NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 E 4.4391 8.5445 118.6672 56.1597 32.9773 178.9252 3 L 4.0388 9.0912 121.5254 55.3481 42.5047 176.3196 4 I 4.6579 8.5241 125.2932 59.3869 39.0525 174.9313 5 V 4.3759 8.8810 127.2621 61.0940 34.4338 173.8994 6 N 5.0769 8.9045 125.8769 52.3062 40.0615 174.3835 7 V 4.7244 8.6399 125.7472 61.5351 33.3276 174.4277 8 I 4.9463 8.9539 130.2652 59.6626 39.7862 174.5176 9 N 5.4428 9.5610 125.2667 51.8197 41.1412 175.4907 10 G 4.3968 9.0245 112.9192 43.5406 0.0000 170.5759 11 P 4.3688 0.0000 0.0000 64.7194 31.8496 176.5730 12 N 4.5582 9.5513 118.9541 53.5156 37.2211 176.1509 13 L 4.0980 7.5696 118.1281 56.5822 41.9338 178.7891 14 G 3.6470 7.9281 106.0896 46.9506 0.0000 174.2307 15 R 4.3616 7.6510 118.3693 55.6116 31.0040 176.3016 16 L 3.9099 7.2096 118.3226 56.6653 42.2780 177.0160 17 G 4.2095 9.0553 115.9304 46.1161 0.0000 175.1164 18 R 4.2880 7.6683 114.7073 56.0488 30.7369 176.3732 19 R 3.8823 7.9672 120.0443 57.7668 30.5137 177.2072 20 E 3.7943 8.6881 122.0148 56.6749 26.3524 174.0742 21 P 4.5555 0.0000 0.0000 64.9069 31.6850 177.8444 22 A 4.0084 7.9856 117.6324 54.0200 18.3813 178.8120 23 V 3.7621 7.4194 115.3656 64.3257 32.4559 175.9286 24 Y 4.5705 8.1809 112.6455 57.1785 38.7226 176.4222 25 G 3.9759 8.5608 107.3234 45.3914 0.0000 174.0793 26 G 4.0489 8.2399 104.9414 45.4040 0.0000 173.9533 27 T 4.2698 7.6800 117.7845 63.0693 69.2983 175.4121 28 T 4.9049 8.4943 118.7890 60.8440 71.1537 175.3923 29 H 4.0789 8.5908 120.4253 59.3913 29.9123 176.8486 30 D 4.3363 8.0906 120.2477 57.6039 40.8501 178.5768 31 E 3.9698 8.0286 118.4324 59.0986 29.3267 179.2971 32 L 3.8129 7.8151 120.5034 57.9241 42.1703 178.9397 33 V 3.3667 7.9233 118.3883 66.1142 31.5595 177.8558 34 A 3.9552 7.8705 120.2928 54.9550 18.1981 179.3854 35 L 3.8797 7.7609 118.4573 58.3830 42.2185 179.2746 36 I 3.7146 7.8343 119.8477 64.4283 37.0033 178.2965 37 E 3.9718 8.1776 119.4454 59.3504 29.3682 179.7393 38 R 3.8932 7.8810 117.7384 59.1963 29.6694 178.6045 39 E 3.9300 8.2620 118.8978 59.2548 29.6075 178.7662 40 A 4.0024 8.1289 120.5665 55.1664 17.9589 179.5430 41 A 4.3626 7.8440 120.0866 54.5524 18.1574 179.4501 42 E 4.0131 7.9739 116.9427 58.6084 29.7496 177.8817 43 L 4.5386 7.2964 115.9028 53.8294 41.9237 176.8572 44 G 3.8380 7.5450 105.7407 46.1934 0.0000 173.3823 45 L 4.8849 8.1928 119.3193 52.3706 45.7604 175.4421 46 K 4.4802 8.9679 120.8455 54.7361 34.5966 174.5265 47 A 4.8317 8.6061 130.0292 51.0168 20.1189 176.3624 48 V 4.0157 8.8931 124.0552 61.3570 33.0197 174.4526 49 V 4.5851 8.0876 128.5213 61.4811 32.7594 175.2035 50 R 4.4790 8.9371 126.5544 54.2854 34.2054 173.9630 51 Q 5.2729 8.6191 123.0548 54.6816 32.0170 174.2191 52 S 4.7874 8.8140 118.6740 57.5314 65.4813 173.8813 53 D 4.5261 8.8862 124.4347 55.1929 41.5564 176.7619 54 S 4.4993 7.9358 115.5298 56.6085 63.6476 173.7403 55 E 3.8152 8.7194 129.6186 59.4466 29.5211 178.3692 56 A 3.8684 7.9272 120.1838 55.3732 18.4783 179.2535 57 Q 3.4041 7.4922 116.9119 58.9890 29.0249 178.4120 58 L 3.9952 7.5176 119.9204 57.6549 41.5808 179.4042 59 L 3.8401 7.9394 119.0811 57.7721 41.5444 179.0187 60 D 4.3092 7.7631 117.8147 57.2678 41.2497 178.4356 61 W 4.5073 7.8233 118.9657 59.8504 29.0059 178.6546 62 I 3.8240 7.9996 119.9046 64.6516 36.5583 178.0466 63 H 4.2881 8.4971 117.4855 59.2097 28.5860 177.8829 64 Q 4.0777 8.3375 119.5347 58.9101 28.4808 178.6743 65 A 4.0479 8.1346 121.3762 54.9196 18.2543 179.6158 66 A 3.9559 8.2575 119.4661 55.5501 18.2884 179.6935 67 D 4.3147 8.1414 116.0412 56.8171 40.9906 177.9293 68 A 4.3226 7.9508 118.4457 50.9140 19.8092 176.4609 69 A 3.7165 7.4161 119.3832 53.1303 16.7518 176.9182 70 E 4.8413 8.0961 119.2201 54.6386 31.8262 175.9636 71 P 4.6525 0.0000 0.0000 63.1147 33.1315 175.0342 72 V 4.9390 8.6192 120.5570 61.3143 34.8882 174.0571 73 I 4.8778 9.0710 129.0032 59.6764 39.2825 174.3173 74 L 5.1143 9.1467 129.6600 53.3511 45.1071 174.5810 75 N 5.3351 9.4088 125.7406 51.0300 39.4683 174.5866 76 A 4.3378 8.7380 128.1718 51.9853 20.2804 178.5010 77 G 4.0374 8.0162 105.7979 46.5878 0.0000 177.7978 78 G 3.7219 8.7620 110.1073 47.4819 0.0000 174.5804 79 L 4.3103 7.6674 121.3852 56.8809 41.5381 179.2638 80 T 3.9235 7.6677 116.4619 66.4928 68.1671 174.9288 81 H 5.0053 7.7958 114.8569 56.0211 29.5207 175.6339 82 T 4.5967 7.7335 109.1499 61.6253 70.6390 173.1624 83 S 4.5224 8.2357 117.5859 56.6762 62.2978 174.5444 84 V 3.2820 7.8801 128.4602 65.5354 31.4251 177.3580 85 A 3.9515 7.8602 120.2481 55.1728 18.1628 179.2471 86 L 3.9015 8.0679 118.7859 58.0960 42.1657 179.0456 87 R 3.9141 7.5906 117.4649 59.6653 29.8043 178.2091 88 D 4.3670 8.2775 117.6166 57.3125 41.0704 178.4154 89 A 4.1968 7.9421 120.8442 55.4222 18.4325 179.5555 90 C 4.2098 8.3633 114.8727 62.5303 27.9412 175.9143 91 A 4.1578 7.8691 121.4968 54.4800 17.9545 178.8180 92 E 4.1841 7.8736 115.8093 57.2760 29.9304 177.3721 93 L 4.1293 7.3116 120.0636 54.9418 42.0510 177.0051 94 S 4.4580 8.6605 117.2631 59.2595 64.3685 174.3908 95 A 4.4869 7.6807 121.3645 50.1750 19.8964 175.5325 96 P 4.3623 0.0000 0.0000 63.0290 32.8766 175.2040 97 L 5.1580 8.7417 125.4259 53.4015 44.6636 174.9007 98 I 4.7367 8.8259 127.8778 59.3966 39.2600 174.4248 99 E 4.6189 8.9496 129.6509 55.6715 31.1222 175.3884 100 V 4.6824 8.5496 126.3198 61.3255 35.0913 173.7589 101 H 5.0092 9.2534 124.1762 54.2203 32.1585 174.5644 102 I 4.0571 8.7639 124.0925 64.5588 37.8039 176.8150 103 S 4.4603 8.0885 114.5373 57.1928 64.2229 173.7941 104 N 4.4901 8.3826 120.5147 53.1729 37.4878 175.9072 105 V 3.6687 8.0740 125.6121 63.8951 31.8140 177.0434 106 H 4.4004 8.0162 115.8270 56.6138 28.9225 175.4970 107 A 4.6039 7.7436 121.6042 51.7305 19.5787 177.4363 108 R 4.7380 7.1809 116.7983 55.7619 32.1314 175.5001 109 E 3.9199 8.1881 120.5631 57.0461 30.3846 177.4462 110 E 3.8609 8.6583 122.6678 59.2701 29.8097 178.8980 111 F 4.4691 7.8039 111.7043 58.8051 37.9645 175.7606 112 R 3.7922 7.0883 119.2349 56.8958 30.2017 177.0025 113 R 4.2708 7.6941 116.3604 56.3867 30.7070 176.1995 114 H 4.9132 7.5447 113.5240 54.1027 29.3159 174.0489 115 S 4.3280 7.9711 113.0436 59.1257 63.0199 173.7530 116 Y 4.3052 8.6504 125.0706 60.3808 38.3089 177.4967 117 L 4.3748 7.9637 119.3680 56.7500 41.8850 178.6584 118 S 4.2944 7.8902 116.7158 60.6742 62.6498 175.2350 119 P 4.3433 0.0000 0.0000 64.3306 31.2038 176.9773 120 I 4.2447 7.4517 108.4771 60.3695 38.5029 175.7379 121 A 4.3825 7.4117 124.2294 51.9395 19.3820 177.8167 122 T 4.0459 8.6872 117.7130 66.5266 68.9529 174.8476 123 G 4.0607 7.5418 105.7649 45.3205 0.0000 171.6816 124 V 4.9252 8.0813 118.8783 60.9438 34.6906 174.4263 125 I 4.5183 9.0059 128.2934 59.4858 39.8273 174.7121 126 V 4.6314 8.1338 126.2554 62.0429 34.3416 175.6214 127 G 3.9287 8.8793 114.7268 46.0157 0.0000 173.5651 128 L 4.4921 7.8029 117.4740 53.9395 42.4189 178.5858 129 G 3.9379 7.8203 109.0803 45.7722 0.0000 175.0485 130 I 4.1669 8.2723 111.6800 63.5655 37.7009 177.5869 131 Q 4.1636 8.2608 121.3543 58.6140 28.9162 177.7435 132 G 3.6291 7.9617 106.9400 48.1527 0.0000 175.2419 133 Y 4.0874 7.8474 118.9630 60.9320 37.9035 178.6354 134 L 4.0993 7.9126 119.5089 57.7507 41.8324 179.3665 135 L 4.0489 8.2712 118.9263 57.6024 41.6577 179.3005 136 A 4.0321 8.0242 120.7792 55.1703 18.3220 179.6490 137 L 4.0105 7.9902 117.4367 58.0435 41.4882 179.7784 138 R 3.9575 7.8485 117.5539 59.3127 30.3035 177.7049 139 Y 4.2198 8.1269 119.4988 60.8126 38.5474 178.0431 140 L 3.9898 8.0618 119.2473 57.7871 41.4748 179.4436 141 A 3.9865 7.9736 119.8990 54.7679 18.3442 178.7201 142 E 4.2833 7.8274 116.6176 56.8656 29.9312 175.7021 143 H 4.3394 7.2544 117.6622 54.4588 29.5830 175.1205 *144 V 3.9215 8.2346 120.7702 60.8631 32.1566 172.5603 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 E 8.54 4.44 0.00 1.77 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 2.13 1.90 0.00 3 L 9.09 4.04 0.00 1.41 1.58 0.92 0.42 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 4 I 8.52 4.66 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 1.22 0.98 0.93 0.00 0.00 5 V 8.88 4.38 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 0.99 0.00 0.00 0.95 0.00 0.00 6 N 8.90 5.08 0.00 2.70 2.70 0.00 0.00 6.13 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 7 V 8.64 4.72 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 1.07 0.00 0.00 0.97 0.00 0.00 8 I 8.95 4.95 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.68 1.19 0.00 0.00 9 N 9.56 5.44 0.00 2.65 2.77 0.00 0.00 6.39 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 10 G 9.02 4.40 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 0.00 11 P 0.00 4.37 0.00 2.06 2.04 0.00 4.02 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 12 N 9.55 4.56 0.00 2.88 2.95 0.00 0.00 6.73 7.22 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 13 L 7.57 4.10 0.00 1.84 1.73 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.93 3.65 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 0.00 0.00 0.00 15 R 7.65 4.36 0.00 2.03 1.94 0.00 3.31 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 16 L 7.21 3.91 0.00 1.76 1.88 1.00 0.89 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 17 G 9.06 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.67 4.29 0.00 1.94 2.08 0.00 3.05 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 19 R 7.97 3.88 0.00 1.85 1.93 0.00 3.31 0.00 0.00 2.88 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 20 E 8.69 3.79 0.00 2.42 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 0.00 2.43 2.49 0.00 21 P 0.00 4.56 0.00 2.18 2.14 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 22 A 7.99 4.01 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 23 V 7.42 3.76 1.68 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 -0.14 0.00 0.00 0.76 0.00 0.00 24 Y 8.18 4.57 0.00 3.01 2.94 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 25 G 8.56 3.98 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 0.00 0.00 0.00 26 G 8.24 4.05 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 0.00 27 T 7.68 4.27 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 28 T 8.49 4.90 4.25 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 1.22 0.00 0.00 29 H 8.59 4.08 0.00 3.31 3.32 0.00 5.68 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 30 D 8.09 4.34 0.00 2.72 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 31 E 8.03 3.97 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 32 L 7.82 3.81 0.00 1.73 1.63 0.66 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.92 3.37 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 0.87 0.00 0.00 0.75 0.00 0.00 34 A 7.87 3.96 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 35 L 7.76 3.88 0.00 1.92 1.78 0.91 0.86 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 36 I 7.83 3.71 1.88 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.88 0.00 0.00 37 E 8.18 3.97 0.00 2.15 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 2.28 2.44 0.00 38 R 7.88 3.89 0.00 2.02 1.96 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 39 E 8.26 3.93 0.00 2.19 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 2.33 2.39 0.00 40 A 8.13 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.84 4.36 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 42 E 7.97 4.01 0.00 2.14 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 2.32 2.34 0.00 43 L 7.30 4.54 0.00 1.82 1.67 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.55 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 45 L 8.19 4.88 0.00 1.64 1.57 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.97 4.48 0.00 1.72 1.62 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.48 7.81 47 A 8.61 4.83 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 48 V 8.89 4.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.87 0.00 0.00 49 V 8.09 4.59 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 0.69 0.00 0.00 0.83 0.00 0.00 50 R 8.94 4.48 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.60 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.06 0.00 51 Q 8.62 5.27 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.34 1.98 0.00 52 S 8.81 4.79 0.00 3.96 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 53 D 8.89 4.53 0.00 2.69 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 54 S 7.94 4.50 0.00 3.81 3.58 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 55 E 8.72 3.82 0.00 2.03 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 0.00 2.32 2.34 0.00 56 A 7.93 3.87 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 57 Q 7.49 3.40 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 58 L 7.52 4.00 0.00 1.86 1.73 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.94 3.84 0.00 1.71 1.52 0.88 0.99 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 60 D 7.76 4.31 0.00 2.76 2.51 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 0.00 0.00 0.00 0.00 61 W 7.82 4.51 0.00 3.65 3.05 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 62 I 8.00 3.82 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.98 0.97 0.00 0.00 63 H 8.50 4.29 0.00 3.38 3.35 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 64 Q 8.34 4.08 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 65 A 8.13 4.05 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 66 A 8.26 3.96 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 67 D 8.14 4.31 0.00 2.71 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.95 4.32 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 69 A 7.42 3.72 1.33 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 0.00 0.00 70 E 8.10 4.84 0.00 1.87 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 2.27 2.41 0.00 71 P 0.00 4.65 0.00 2.15 2.22 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 72 V 8.62 4.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 73 I 9.07 4.88 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.97 0.00 0.00 74 L 9.15 5.11 0.00 1.71 1.49 1.07 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.41 5.34 0.00 2.85 3.07 0.00 0.00 6.96 7.75 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 76 A 8.74 4.34 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 77 G 8.02 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 78 G 8.76 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 0.00 0.00 0.00 79 L 7.67 4.31 0.00 1.90 1.75 0.92 0.64 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 80 T 7.67 3.92 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 1.27 0.00 0.00 81 H 7.80 5.01 0.00 3.24 3.58 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.73 4.60 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 1.29 0.00 0.00 83 S 8.24 4.52 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.88 3.28 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.36 0.00 0.00 85 A 7.86 3.95 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 86 L 8.07 3.90 0.00 1.75 1.65 0.93 0.73 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 87 R 7.59 3.91 0.00 2.00 2.06 0.00 3.44 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 88 D 8.28 4.37 0.00 2.80 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 89 A 7.94 4.20 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 90 C 8.36 4.21 0.00 3.16 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 91 A 7.87 4.16 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 92 E 7.87 4.18 0.00 2.19 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 0.00 2.35 2.37 0.00 93 L 7.31 4.13 0.00 1.74 1.65 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.66 4.46 0.00 3.98 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 95 A 7.68 4.49 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 96 P 0.00 4.36 0.00 2.21 2.16 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 97 L 8.74 5.16 0.00 1.78 1.51 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.83 4.74 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.54 0.78 0.00 0.00 99 E 8.95 4.62 0.00 2.01 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 2.11 2.17 0.00 100 V 8.55 4.68 1.62 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 0.07 0.00 0.00 0.75 0.00 0.00 101 H 9.25 5.01 0.00 3.01 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.76 4.06 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.42 1.11 0.00 0.00 103 S 8.09 4.46 0.00 3.81 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 0.00 104 N 8.38 4.49 0.00 2.72 2.74 0.00 0.00 6.70 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 0.00 105 V 8.07 3.67 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 0.54 0.00 0.00 0.86 0.00 0.00 106 H 8.02 4.40 0.00 3.29 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.74 4.60 1.26 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 0.00 0.00 0.00 108 R 7.18 4.74 0.00 1.58 1.59 0.00 3.08 0.00 0.00 3.11 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 109 E 8.19 3.92 0.00 1.16 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 2.35 2.22 0.00 110 E 8.66 3.86 0.00 2.02 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 2.41 2.44 0.00 111 F 7.80 4.47 0.00 3.11 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 0.00 112 R 7.09 3.79 0.00 1.65 1.74 0.00 2.92 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.00 113 R 7.69 4.27 0.00 1.68 1.79 0.00 3.05 0.00 0.00 3.30 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 114 H 7.54 4.91 0.00 3.02 3.11 0.00 5.72 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.97 4.33 0.00 3.87 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 0.00 116 Y 8.65 4.31 0.00 3.21 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 0.00 117 L 7.96 4.37 0.00 1.73 1.74 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.89 4.29 0.00 3.90 3.94 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 0.00 119 P 0.00 4.34 0.00 2.06 2.14 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 120 I 7.45 4.24 1.90 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 1.28 0.66 0.94 0.00 0.00 121 A 7.41 4.38 1.33 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 0.00 0.00 122 T 8.69 4.05 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 1.22 0.00 0.00 123 G 7.54 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 0.00 0.00 0.00 0.00 124 V 8.08 4.93 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 0.84 0.00 0.00 0.91 0.00 0.00 125 I 9.01 4.52 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.58 0.85 0.00 0.00 126 V 8.13 4.63 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 127 G 8.88 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 0.00 128 L 7.80 4.49 0.00 1.63 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.82 3.94 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 0.00 130 I 8.27 4.17 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.02 1.01 0.00 0.00 131 Q 8.26 4.16 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 132 G 7.96 3.63 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 0.00 133 Y 7.85 4.09 0.00 3.15 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 0.00 134 L 7.91 4.10 0.00 1.83 1.75 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.27 4.05 0.00 1.70 1.73 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.02 4.03 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 0.00 137 L 7.99 4.01 0.00 2.01 1.77 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.85 3.96 0.00 2.00 2.17 0.00 3.30 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 8.13 4.22 0.00 3.15 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 0.00 140 L 8.06 3.99 0.00 1.98 1.75 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.97 3.99 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 0.00 142 E 7.83 4.28 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 143 H 7.25 4.34 0.00 2.68 3.03 0.00 5.74 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 *144 V 8.23 3.92 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 * Residues marked with a * may have inaccurate shift predictions.