81 122 G 8.23 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 0.00 0.00 0.00 123 K 8.33 4.18 0.00 1.84 1.98 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.89 1.25 7.81 124 L 8.19 5.20 0.00 1.44 1.11 1.03 0.94 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 0.00 125 Y 8.77 4.65 0.00 2.84 3.07 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 0.00 126 Y 8.84 4.47 0.00 2.90 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 0.00 127 D 8.55 4.49 0.00 2.85 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 0.00 128 V 8.03 3.40 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 -0.36 0.00 0.00 0.25 0.00 0.00 129 N 8.76 4.93 0.00 2.76 2.84 0.00 0.00 7.04 7.78 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 0.00 130 L 8.28 4.79 0.00 1.60 1.42 0.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.67 4.62 0.00 3.97 4.01 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 0.00 132 D 8.06 4.79 0.00 2.86 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 0.00 133 Q 9.10 3.80 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.74 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 134 N 7.84 5.59 0.00 2.72 2.78 0.00 0.00 6.63 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 0.00 135 W 9.05 5.17 0.00 3.41 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 0.00 136 C 7.42 3.94 0.00 2.76 2.64 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 0.00 137 D 7.55 4.26 0.00 1.80 1.84 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 0.00 138 Y 9.32 4.79 0.00 2.92 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 0.00 139 N 7.84 4.71 0.00 2.92 2.55 0.00 0.00 7.20 7.65 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 0.00 140 E 8.85 4.16 0.00 2.07 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 0.00 2.54 2.54 0.00 141 E 8.37 3.99 0.00 1.86 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 0.00 2.18 1.93 0.00 142 H 8.17 4.58 0.00 3.26 3.26 0.00 5.86 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.37 4.09 0.00 2.14 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 0.00 2.35 2.25 0.00 *145 C 8.06 4.52 0.00 2.95 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 0.00 146 V 8.12 4.54 1.79 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 0.92 0.00 0.00 0.92 0.00 0.00 147 G 8.91 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 0.00 0.00 0.00 148 I 8.54 4.82 1.80 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.70 0.00 0.00 149 Y 8.63 5.07 0.00 2.84 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 0.00 150 N 9.11 4.30 0.00 2.83 2.84 0.00 0.00 7.10 7.36 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 0.00 151 L 7.89 4.07 0.00 1.53 1.66 0.62 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.93 4.79 0.00 1.37 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 2.13 2.26 0.00 153 Y 8.11 5.69 0.00 3.16 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 0.00 154 E 9.18 5.14 0.00 2.06 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 0.00 2.27 2.26 0.00 155 V 8.10 5.23 2.35 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 1.02 0.00 0.00 1.02 0.00 0.00 156 N 8.92 4.32 0.00 2.83 2.89 0.00 0.00 6.81 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 * Residues marked with a * may have inaccurate shift predictions.