NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 Y 4.7917 8.1029 121.0690 57.5133 38.8697 173.3265 10 I 4.5795 8.6964 126.5302 58.4082 37.6994 168.4123 11 V 4.6957 9.6110 128.2764 59.6480 34.7192 172.4973 12 I 4.7439 8.5827 127.6973 58.1750 37.5553 171.3311 13 F 4.7713 9.9823 127.7334 56.2302 41.0525 173.4292 14 G 3.8233 10.1284 117.9982 46.1916 0.0000 173.2776 15 C 4.9370 9.4087 130.1846 58.9283 32.2906 174.2917 16 G 4.1277 7.8276 110.8212 44.8418 0.0000 172.7900 17 R 3.9709 8.9666 122.1079 63.3477 29.4124 174.8578 18 L 4.5413 7.8994 121.2353 59.6515 41.4122 180.8419 19 G 4.4780 8.7485 107.0288 47.8092 0.0000 175.3773 20 S 4.2512 8.9943 119.3885 61.0845 63.0364 177.3904 21 L 4.0276 7.6726 127.1935 59.9605 40.6143 183.9761 22 I 3.5807 7.4681 120.6610 64.8242 35.3479 179.9776 23 A 4.1030 7.6894 122.4603 55.0028 18.1622 179.4429 24 N 4.3200 8.6400 117.7403 57.0777 38.2564 178.3782 25 L 3.9713 7.8167 123.4316 59.1878 40.9807 181.1417 26 A 4.1435 7.9692 120.7503 55.3432 18.3735 179.7422 27 S 4.1844 8.0840 111.9694 61.5573 62.2713 176.5279 28 S 4.1077 8.1838 117.6691 61.7046 62.8845 175.6647 *29 S 4.4122 7.5715 114.5947 57.7951 61.8707 178.5210 30 G 3.8853 8.0113 110.2501 48.3337 0.0000 174.1832 *31 H 4.7996 7.6648 116.8298 53.4506 29.9066 178.0262 32 S 4.3430 8.5388 116.0578 57.9393 63.3914 172.8584 33 V 4.8395 8.3556 127.1464 61.1146 34.5054 174.3765 34 V 4.6005 8.7096 128.3564 61.8822 34.5396 175.1182 35 V 4.6908 8.4742 128.1566 59.9438 33.6049 171.2173 36 V 4.8848 8.3512 127.2322 60.5419 33.3952 174.2533 37 D 4.8881 9.3439 128.5982 53.2150 44.4700 176.6179 38 K 4.1152 9.0457 126.4278 57.0756 31.9732 176.6758 39 N 5.0908 8.7352 117.9745 51.0846 40.5718 175.8851 *40 E 3.9421 8.9862 119.0796 59.9858 29.6766 179.1634 *41 Y 4.3367 7.9292 117.2938 58.8969 37.0524 180.1200 42 A 4.0336 7.2736 120.3994 55.6692 18.4620 178.8191 43 F 4.5555 8.0086 116.1022 60.3869 39.0532 176.7536 *44 H 4.1896 7.5743 119.9404 55.2421 25.2471 179.1530 *50 F 4.6142 7.9050 119.4866 56.2998 38.6068 174.9426 51 S 4.3822 8.5338 121.1782 58.2506 62.7670 174.1991 52 G 3.8737 7.9443 109.0326 47.4422 0.0000 173.1930 *53 F 4.9538 8.4853 119.9518 55.6697 40.9274 173.9750 54 T 4.7487 8.1568 111.6089 60.8381 71.0622 174.0490 55 V 4.3235 8.4104 128.2396 60.2538 33.7489 172.6256 56 V 4.7018 8.6702 126.0276 58.7279 32.4209 172.5153 57 G 4.3008 7.9984 115.9362 45.0975 0.0000 171.5800 58 D 4.6546 8.0511 120.3374 53.1895 41.3143 177.0357 59 A 4.3442 8.7842 129.8293 54.3042 18.6816 177.8328 60 A 3.9435 8.3355 118.3977 53.9927 18.6301 178.1232 61 E 4.3045 8.1285 116.4705 56.1063 30.4841 177.9180 62 F 4.6111 9.2610 127.3304 62.1887 39.4238 177.9560 63 E 4.0105 8.4460 116.4348 61.2656 29.6145 180.9383 64 T 4.5799 7.5830 115.0008 66.4647 68.2155 176.9857 65 L 4.1472 8.0766 122.8767 58.3438 41.5070 180.2525 66 K 4.2113 7.8337 123.7173 59.7710 31.3640 181.4762 67 E 4.2615 7.9460 118.5157 58.8465 29.1177 178.7089 68 C 4.2362 7.6448 114.8118 59.5333 29.2352 173.3404 69 G 3.8375 8.0566 111.4444 47.4010 0.0000 175.9176 70 M 4.1056 7.6022 119.1748 57.1171 32.1646 181.0452 71 E 4.1803 8.6667 115.0181 60.0009 29.8679 183.9138 72 K 4.5008 7.7747 117.6548 53.9351 31.9559 177.9493 73 A 4.5971 7.7939 125.2686 53.3877 19.6522 178.5605 74 D 4.7310 9.1126 125.5985 56.4241 41.7050 175.6003 75 M 5.0828 8.0149 120.1182 53.9734 35.9448 177.8674 76 V 4.8620 8.5293 122.6916 58.8413 35.1951 171.9957 77 F 5.2197 9.8743 125.6534 54.9844 40.8247 175.4748 78 A 4.9012 9.4204 128.4730 50.7984 19.0004 176.9314 79 F 5.0560 8.9896 123.0595 58.3256 40.3214 176.1093 80 T 4.4025 8.9984 109.8167 60.7774 69.7611 174.1345 81 N 4.5008 8.5899 117.5094 53.6851 37.9543 174.1518 82 D 4.8794 7.8341 120.1003 52.6498 42.9616 176.2065 83 D 4.4834 8.9286 126.8645 57.8569 41.0033 178.8407 84 S 4.2425 8.2995 115.0198 62.0109 62.8677 176.7498 85 T 3.9353 8.7152 118.5799 66.9397 68.2507 176.2149 86 N 4.4546 8.7385 118.6667 56.4524 38.5045 177.1914 87 F 4.1123 9.4034 122.8193 61.3113 39.5253 176.8636 88 F 3.8348 8.7872 120.5827 61.2487 39.1070 176.8396 89 I 3.4633 8.5263 122.1172 65.1747 36.8904 179.0746 90 S 4.0527 8.0517 119.1536 63.6897 62.1274 178.2913 91 M 4.1937 7.7732 122.8421 58.1501 31.5103 178.7291 92 N 4.3108 7.7837 116.3451 56.0964 38.7378 177.1851 93 A 4.0006 8.0147 122.3272 55.2543 18.5890 179.7673 94 R 3.5616 8.4857 117.2337 59.4214 30.0251 177.6267 95 Y 4.5660 8.1498 113.5396 58.3005 38.7724 175.9418 96 M 4.4605 8.2656 117.9623 55.3945 34.0882 175.9698 97 F 4.5416 8.2929 115.8178 57.0134 41.2347 175.1031 98 N 4.6656 8.1175 116.3746 52.1542 34.3996 179.5883 99 V 3.8966 8.2812 123.2676 63.1012 32.8683 176.1826 100 E 4.0027 9.0193 123.8773 58.6719 30.0291 173.5611 101 N 4.9270 7.8274 121.9809 51.9368 40.4047 175.0424 102 V 4.8008 8.2358 123.1389 59.5500 35.4734 170.8168 103 I 4.8914 8.5937 127.2530 58.4243 39.8148 174.5992 104 A 5.2760 9.2718 128.8413 49.9850 21.9604 175.1414 105 R 4.1221 8.6240 123.7760 55.6000 30.6248 175.8504 106 V 4.2035 8.0385 127.3181 61.5058 33.4308 175.4447 107 Y 3.7273 10.0785 130.6525 60.4257 39.1425 175.1737 108 D 4.4360 8.5486 122.7361 53.2535 41.0094 175.1328 109 P 4.2492 0.0000 0.0000 66.0244 31.0693 179.0020 110 E 4.0701 8.4668 116.5446 60.4661 30.0162 183.0632 111 K 4.4271 8.2457 117.0128 59.0063 32.2652 179.0309 112 I 3.6751 7.4684 122.9103 65.1291 36.9542 178.5429 113 K 3.9626 8.1570 123.5760 60.1205 31.3242 180.4562 114 I 3.9822 7.5615 117.5755 63.0071 38.0255 177.8577 115 F 4.3625 8.4121 118.6636 61.0035 39.0159 177.3919 116 E 4.1541 8.3385 117.4220 59.3005 29.4491 178.8972 117 E 4.2091 8.5574 117.0838 58.0114 29.5580 177.0550 118 N 4.9742 8.4657 115.7731 52.3478 39.4112 174.4755 119 G 3.7459 8.1778 105.7118 47.1612 0.0000 175.0124 120 I 4.4660 7.8154 121.8107 59.3628 39.5100 177.6693 121 K 4.2549 8.4455 131.3966 55.8992 32.7569 172.6985 122 T 5.0309 8.4216 112.6483 59.5122 71.9280 173.2666 123 I 4.3635 9.0355 125.9759 59.9815 39.4686 173.9344 124 C 5.2940 8.5793 128.2706 56.0623 33.2351 172.6718 125 P 4.2014 0.0000 0.0000 65.9754 31.0710 178.3000 126 A 3.8469 7.6871 120.5170 54.7758 18.0619 179.8544 127 V 3.5763 7.5271 115.9901 64.8909 31.9958 178.1783 128 L 4.2984 8.0000 119.9644 57.5387 41.4291 179.2842 129 M 4.2223 8.3301 119.9292 58.9892 31.1348 179.1448 130 I 3.9143 7.4632 120.0714 64.8356 35.5653 179.7839 131 E 4.3586 7.9099 119.7261 60.4145 29.4838 180.2441 132 K 4.1094 7.9996 125.6466 60.4054 31.1252 181.8277 133 V 4.0162 8.3472 120.4812 64.9209 31.2012 180.3195 134 K 4.5064 7.8754 120.9238 60.7125 31.5339 179.3040 135 E 4.1477 8.2399 120.7734 61.7753 29.4192 182.1058 *136 F 4.3303 7.4022 118.0744 59.3132 38.3267 178.6655 137 I 3.8852 7.3874 116.3457 63.8474 37.7573 176.7496 138 I 4.0379 7.3190 122.1073 59.7367 35.3598 178.0131 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 *9 Y 8.10 4.79 0.00 2.02 2.30 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 10 I 8.70 4.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.91 0.00 0.00 11 V 9.61 4.70 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 0.65 0.00 0.00 0.93 0.00 0.00 12 I 8.58 4.74 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.91 0.00 0.00 13 F 9.98 4.77 0.00 3.29 3.12 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 0.00 0.00 0.00 14 G 10.13 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 9.41 4.94 0.00 2.97 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 16 G 7.83 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 17 R 8.97 3.97 0.00 1.92 1.83 0.00 3.27 0.00 0.00 3.26 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 18 L 7.90 4.54 0.00 1.64 1.70 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.75 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.99 4.25 0.00 4.03 4.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.67 4.03 0.00 1.72 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.47 3.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.91 0.00 0.00 23 A 7.69 4.10 1.31 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 0.00 0.00 0.00 24 N 8.64 4.32 0.00 2.67 2.84 0.00 0.00 7.14 6.28 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 25 L 7.82 3.97 0.00 1.68 1.68 0.92 0.92 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 26 A 7.97 4.14 1.31 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 0.00 0.00 0.00 27 S 8.08 4.18 0.00 3.94 3.83 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 28 S 8.18 4.11 0.00 4.00 3.96 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 *29 S 7.57 4.41 0.00 3.70 3.78 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 30 G 8.01 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 *31 H 7.66 4.80 0.00 2.74 2.85 0.00 7.20 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.54 4.34 0.00 3.89 3.76 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 33 V 8.36 4.84 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 0.86 0.00 0.00 0.98 0.00 0.00 34 V 8.71 4.60 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 0.80 0.00 0.00 0.86 0.00 0.00 35 V 8.47 4.69 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 0.66 0.00 0.00 0.93 0.00 0.00 36 V 8.35 4.88 1.67 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 0.95 0.00 0.00 0.13 0.00 0.00 37 D 9.34 4.89 0.00 2.53 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 0.00 0.00 0.00 0.00 38 K 9.05 4.12 0.00 1.81 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.37 1.02 7.81 39 N 8.74 5.09 0.00 2.82 2.84 0.00 0.00 7.10 8.51 0.00 0.00 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 E 8.99 3.94 0.00 1.92 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 2.31 1.88 0.00 *41 Y 7.93 4.34 0.00 2.23 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 0.00 0.00 0.00 0.00 42 A 7.27 4.03 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 43 F 8.01 4.56 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 H 7.57 4.19 0.00 2.96 2.91 0.00 7.23 0.00 0.00 0.00 0.00 6.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 F 7.91 4.61 0.00 2.32 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 0.00 0.00 0.00 0.00 51 S 8.53 4.38 0.00 3.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 F 8.49 4.95 0.00 2.00 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 0.00 0.00 0.00 0.00 54 T 8.16 4.75 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 0.61 0.00 0.00 55 V 8.41 4.32 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 0.69 0.00 0.00 0.93 0.00 0.00 56 V 8.67 4.70 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 0.87 0.00 0.00 0.93 0.00 0.00 57 G 8.00 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 0.00 0.00 0.00 0.00 58 D 8.05 4.65 0.00 2.73 2.61 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 59 A 8.78 4.34 1.49 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 60 A 8.34 3.94 1.11 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 0.00 0.00 61 E 8.13 4.30 0.00 2.33 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 2.37 2.28 0.00 62 F 9.26 4.61 0.00 3.24 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 63 E 8.45 4.01 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.99 0.00 64 T 7.58 4.58 4.54 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 1.30 0.00 0.00 65 L 8.08 4.15 0.00 1.89 1.57 0.92 0.98 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 66 K 7.83 4.21 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 67 E 7.95 4.26 0.00 2.19 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 2.32 2.48 0.00 68 C 7.64 4.24 0.00 2.99 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 69 G 8.06 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 0.00 0.00 0.00 70 M 7.60 4.11 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.11 0.00 71 E 8.67 4.18 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 2.23 1.89 0.00 72 K 7.77 4.50 0.00 1.72 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.24 7.81 73 A 7.79 4.60 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 74 D 9.11 4.73 0.00 2.38 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 75 M 8.01 5.08 0.00 1.63 1.88 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.09 0.00 76 V 8.53 4.86 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 0.70 0.00 0.00 0.93 0.00 0.00 77 F 9.87 5.22 0.00 2.94 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 78 A 9.42 4.90 1.38 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 0.00 0.00 79 F 8.99 5.06 0.00 3.08 3.14 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 80 T 9.00 4.40 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 1.39 0.00 0.00 81 N 8.59 4.50 0.00 2.79 2.96 0.00 0.00 5.81 8.06 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 82 D 7.83 4.88 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.93 4.48 0.00 2.83 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 84 S 8.30 4.24 0.00 4.08 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 85 T 8.72 3.94 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 1.29 0.00 0.00 86 N 8.74 4.45 0.00 3.18 3.07 0.00 0.00 6.76 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 87 F 9.40 4.11 0.00 2.97 3.30 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 88 F 8.79 3.83 0.00 3.25 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 89 I 8.53 3.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 -0.07 0.00 0.00 90 S 8.05 4.05 0.00 3.73 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 91 M 7.77 4.19 0.00 1.74 1.74 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 92 N 7.78 4.31 0.00 2.68 3.03 0.00 0.00 6.90 7.21 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 93 A 8.01 4.00 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 94 R 8.49 3.56 0.00 1.61 1.59 0.00 2.83 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 95 Y 8.15 4.57 0.00 3.00 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 96 M 8.27 4.46 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 97 F 8.29 4.54 0.00 3.11 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 98 N 8.12 4.67 0.00 2.81 2.71 0.00 0.00 7.00 7.67 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 99 V 8.28 3.90 2.05 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 0.90 0.00 0.00 1.06 0.00 0.00 100 E 9.02 4.00 0.00 2.03 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 0.00 2.23 1.90 0.00 101 N 7.83 4.93 0.00 2.89 2.64 0.00 0.00 6.98 7.56 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 0.00 102 V 8.24 4.80 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 0.81 0.00 0.00 0.93 0.00 0.00 103 I 8.59 4.89 1.41 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.64 1.20 0.00 0.00 104 A 9.27 5.28 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 0.00 105 R 8.62 4.12 0.00 0.67 1.13 0.00 2.97 0.00 0.00 2.73 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.00 106 V 8.04 4.20 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 0.69 0.00 0.00 -0.24 0.00 0.00 107 Y 10.08 3.73 0.00 2.89 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 0.00 108 D 8.55 4.44 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.25 0.00 2.13 2.00 0.00 3.57 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 2.00 1.96 0.00 110 E 8.47 4.07 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 111 K 8.25 4.43 0.00 2.00 2.08 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 112 I 7.47 3.68 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.94 0.92 0.00 0.00 113 K 8.16 3.96 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 114 I 7.56 3.98 1.80 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.61 0.00 0.00 115 F 8.41 4.36 0.00 3.42 3.37 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 0.00 116 E 8.34 4.15 0.00 2.12 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 2.39 2.50 0.00 117 E 8.56 4.21 0.00 2.14 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 2.38 2.32 0.00 118 N 8.47 4.97 0.00 2.97 3.05 0.00 0.00 6.94 7.20 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 0.00 119 G 8.18 3.75 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 0.00 0.00 0.00 120 I 7.82 4.47 2.28 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 1.20 0.00 0.00 121 K 8.45 4.25 0.00 1.45 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.28 7.81 122 T 8.42 5.03 4.06 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 1.09 0.00 0.00 123 I 9.04 4.36 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 1.02 0.00 0.00 124 C 8.58 5.29 0.00 2.85 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 0.00 125 P 0.00 4.20 0.00 2.26 2.30 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.08 0.00 126 A 7.69 3.85 1.10 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 0.00 127 V 7.53 3.58 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 0.83 0.00 0.00 0.90 0.00 0.00 128 L 8.00 4.30 0.00 2.02 1.75 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 129 M 8.33 4.22 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.54 0.00 130 I 7.46 3.91 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.69 0.91 0.00 0.00 131 E 7.91 4.36 0.00 2.29 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 2.32 2.31 0.00 132 K 8.00 4.11 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 133 V 8.35 4.02 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 0.72 0.00 0.00 0.93 0.00 0.00 134 K 7.88 4.51 0.00 2.11 1.92 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.32 7.81 135 E 8.24 4.15 0.00 2.04 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 2.24 2.20 0.00 *136 F 7.40 4.33 0.00 2.49 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 0.00 0.00 0.00 0.00 137 I 7.39 3.89 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.01 0.91 0.00 0.00 138 I 7.32 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.74 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.