NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3236 8.1749 110.9400 60.4312 70.1142 173.5645 3 P 4.1759 0.0000 0.0000 61.4018 31.9123 174.0930 4 T 4.7010 8.4317 111.0766 59.6074 72.3138 172.7641 5 L 4.7466 8.3444 124.1170 53.2477 44.9417 175.1457 6 E 4.9408 8.6999 124.7504 54.8404 32.3771 174.9448 7 T 5.2812 8.4007 112.4628 60.0057 72.8744 172.9999 8 K 4.5648 8.8263 122.3317 54.8413 35.6061 174.5174 9 Y 4.5196 9.0160 129.4273 58.4591 38.6317 175.4958 10 V 4.2306 7.3422 119.3641 62.4645 34.5944 175.3497 11 F 4.6511 6.0524 112.4619 56.5793 41.2429 172.8927 12 T 5.1355 8.8671 115.5444 61.9254 71.5715 173.4753 13 I 4.6187 8.6544 128.1252 60.5690 38.9900 174.8740 14 T 4.9213 8.7841 124.4861 61.7772 70.6974 173.3832 15 A 4.9631 8.7349 128.9429 49.9614 21.6318 175.3842 16 R 4.5979 8.7972 123.3978 55.8956 31.2909 176.0720 17 I 4.8616 8.8405 117.5451 59.3185 40.6437 175.1050 18 G 4.4491 7.9264 110.2645 44.5287 0.0000 172.6799 19 D 4.6042 8.7040 119.1159 54.6622 41.4340 176.4398 20 V 4.3327 8.0401 115.3363 61.0493 33.2710 175.6037 21 T 4.6222 8.6606 120.0614 61.8315 71.5707 172.7791 22 S 5.1578 8.7905 120.7311 56.6786 63.8832 173.5229 23 A 4.2212 9.7363 129.3317 52.5285 19.5046 177.8440 24 G 3.9528 8.5096 102.5501 45.7714 0.0000 173.9362 *29 G 4.0145 8.0524 107.7881 45.8691 0.0000 176.2308 30 V 4.1101 6.5320 125.7214 61.5008 33.1335 173.3991 31 R 5.1080 8.5691 128.6474 55.1508 31.7450 174.9994 32 R 4.8768 9.1121 121.8307 54.7741 33.9034 173.8645 33 I 4.8509 8.9650 120.8343 59.6662 40.9784 174.4294 34 I 4.6545 8.2203 127.9685 58.6242 39.7436 173.5030 35 P 4.6842 0.0000 0.0000 62.6147 32.6120 175.5993 36 I 4.4865 8.1866 125.2301 60.5285 37.1684 175.6792 37 L 4.3908 9.5922 127.2387 53.6842 43.4817 177.6252 38 G 4.1366 8.2082 105.9929 46.5060 0.0000 169.0900 39 G 3.8307 7.6821 107.3175 43.8201 0.0000 171.4974 40 E 5.1459 8.7552 116.2351 54.6440 33.9158 174.5261 41 V 4.7560 8.7594 119.6214 60.9172 34.7074 174.1548 42 K 4.8693 8.6078 127.9997 55.0066 35.6593 175.4405 43 G 4.4671 8.4195 112.7472 46.1093 0.0000 171.7499 44 E 4.1920 8.9616 120.0069 58.1262 29.0188 177.7692 45 G 3.9491 9.0094 113.3761 44.9040 0.0000 172.1244 46 I 4.5531 7.2855 121.1059 59.5508 39.5673 175.0006 47 S 4.9235 8.3887 121.7935 57.3037 65.8667 172.9499 48 G 4.2991 8.5539 113.0868 45.9896 0.0000 171.3785 49 Q 5.1405 8.5530 118.3352 53.5591 31.9088 176.0155 50 V 4.3061 8.4525 124.3718 63.0140 32.1551 175.7913 51 L 4.2507 8.2428 127.7612 52.8833 42.4009 175.6528 52 P 4.4704 0.0000 0.0000 60.1754 30.6069 174.5003 53 F 4.6719 6.9917 111.4067 57.0909 40.8916 173.5323 54 G 4.0510 10.2348 106.2845 45.9881 0.0000 171.9207 55 A 4.7742 8.1595 118.2044 50.6935 23.0369 174.6275 56 D 4.9600 8.7862 120.0437 52.9947 42.8211 175.4366 57 F 5.1518 9.1411 126.4167 56.5106 39.7371 175.3640 58 Q 5.0510 9.5679 123.6977 54.0705 32.2058 174.9137 59 I 4.8954 8.2754 122.4070 59.6861 40.3952 174.7238 60 I 4.7060 8.6607 128.9263 59.9404 38.2173 176.3609 61 R 4.4063 9.0535 127.2564 55.1704 30.6018 176.3673 62 P 4.2744 0.0000 0.0000 64.9858 31.4090 177.2375 63 N 4.7433 8.0972 114.1461 52.6108 37.3852 175.1375 64 E 3.9477 8.5493 116.4162 56.9111 27.6633 173.7542 65 L 4.7804 7.6854 121.2044 53.9083 44.5122 175.4223 66 I 4.8716 8.2815 125.5836 59.5553 39.9425 174.6819 67 E 4.5823 9.3692 128.7987 55.8135 30.5358 175.8898 68 L 4.8962 9.0769 125.8615 53.7504 44.1871 176.2665 69 E 5.4277 9.8055 123.4229 55.3582 31.7781 172.3038 70 A 5.4210 9.2022 126.2877 49.6749 22.4310 175.7017 71 K 5.1867 9.0401 120.0855 55.1939 35.9141 175.1210 72 Y 5.1198 8.3822 123.3029 56.5661 41.4466 173.2161 73 A 5.2806 8.7229 119.0169 51.1261 23.5117 175.1346 74 F 5.3500 8.7405 113.3498 55.2955 42.3963 173.2179 75 E 5.1282 9.0820 120.3411 54.5657 32.2645 175.7688 76 T 4.5990 8.6071 117.8066 60.9986 70.3276 175.4854 77 D 4.3965 8.5750 121.4575 57.4361 40.9231 178.2918 78 D 4.3984 8.0580 118.2375 56.1504 40.9439 177.2635 79 G 4.0164 7.8391 105.9661 44.8028 0.0000 172.8705 80 A 4.1026 7.7011 122.7569 51.4365 19.3352 177.2580 81 V 4.3703 8.2519 123.1900 61.2947 33.2105 175.0628 82 V 4.2026 8.3081 128.1604 60.9373 33.8597 173.6781 83 Y 4.7727 8.9260 130.7094 57.2875 40.2166 174.0350 84 V 4.2400 8.7963 126.9314 60.7506 34.4543 173.7302 85 E 4.5027 8.3008 128.4150 54.4340 32.2307 174.1017 86 N 5.0978 9.3383 127.9295 51.9812 40.9825 173.0616 87 V 4.8721 8.2552 127.0587 60.7303 34.5727 175.7562 88 G 4.0511 7.9570 113.1534 46.1557 0.0000 171.1355 89 I 5.6733 7.9412 111.9439 58.6883 41.6694 174.2038 90 R 5.1188 8.5550 123.9868 54.8389 32.9799 173.9713 91 F 5.2670 10.0418 128.0191 57.5260 43.7471 172.6586 92 G 4.3473 6.9399 105.8701 42.0775 0.0000 171.0431 93 P 4.1678 0.0000 0.0000 62.4055 32.0021 177.7013 94 V 3.5852 8.4739 115.5531 64.7321 31.3058 178.3727 95 E 3.9688 8.0837 118.3880 59.1600 29.4089 178.7062 96 L 4.0131 7.8619 118.8128 57.5468 41.7101 179.4025 97 L 4.0197 7.7185 118.7111 57.7123 41.4183 179.4779 98 R 4.0087 7.7892 117.2333 58.8102 30.3426 178.9293 99 K 4.1269 7.8260 118.7451 59.4611 32.0710 179.3309 100 L 4.0016 7.6614 119.3561 57.6233 41.3682 179.2743 101 K 4.0981 7.8424 117.5208 58.3625 32.1458 177.8404 102 R 4.2797 7.4289 117.4447 57.3328 30.5908 176.6827 103 G 4.0524 7.8183 104.7672 45.0108 0.0000 173.6026 104 E 4.0453 7.8635 120.9709 55.2405 30.2330 174.5050 105 P 4.4440 0.0000 0.0000 62.4844 32.0793 175.9429 106 V 4.3482 7.9794 121.3838 60.4930 34.6569 174.3637 107 D 4.4105 8.6099 125.6128 53.8173 41.2913 175.0643 108 P 4.3867 0.0000 0.0000 65.3762 31.5809 178.9297 109 K 4.1098 8.0730 116.5969 58.5875 32.0172 178.0455 110 V 3.9518 7.7135 117.0591 63.5609 31.8949 175.4738 111 I 4.4890 7.2497 119.7518 60.2911 39.3457 174.7780 112 Y 4.4394 8.8028 127.2195 56.6788 39.9778 174.1638 113 F 5.4785 8.3827 129.2570 56.2861 40.9304 172.2691 114 R 5.1835 8.9144 122.6541 54.0010 33.9827 174.3991 115 T 5.1869 8.9896 112.1847 60.1181 73.3678 172.6730 116 R 5.0298 9.3963 122.3375 53.8201 32.0190 172.2959 117 P 4.5455 0.0000 0.0000 62.3668 32.5394 175.8614 118 R 4.4431 8.4708 122.0657 54.6250 32.6426 175.2441 119 F 5.2958 8.3716 119.2258 55.7614 42.8912 174.3103 120 E 4.8120 9.1874 120.9752 55.0952 32.8859 175.0220 121 T 4.8858 8.6210 119.7647 62.1163 72.7462 174.1522 122 G 3.9266 8.7058 111.2895 45.5435 0.0000 173.2970 123 H 4.3724 7.9841 121.7177 54.7935 30.3663 174.1068 124 P 4.3963 0.0000 0.0000 65.8119 31.2383 177.3206 125 N 4.5365 8.5784 115.6192 55.6893 38.9609 175.3026 126 Y 4.6570 8.1591 113.8154 57.8033 38.1365 177.6716 127 Q 4.2148 8.3523 121.6106 58.4490 28.7353 178.0231 128 W 4.6384 8.5155 115.1315 59.3951 28.3780 178.8484 129 L 4.4794 6.6835 118.7386 54.6712 39.9884 177.9833 *131 Q 4.3004 8.0848 116.5867 55.5328 30.5424 174.6018 132 Y 4.6209 7.5898 114.3193 55.7622 41.8301 174.4264 133 L 4.6201 8.0220 122.9167 54.3143 44.0868 175.1953 134 F 5.4547 8.7295 121.7109 55.6964 42.9547 174.2718 135 V 4.5712 8.9261 121.8483 61.1542 34.2100 174.5157 136 G 4.3746 9.0646 115.2920 44.8257 0.0000 172.3137 137 S 5.0566 9.0251 117.8715 56.2004 64.8322 172.8107 138 A 5.0711 8.5670 128.2324 49.8480 22.2654 174.8064 139 A 4.6963 8.5186 119.6074 50.4986 22.6374 175.1802 140 R 4.8186 8.8633 122.9851 55.0548 31.4329 175.0291 141 H 5.0115 9.0507 122.4576 53.2982 32.3845 174.5398 142 A 3.9713 8.7902 123.4233 54.8271 18.3549 178.2823 143 D 4.8443 8.0411 113.3219 53.4821 41.2414 175.6218 144 R 5.0868 7.5247 115.4309 54.8940 33.6718 174.0539 145 V 4.7481 8.7081 119.7280 61.2384 34.4333 174.2519 146 V 4.5204 8.7622 128.9274 61.5907 33.2740 174.3903 147 I 4.4769 9.0497 130.3446 59.6306 39.4981 174.7574 148 D 5.0046 9.1212 129.0038 53.2622 41.9815 175.9179 149 V 4.1160 8.5984 125.7315 62.2847 32.9262 174.3849 150 H 5.3498 9.2895 125.3722 53.9467 32.0405 172.9043 151 Q 4.3367 9.7410 126.0054 55.4115 30.1960 174.8092 152 V 4.1623 8.4572 128.0998 62.6524 32.2856 175.8216 153 L 4.4995 8.6804 127.5058 54.9110 41.3185 176.4846 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 T 8.17 4.32 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 3 P 0.00 4.18 0.00 2.15 2.05 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 4 T 8.43 4.70 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 5 L 8.34 4.75 0.00 1.56 1.55 0.94 0.90 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 6 E 8.70 4.94 0.00 1.95 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 2.31 2.28 0.00 7 T 8.40 5.28 4.37 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 1.23 0.00 0.00 8 K 8.83 4.56 0.00 1.82 1.64 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.39 7.81 9 Y 9.02 4.52 0.00 2.98 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 10 V 7.34 4.23 2.39 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 0.83 0.00 0.00 0.80 0.00 0.00 11 F 6.05 4.65 0.00 2.93 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 12 T 8.87 5.14 4.36 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 1.36 0.00 0.00 13 I 8.65 4.62 1.99 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.18 1.08 0.00 0.00 14 T 8.78 4.92 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 1.24 0.00 0.00 15 A 8.73 4.96 0.95 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 0.00 0.00 0.00 16 R 8.80 4.60 0.00 1.71 1.82 0.00 3.04 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 17 I 8.84 4.86 1.83 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 1.26 0.65 0.85 0.00 0.00 18 G 7.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.70 4.60 0.00 2.65 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 20 V 8.04 4.33 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 0.67 0.00 0.00 0.93 0.00 0.00 21 T 8.66 4.62 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 22 S 8.79 5.16 0.00 3.86 3.73 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 23 A 9.74 4.22 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 24 G 8.51 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 0.00 0.00 0.00 0.00 *29 G 8.05 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 0.00 0.00 0.00 30 V 6.53 4.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 31 R 8.57 5.11 0.00 2.00 1.80 0.00 3.36 0.00 0.00 3.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 32 R 9.11 4.88 0.00 2.00 1.96 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 33 I 8.96 4.85 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.76 0.00 0.00 34 I 8.22 4.65 1.79 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 1.19 0.74 0.89 0.00 0.00 35 P 0.00 4.68 0.00 2.04 1.95 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 36 I 8.19 4.49 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.35 0.62 0.00 0.00 37 L 9.59 4.39 0.00 1.52 1.66 0.90 0.72 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 38 G 8.21 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.68 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 0.00 0.00 0.00 40 E 8.76 5.15 0.00 2.01 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 0.00 2.14 2.35 0.00 41 V 8.76 4.76 1.46 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 0.20 0.00 0.00 0.03 0.00 0.00 42 K 8.61 4.87 0.00 1.84 1.59 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 43 G 8.42 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 0.00 0.00 0.00 0.00 44 E 8.96 4.19 0.00 1.94 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 2.33 2.33 0.00 45 G 9.01 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 0.00 0.00 0.00 0.00 46 I 7.29 4.55 1.58 0.00 0.00 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 1.30 1.06 0.40 0.00 0.00 47 S 8.39 4.92 0.00 3.84 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 48 G 8.55 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 49 Q 8.55 5.14 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 50 V 8.45 4.31 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 0.74 0.00 0.00 1.00 0.00 0.00 51 L 8.24 4.25 0.00 0.94 0.87 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.47 0.00 2.21 2.17 0.00 3.42 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 53 F 6.99 4.67 0.00 3.13 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 54 G 10.23 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 55 A 8.16 4.77 0.64 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 0.00 0.00 56 D 8.79 4.96 0.00 2.67 2.49 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 57 F 9.14 5.15 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 9.57 5.05 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 59 I 8.28 4.90 1.88 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 1.26 0.69 0.96 0.00 0.00 60 I 8.66 4.71 1.88 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 0.92 0.92 0.00 0.00 61 R 9.05 4.41 0.00 1.85 1.81 0.00 3.35 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 62 P 0.00 4.27 0.00 2.04 2.12 0.00 3.64 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 2.02 2.07 0.00 63 N 8.10 4.74 0.00 2.94 2.93 0.00 0.00 6.20 7.66 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 64 E 8.55 3.95 0.00 2.27 2.29 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 2.25 2.40 0.00 65 L 7.69 4.78 0.00 1.28 1.42 0.10 0.93 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 66 I 8.28 4.87 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 0.90 0.00 0.00 67 E 9.37 4.58 0.00 1.89 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 2.31 2.27 0.00 68 L 9.08 4.90 0.00 1.67 1.85 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 E 9.81 5.43 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 70 A 9.20 5.42 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 9.04 5.19 0.00 2.06 2.07 0.00 1.82 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.56 7.81 72 Y 8.38 5.12 0.00 3.05 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 73 A 8.72 5.28 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 74 F 8.74 5.35 0.00 3.12 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 75 E 9.08 5.13 0.00 2.04 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 2.17 2.19 0.00 76 T 8.61 4.60 4.28 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 0.86 0.00 0.00 77 D 8.58 4.40 0.00 2.74 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 78 D 8.06 4.40 0.00 2.67 2.83 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 79 G 7.84 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 0.00 0.00 0.00 80 A 7.70 4.10 0.72 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 81 V 8.25 4.37 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 0.77 0.00 0.00 0.91 0.00 0.00 82 V 8.31 4.20 0.67 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 0.54 0.00 0.00 0.30 0.00 0.00 83 Y 8.93 4.77 0.00 2.96 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 84 V 8.80 4.24 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 0.00 0.00 0.41 0.00 0.00 0.94 0.00 0.00 85 E 8.30 4.50 0.00 1.49 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 86 N 9.34 5.10 0.00 2.73 2.78 0.00 0.00 6.29 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 87 V 8.26 4.87 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 0.96 0.00 0.00 0.94 0.00 0.00 88 G 7.96 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 89 I 7.94 5.67 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.72 0.96 0.00 0.00 90 R 8.55 5.12 0.00 0.99 1.47 0.00 2.83 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 91 F 10.04 5.27 0.00 3.01 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 92 G 6.94 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 0.00 0.00 0.00 0.00 93 P 0.00 4.17 0.00 2.15 2.11 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 94 V 8.47 3.59 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 0.93 0.00 0.00 0.91 0.00 0.00 95 E 8.08 3.97 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 96 L 7.86 4.01 0.00 1.90 1.67 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.72 4.02 0.00 1.80 1.71 1.05 0.96 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 98 R 7.79 4.01 0.00 1.81 1.99 0.00 3.17 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 99 K 7.83 4.13 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 100 L 7.66 4.00 0.00 1.78 1.69 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.84 4.10 0.00 1.98 1.94 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 102 R 7.43 4.28 0.00 2.13 2.02 0.00 3.42 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 103 G 7.82 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 0.00 104 E 7.86 4.05 0.00 1.94 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 2.29 2.33 0.00 105 P 0.00 4.44 0.00 2.09 2.00 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 106 V 7.98 4.35 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 0.80 0.00 0.00 0.98 0.00 0.00 107 D 8.61 4.41 0.00 2.80 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.39 0.00 2.23 2.11 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 109 K 8.07 4.11 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.38 7.81 110 V 7.71 3.95 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.97 0.00 0.00 111 I 7.25 4.49 2.05 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 1.29 1.01 1.01 0.00 0.00 112 Y 8.80 4.44 0.00 3.15 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 0.00 113 F 8.38 5.48 0.00 2.99 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 0.00 114 R 8.91 5.18 0.00 1.59 1.65 0.00 3.14 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 115 T 8.99 5.19 4.38 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 1.25 0.00 0.00 116 R 9.40 5.03 0.00 1.85 1.83 0.00 3.10 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 117 P 0.00 4.55 0.00 1.37 1.80 0.00 3.92 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 1.96 1.96 0.00 118 R 8.47 4.44 0.00 1.47 1.66 0.00 3.02 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 119 F 8.37 5.30 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 9.19 4.81 0.00 2.12 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 2.29 2.32 0.00 121 T 8.62 4.89 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 1.14 0.00 0.00 122 G 8.71 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 0.00 123 H 7.98 4.37 0.00 3.20 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.40 0.00 2.24 2.19 0.00 3.48 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 1.89 1.93 0.00 125 N 8.58 4.54 0.00 2.99 2.58 0.00 0.00 6.82 7.46 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 0.00 126 Y 8.16 4.66 0.00 3.08 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 0.00 127 Q 8.35 4.21 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.10 0.00 0.00 0.00 0.00 0.00 2.72 2.38 0.00 128 W 8.52 4.64 0.00 3.81 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 6.68 4.48 0.00 1.54 1.44 0.37 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *131 Q 8.08 4.30 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 132 Y 7.59 4.62 0.00 2.45 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 0.00 133 L 8.02 4.62 0.00 1.73 1.47 0.93 0.84 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 0.00 134 F 8.73 5.45 0.00 3.14 2.95 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 0.00 135 V 8.93 4.57 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 1.04 0.00 0.00 0.97 0.00 0.00 136 G 9.06 4.37 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 0.00 137 S 9.03 5.06 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.57 5.07 -0.13 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 0.00 139 A 8.52 4.70 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.86 4.82 0.00 1.93 1.84 0.00 3.34 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 141 H 9.05 5.01 0.00 3.28 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.79 3.97 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 0.00 143 D 8.04 4.84 0.00 2.80 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 0.00 144 R 7.52 5.09 0.00 1.80 2.01 0.00 2.70 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 145 V 8.71 4.75 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 1.07 0.00 0.00 1.02 0.00 0.00 146 V 8.76 4.52 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 0.91 0.00 0.00 0.98 0.00 0.00 147 I 9.05 4.48 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.18 0.82 0.00 0.00 148 D 9.12 5.00 0.00 2.75 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 0.00 149 V 8.60 4.12 1.02 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 0.54 0.00 0.00 0.80 0.00 0.00 150 H 9.29 5.35 0.00 3.21 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.74 4.34 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 152 V 8.46 4.16 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 0.81 0.00 0.00 0.94 0.00 0.00 153 L 8.68 4.50 0.00 1.71 1.59 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.