NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7316 8.4249 118.1111 53.1458 39.9841 174.1906 3 Y 4.0737 8.5142 120.4793 54.8497 38.7935 173.1170 4 P 4.4387 0.0000 0.0000 62.7391 33.0234 176.3787 5 V 4.0282 8.0043 120.2347 60.1578 33.0809 175.2039 6 N 4.2340 8.6804 119.0710 53.4638 38.7844 173.8885 7 P 4.3838 0.0000 0.0000 65.1749 31.6925 176.6759 8 D 4.6055 7.9174 117.7450 54.8513 41.6487 177.8038 9 L 3.8595 7.8094 119.1158 55.7634 41.6593 176.3128 *11 P 4.3217 0.0000 0.0000 62.7011 33.3896 177.7260 12 A 4.1416 8.1133 121.8102 55.2320 18.4457 180.7170 13 L 3.9531 8.0231 113.2977 55.4112 41.2739 179.2237 *15 A 4.2679 8.1650 123.4816 52.3513 20.5503 180.0939 16 V 3.5845 7.9128 115.0163 66.0966 31.4570 177.9109 17 F 4.1034 8.5543 120.5976 61.2939 39.1237 176.8047 18 Q 3.8178 8.1796 118.6025 59.3719 28.8515 177.4075 19 H 3.9589 8.1089 119.1250 59.3692 29.8323 177.1951 20 V 3.3822 7.7861 119.9043 65.8457 31.2371 177.8162 21 R 3.5899 7.6357 118.2880 59.7919 29.8091 178.1532 22 T 3.7498 7.8576 115.5312 67.0282 68.6170 176.4357 23 R 3.8045 8.0680 119.6271 59.4101 30.1262 179.2272 24 I 3.6280 7.8542 119.4782 64.4480 36.9345 178.2773 25 Q 3.9466 7.8512 117.3200 59.9378 28.9237 178.6084 26 S 3.9447 8.2427 114.8504 62.7485 62.7097 176.5997 27 E 4.1544 8.4944 121.1919 59.3917 29.6291 179.2104 28 L 4.0105 7.9540 119.8125 57.1120 42.0128 178.0475 29 D 4.4979 8.4420 118.8035 56.6012 41.2460 178.2861 30 C 3.9720 8.0401 115.7738 62.8085 28.2319 174.5258 31 Q 4.2005 7.7508 115.8181 55.4114 28.8954 175.8299 32 R 3.8577 8.1272 117.2658 57.0666 27.5033 175.0376 33 L 4.3630 8.2697 117.9689 54.9655 43.7046 177.6546 34 D 4.5134 8.1905 114.4109 55.0209 39.2436 172.8788 35 L 4.9058 7.8374 115.4299 52.5442 44.4950 175.8956 36 T 4.6423 9.0484 111.2739 59.2182 71.3918 173.6713 37 P 4.2171 0.0000 0.0000 65.7510 31.2491 176.9647 38 P 4.3297 0.0000 0.0000 65.6904 31.2239 178.3169 39 D 4.3419 8.2099 117.6686 57.4489 40.7953 178.8369 40 V 3.6230 7.8794 118.1919 66.3024 31.4090 177.3355 41 H 4.2078 8.2463 117.7809 59.3995 29.7955 177.3815 42 V 3.5394 7.8014 120.0101 65.9982 31.2756 177.9696 43 L 3.9484 7.9377 118.7516 57.4335 41.4601 179.2833 44 K 3.6756 7.9969 119.5349 59.6246 32.2992 178.8663 45 L 3.9726 7.9143 119.1135 57.6327 41.2261 179.6522 46 I 3.5886 7.4707 118.9405 64.5323 37.2010 177.7413 47 D 4.4483 7.8857 117.3220 57.2122 41.0340 177.8944 48 E 4.1476 8.1143 118.5705 58.1475 31.3029 177.4797 49 Q 4.5006 7.6448 120.1838 53.3015 28.2263 174.2589 50 R 3.9590 7.7678 114.7699 58.1446 29.8644 177.8718 51 G 3.2862 7.8080 110.9194 44.2973 0.0000 173.4737 52 L 3.9568 7.2891 120.0841 55.6172 41.0496 176.5709 53 N 5.4922 8.1569 119.6537 52.0415 41.6062 175.9302 54 L 4.0561 9.2572 122.8509 57.6153 41.4611 179.7242 55 Q 4.0788 8.3279 117.3060 59.4477 28.3757 178.4837 56 D 4.3031 7.9633 120.2664 57.0162 40.7970 178.2382 57 L 4.0707 7.6205 119.5760 57.8674 42.4190 179.0702 58 G 3.7021 8.4509 106.2001 47.7122 0.0000 175.5152 59 R 3.9550 7.9939 120.7229 59.1393 30.1254 179.2068 60 Q 4.0097 7.9330 112.7448 56.8210 29.5014 177.0680 *62 C 4.4109 7.8824 115.3740 60.1562 29.3592 173.9268 63 R 4.7310 7.7592 117.0992 53.7306 33.6514 176.1571 64 D 4.4955 8.4673 120.4887 53.1518 39.6975 177.4013 65 K 3.8100 8.9078 121.0253 59.9380 32.0632 179.3382 66 A 4.0045 7.8715 120.4173 55.0221 17.9742 179.2847 67 L 4.0495 8.1484 118.7359 57.9447 42.0963 179.3214 68 I 3.7905 7.5920 120.5157 64.3225 37.0028 178.0935 69 T 3.8421 7.5359 109.8148 64.8889 68.3150 176.1776 70 R 3.8256 7.5422 120.3382 59.1951 30.1950 178.4730 71 K 3.9930 7.7419 118.5278 59.7672 32.0023 178.3400 72 I 3.7550 8.0046 120.5569 63.9913 36.6819 178.2310 73 R 4.4743 8.5497 120.9249 58.5779 29.8601 178.8900 74 E 4.0083 8.0259 118.6911 59.2528 29.6413 178.7276 75 L 4.0779 7.9119 118.7909 57.5112 41.7114 179.3840 76 E 4.4727 8.0547 120.8679 58.8280 29.1995 179.4563 77 G 3.7154 7.5500 103.2856 47.1814 0.0000 175.1454 78 R 4.1500 7.4727 118.2148 55.7774 30.9230 175.2892 79 N 4.2635 8.1621 116.0337 55.0204 37.4130 174.1999 80 L 4.9501 7.9473 116.0401 54.1057 45.2664 177.7698 81 V 5.0514 7.8044 117.5547 60.9942 35.5725 174.1895 82 R 4.9317 9.1323 121.1316 54.7169 33.4144 173.6948 83 R 5.7342 8.4804 117.4366 53.5113 34.7609 175.2494 84 E 4.5523 8.8247 112.3301 57.0160 30.5662 174.0058 85 R 2.8107 6.5846 126.9153 56.4664 27.3151 173.8128 *93 F 5.2011 7.8133 118.0587 57.3327 40.9613 174.0385 94 Q 4.7194 8.4645 122.4953 55.1147 30.9397 174.6017 95 L 5.2304 8.0515 121.8970 53.1623 44.7698 175.6608 96 F 5.1134 8.8593 120.1569 55.8727 43.8781 173.8363 97 L 4.9117 8.6088 120.6061 54.3297 43.0007 176.8738 98 T 4.3424 8.5450 112.5258 61.0585 69.9369 175.4856 99 D 4.4596 8.8001 121.6533 57.3331 40.6915 178.9374 100 E 4.0690 8.1761 119.6813 59.1091 29.7915 178.6275 101 G 3.6814 8.8766 106.9137 47.7772 0.0000 174.9730 102 L 3.9885 8.3281 123.3324 57.9332 42.2039 178.8309 103 A 4.1299 7.6248 119.1325 55.4518 18.2288 179.7603 104 I 3.8071 7.7493 118.0832 64.8129 37.3115 178.1196 105 H 4.1884 8.9809 119.5198 59.4467 28.5295 177.0381 106 Q 4.0463 8.5370 119.2278 57.8754 28.5924 177.4636 107 H 4.5789 7.6358 118.1688 58.3031 30.2487 176.6943 108 A 3.9894 8.0561 121.6819 55.2206 18.2661 178.9616 109 E 4.0077 7.9154 116.2210 59.2302 29.8493 178.6346 110 A 4.2150 7.4639 118.0889 54.6723 18.2446 178.8043 111 I 4.1369 7.3380 116.7071 62.1612 37.2099 178.1703 *113 S 4.3998 7.9634 117.6525 58.7266 64.9319 176.2772 114 R 3.9343 7.7208 119.5689 59.2984 29.5013 178.7923 115 V 3.5350 8.0464 118.2495 66.4363 31.6190 177.8888 116 H 3.9388 8.2270 115.4404 58.6252 28.6718 177.2467 117 D 4.5045 8.8238 121.2718 57.6660 40.4804 178.7611 118 E 4.0785 7.8956 117.1921 58.5875 29.4799 178.9557 119 L 3.8678 7.0917 120.2854 57.9475 42.5360 178.3770 120 F 4.6748 7.9123 115.8627 58.1676 38.9328 177.6368 121 A 4.0121 7.6346 121.7616 54.9312 18.1302 176.8896 122 P 4.5269 0.0000 0.0000 63.4135 31.4828 175.6315 123 L 4.7695 8.1208 120.6385 53.4854 43.0867 177.3323 124 T 4.0967 8.6423 114.3773 61.1226 70.6693 173.5661 125 P 4.2420 0.0000 0.0000 65.8037 31.3364 179.1150 126 V 3.5541 7.7151 116.3995 66.1994 31.5606 177.8031 127 E 4.0066 8.2329 118.2057 59.4444 29.1622 179.4850 128 Q 3.9054 8.2266 117.9474 58.8865 28.8603 178.5811 129 A 3.9534 8.0042 121.8103 55.2695 18.2900 179.8684 130 T 3.7571 7.8390 114.1841 66.7808 68.5649 176.4012 131 L 3.8938 8.2714 122.6009 58.3380 41.9674 179.2201 132 V 3.4815 7.8999 118.0184 66.1659 31.2347 177.5296 133 H 4.0791 7.8744 116.4244 59.2321 30.0495 176.8270 134 L 4.0857 8.0634 120.8472 57.8735 41.5135 179.3617 135 L 3.9610 8.0156 118.8839 58.1117 41.4848 179.2663 136 D 4.3965 8.0138 117.3249 56.9460 40.8965 177.7930 137 Q 4.1279 7.8625 117.2174 57.8241 28.8950 176.9374 138 C 4.4040 7.7511 116.2930 59.3294 28.7428 173.4510 139 L 4.4672 6.8047 120.6781 52.9116 42.7909 176.4277 140 A 4.1009 8.2100 123.0710 51.8276 18.9751 177.5049 141 A 4.2016 8.3768 124.0464 52.4232 19.1385 178.5348 142 Q 4.5427 8.2112 121.6345 52.8646 29.2862 173.2662 143 P 4.4291 0.0000 0.0000 62.4399 32.4639 176.6051 144 L 4.7060 8.2887 119.4900 52.9729 43.7712 175.7302 145 E 4.7095 8.7276 122.5809 54.7495 31.6019 175.3861 146 D 4.8776 8.7038 122.5593 54.8375 43.3015 176.2799 147 I 4.1047 7.4706 116.1218 61.1820 37.3150 174.3527 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 N 8.42 4.73 0.00 2.72 2.86 0.00 0.00 6.98 6.57 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 3 Y 8.51 4.07 0.00 3.02 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 4 P 0.00 4.44 0.00 2.21 2.08 0.00 3.97 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 5 V 8.00 4.03 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 0.73 0.00 0.00 0.94 0.00 0.00 6 N 8.68 4.23 0.00 2.77 2.77 0.00 0.00 6.63 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 7 P 0.00 4.38 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 8 D 7.92 4.61 0.00 2.73 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 9 L 7.81 3.86 0.00 1.90 1.64 0.93 0.88 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 *11 P 0.00 4.32 0.00 2.25 2.22 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 12 A 8.11 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.02 3.95 0.00 1.75 1.72 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.16 4.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.91 3.58 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 1.09 0.00 0.00 0.99 0.00 0.00 17 F 8.55 4.10 0.00 3.24 3.09 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 0.00 0.00 0.00 18 Q 8.18 3.82 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 19 H 8.11 3.96 0.00 3.27 3.42 0.00 5.84 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 20 V 7.79 3.38 1.89 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 0.88 0.00 0.00 0.85 0.00 0.00 21 R 7.64 3.59 0.00 1.35 1.71 0.00 3.06 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 22 T 7.86 3.75 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 1.13 0.00 0.00 23 R 8.07 3.80 0.00 1.63 1.88 0.00 3.19 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 24 I 7.85 3.63 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.87 0.00 0.00 25 Q 7.85 3.95 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 26 S 8.24 3.94 0.00 3.96 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 27 E 8.49 4.15 0.00 2.01 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 2.31 2.43 0.00 28 L 7.95 4.01 0.00 2.00 1.72 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.44 4.50 0.00 2.80 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 30 C 8.04 3.97 0.00 3.07 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 31 Q 7.75 4.20 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 32 R 8.13 3.86 0.00 1.90 1.95 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 33 L 8.27 4.36 0.00 1.79 1.67 0.82 0.80 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 34 D 8.19 4.51 0.00 2.79 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 35 L 7.84 4.91 0.00 1.64 1.54 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 T 9.05 4.64 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 1.21 0.00 0.00 37 P 0.00 4.22 0.00 2.18 2.15 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 38 P 0.00 4.33 0.00 2.18 2.14 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 39 D 8.21 4.34 0.00 2.91 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 40 V 7.88 3.62 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 1.08 0.00 0.00 1.00 0.00 0.00 41 H 8.25 4.21 0.00 3.31 3.51 0.00 5.84 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 42 V 7.80 3.54 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 0.96 0.00 0.00 1.01 0.00 0.00 43 L 7.94 3.95 0.00 1.90 1.65 0.96 0.88 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 44 K 8.00 3.68 0.00 2.00 2.04 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.56 7.81 45 L 7.91 3.97 0.00 1.64 1.63 0.74 0.63 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 46 I 7.47 3.59 1.95 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 1.73 0.70 0.85 0.00 0.00 47 D 7.89 4.45 0.00 2.58 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 48 E 8.11 4.15 0.00 1.98 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 2.36 2.57 0.00 49 Q 7.64 4.50 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 50 R 7.77 3.96 0.00 2.05 2.01 0.00 3.27 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 51 G 7.81 3.29 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 0.00 52 L 7.29 3.96 0.00 1.86 1.93 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.16 5.49 0.00 2.78 2.92 0.00 0.00 7.70 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 54 L 9.26 4.06 0.00 1.68 1.69 0.89 0.37 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 55 Q 8.33 4.08 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 56 D 7.96 4.30 0.00 2.91 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 57 L 7.62 4.07 0.00 1.57 1.85 0.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.45 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 0.00 0.00 0.00 59 R 7.99 3.96 0.00 1.86 2.13 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 60 Q 7.93 4.01 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 *62 C 7.88 4.41 0.00 2.99 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 63 R 7.76 4.73 0.00 1.79 1.78 0.00 3.34 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 64 D 8.47 4.50 0.00 2.81 2.79 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 65 K 8.91 3.81 0.00 1.77 1.91 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.47 7.81 66 A 7.87 4.00 1.32 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 0.00 0.00 67 L 8.15 4.05 0.00 1.98 1.90 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.59 3.79 1.86 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 1.73 0.85 0.90 0.00 0.00 69 T 7.54 3.84 4.20 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 1.21 0.00 0.00 70 R 7.54 3.83 0.00 2.00 2.16 0.00 3.09 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 71 K 7.74 3.99 0.00 1.93 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.53 7.81 72 I 8.00 3.76 2.05 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 1.78 0.82 0.98 0.00 0.00 73 R 8.55 4.47 0.00 1.90 2.02 0.00 3.10 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 74 E 8.03 4.01 0.00 2.10 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 2.31 2.35 0.00 75 L 7.91 4.08 0.00 1.90 1.72 0.93 0.93 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 76 E 8.05 4.47 0.00 2.17 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 2.51 2.36 0.00 77 G 7.55 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 78 R 7.47 4.15 0.00 1.95 2.00 0.00 3.44 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 79 N 8.16 4.26 0.00 2.87 2.92 0.00 0.00 6.90 7.06 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 80 L 7.95 4.95 0.00 1.60 1.64 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.80 5.05 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 1.09 0.00 0.00 0.95 0.00 0.00 82 R 9.13 4.93 0.00 1.92 2.00 0.00 2.78 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.90 0.00 83 R 8.48 5.73 0.00 1.85 2.07 0.00 3.68 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 84 E 8.82 4.55 0.00 1.81 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 0.00 2.21 2.24 0.00 85 R 6.58 2.81 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 *93 F 7.81 5.20 0.00 2.98 3.09 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 0.00 0.00 0.00 94 Q 8.46 4.72 0.00 2.19 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 95 L 8.05 5.23 0.00 1.42 1.46 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.86 5.11 0.00 2.99 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 97 L 8.61 4.91 0.00 1.56 1.64 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.55 4.34 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 1.24 0.00 0.00 99 D 8.80 4.46 0.00 2.71 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 0.00 100 E 8.18 4.07 0.00 2.09 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 2.48 2.44 0.00 101 G 8.88 3.68 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 0.00 0.00 0.00 102 L 8.33 3.99 0.00 1.77 1.88 0.98 1.02 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 0.00 103 A 7.62 4.13 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 0.00 104 I 7.75 3.81 2.02 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 1.44 0.87 0.94 0.00 0.00 105 H 8.98 4.19 0.00 3.21 3.57 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.54 4.05 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.44 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 107 H 7.64 4.58 0.00 3.41 3.37 0.00 5.61 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 0.00 108 A 8.06 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 0.00 109 E 7.92 4.01 0.00 2.06 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 2.31 2.37 0.00 110 A 7.46 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 0.00 111 I 7.34 4.14 2.05 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.94 0.00 0.00 *113 S 7.96 4.40 0.00 3.93 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 0.00 114 R 7.72 3.93 0.00 1.85 2.06 0.00 3.10 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 115 V 8.05 3.53 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 0.86 0.00 0.00 0.96 0.00 0.00 116 H 8.23 3.94 0.00 3.35 3.59 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.82 4.50 0.00 2.92 2.76 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 0.00 118 E 7.90 4.08 0.00 2.07 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 2.33 2.47 0.00 119 L 7.09 3.87 0.00 1.19 1.09 0.69 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.91 4.67 0.00 3.24 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 0.00 121 A 7.63 4.01 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 0.00 122 P 0.00 4.53 0.00 2.21 2.17 0.00 3.87 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 123 L 8.12 4.77 0.00 1.76 1.67 1.05 0.87 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 0.00 124 T 8.64 4.10 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 1.27 0.00 0.00 125 P 0.00 4.24 0.00 2.17 2.15 0.00 3.60 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 2.12 2.16 0.00 126 V 7.72 3.55 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 1.06 0.00 0.00 0.93 0.00 0.00 127 E 8.23 4.01 0.00 2.32 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 2.34 2.36 0.00 128 Q 8.23 3.91 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.75 0.00 129 A 8.00 3.95 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 0.00 130 T 7.84 3.76 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 131 L 8.27 3.89 0.00 1.83 1.65 0.94 0.93 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 0.00 132 V 7.90 3.48 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 0.90 0.00 0.00 0.85 0.00 0.00 133 H 7.87 4.08 0.00 3.17 3.48 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.06 4.09 0.00 1.76 1.70 0.96 0.63 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 0.00 135 L 8.02 3.96 0.00 2.03 1.72 0.95 0.89 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 0.00 136 D 8.01 4.40 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 0.00 137 Q 7.86 4.13 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 138 C 7.75 4.40 0.00 3.06 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 0.00 139 L 6.80 4.47 0.00 1.66 1.58 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.21 4.10 1.23 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 0.00 0.00 141 A 8.38 4.20 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 8.21 4.54 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 143 P 0.00 4.43 0.00 2.17 2.05 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 144 L 8.29 4.71 0.00 1.60 1.60 0.94 0.86 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 0.00 145 E 8.73 4.71 0.00 1.92 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 2.21 2.28 0.00 146 D 8.70 4.88 0.00 2.61 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 0.00 147 I 7.47 4.10 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 1.27 0.70 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.