NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4612 8.3049 120.3255 54.8206 32.4148 174.7174 2 E 4.2013 8.3870 124.4387 54.7097 30.6754 174.7931 3 T 4.9218 8.5999 112.7435 60.1943 73.1223 171.9861 4 Y 4.8213 9.0345 123.6031 55.0990 42.3193 172.3958 5 P 4.8515 0.0000 0.0000 62.3551 32.3071 175.3264 6 I 4.7289 8.5684 118.6592 59.2342 40.4169 174.7296 7 T 5.3476 8.6499 120.1396 62.0732 72.4179 173.6699 8 V 4.2753 9.0117 124.4731 62.6471 34.9285 175.3393 9 G 4.0079 9.9311 116.9022 46.6638 0.0000 173.9768 10 G 3.9540 8.2494 105.1445 45.0677 0.0000 173.3720 11 V 4.2592 7.9812 120.6920 61.6420 32.5555 174.3040 12 T 5.1485 8.3427 123.5482 61.9723 70.9254 174.1279 13 R 4.3086 8.4969 123.2504 54.7025 34.2801 174.1468 14 H 4.9736 8.7590 121.1560 54.8252 29.3368 174.6841 15 V 4.5439 8.2170 117.5477 58.4324 34.6418 174.2759 16 P 5.0804 0.0000 0.0000 62.5583 32.8399 174.5739 17 L 5.2765 8.3497 119.3022 52.8673 44.5366 176.1640 18 I 4.5008 8.4515 114.6093 59.1663 40.7833 174.0407 19 E 5.2152 8.3919 124.9714 53.5692 28.6175 174.3337 20 P 4.0953 0.0000 0.0000 64.2902 32.3164 177.5353 21 L 4.7068 7.4796 118.6774 51.7807 45.6930 173.6523 22 P 4.4326 0.0000 0.0000 64.6081 31.1504 176.1963 23 G 3.9462 9.9166 110.7139 46.1596 0.0000 174.2990 24 R 4.4652 7.8712 118.9043 53.9536 30.7344 174.8407 25 R 4.8096 8.3046 121.3261 55.1148 32.5565 175.2212 26 I 4.9691 8.3155 113.8436 58.4746 41.4231 172.8326 27 P 4.6210 0.0000 0.0000 62.5050 32.1730 175.8288 28 L 4.1737 8.5159 126.6067 54.3131 42.4847 176.2300 29 V 3.8629 8.1434 127.0575 61.3876 32.1846 174.7426 30 E 4.4540 8.2733 127.3663 54.7119 31.8508 174.6003 31 F 4.7374 8.6697 125.3759 59.0586 39.8846 176.3408 32 L 4.2383 7.9978 121.0333 56.4195 41.6275 177.7820 33 G 4.0176 9.1541 111.0421 45.6440 0.0000 173.2645 34 D 4.9147 8.0106 119.5231 50.6199 41.2237 173.8204 35 P 4.2879 0.0000 0.0000 65.2675 31.8455 177.2793 36 E 3.9748 8.2253 117.3576 59.3587 29.6400 178.5015 37 F 4.6142 8.6772 120.6619 61.6151 39.4621 177.3483 38 T 3.5553 8.4667 115.7643 66.4315 68.1433 176.5870 39 R 3.7959 8.3678 120.7403 59.3238 30.1757 178.3995 40 A 3.9252 7.9311 120.0014 55.0817 18.3723 179.5376 41 A 3.6676 7.7793 119.0228 55.1479 18.3927 179.7279 42 A 3.7598 8.0842 119.7204 55.3256 18.1807 179.7500 43 E 3.9242 8.2090 116.1777 59.1435 29.5538 179.0307 44 A 4.0897 7.5245 120.3298 54.8329 18.6844 179.2738 45 L 4.0299 7.8612 117.6044 57.2189 41.7032 179.1368 46 R 3.8272 7.7969 119.1133 59.3386 29.7370 176.6067 47 P 4.3852 0.0000 0.0000 64.4929 31.4394 177.5648 48 L 4.3603 7.8651 116.9157 54.2265 42.1034 176.8258 49 V 3.7790 7.0476 120.2034 61.4188 32.1724 174.0076 50 P 4.3573 0.0000 0.0000 62.3335 31.7533 177.4284 51 K 4.0111 8.6087 123.3081 58.8620 32.2960 177.4777 52 E 4.1258 8.0790 114.8202 57.3758 30.2461 176.7159 53 A 4.0127 7.5036 122.6449 53.2716 18.6800 176.8219 54 E 4.7213 8.7095 119.7239 56.4920 32.3516 176.1589 55 I 4.5964 7.5219 117.4326 59.9863 41.5771 173.2438 56 L 5.1810 8.5615 127.6107 53.5114 44.4661 175.3570 57 F 5.1382 9.0292 122.9279 57.1008 42.7783 173.4937 58 T 5.5355 8.8468 119.9010 60.9422 71.6445 171.8415 59 T 5.3010 8.3887 112.6022 59.3187 71.4232 173.8865 60 E 4.2468 8.8917 121.6276 57.2878 30.2801 176.3521 61 T 4.4840 8.5123 115.6091 65.4127 70.8642 176.7771 62 S 4.2240 8.3801 115.6554 61.5394 63.0011 174.6605 63 P 4.5080 0.0000 0.0000 64.2637 30.9789 178.3956 64 I 3.7068 7.8411 120.1594 63.9794 37.1332 176.3589 65 P 4.2470 0.0000 0.0000 65.6884 31.0468 178.0304 66 L 3.6055 7.6952 119.5088 58.2767 42.0143 179.0551 67 T 3.6699 8.0002 115.9955 66.4560 68.2435 176.3229 68 H 3.2632 8.0921 120.6087 59.0293 29.9030 177.5065 69 V 3.5223 7.6790 119.9619 65.8071 31.3174 177.7244 70 L 3.8077 7.7389 119.8513 57.9184 41.9495 178.6528 71 A 3.9224 8.0751 121.1137 55.2962 18.4656 179.2140 72 E 3.8873 8.2294 117.5413 59.4028 29.4590 178.8563 73 A 4.0044 7.9401 119.8864 54.7402 18.5198 178.8285 74 L 4.3090 7.9008 115.4018 54.3913 42.1248 177.2816 75 G 3.8748 7.7904 106.4993 46.5154 0.0000 173.2491 76 L 4.9939 8.2116 118.2826 51.9106 45.5354 174.9148 77 P 4.9515 0.0000 0.0000 62.6412 34.2244 173.3928 78 Y 5.2429 7.7243 116.3555 56.5399 40.9035 173.8460 79 V 3.2231 8.4417 111.9078 58.9833 36.2520 175.1252 80 V 4.6434 5.9379 120.6882 61.0302 34.1059 174.5976 81 A 4.6204 8.7920 130.4100 51.5717 20.2416 176.8089 82 R 4.7643 9.5238 121.5730 55.1622 32.6050 177.3551 83 R 4.7187 9.7266 118.5834 55.1316 30.4072 176.6626 84 R 4.2730 7.1692 112.0051 54.8176 31.5103 174.4930 85 R 2.9776 6.8327 119.8181 56.0063 30.7336 175.9977 86 R 4.5242 7.7919 122.3883 53.1326 33.1071 173.5813 87 P 3.9402 0.0000 0.0000 64.6074 31.5163 176.2720 88 Y 3.7534 8.1455 118.1870 58.4437 35.3829 169.1869 89 M 4.2159 7.8210 120.5715 55.7538 32.8423 175.4633 90 E 4.2015 10.0277 126.3222 56.9816 31.2199 177.8264 91 D 4.4901 7.8240 122.6788 53.0791 38.6665 172.9016 92 P 4.8702 0.0000 0.0000 62.9109 33.2189 177.4789 93 I 4.2263 8.7875 122.9427 60.7487 38.5591 174.7683 94 I 4.4727 8.1672 127.5611 59.3080 39.4733 174.8564 95 Q 4.3815 8.6705 127.7457 54.2535 32.2400 173.7244 96 E 4.4432 8.7576 126.2459 55.9839 30.6508 176.3260 97 V 3.8900 8.6183 125.4110 61.8300 32.3483 175.2443 98 Q 4.0024 8.8392 127.3399 56.4630 28.8441 177.6316 99 T 4.0651 8.1209 122.3862 61.2886 67.7436 173.3931 *105 G 3.7808 8.3525 107.9731 45.2688 0.0000 172.1882 106 E 4.3338 8.3984 120.7113 56.1213 31.3586 175.9602 107 V 4.7782 8.3356 121.3951 61.2650 35.0171 174.0096 108 L 5.1975 9.1239 127.9079 53.2745 44.1429 175.5065 109 W 5.1787 9.6793 122.4406 54.8436 32.6327 174.0038 110 L 4.9836 9.1440 127.7305 52.8759 44.0100 175.3655 111 D 4.7257 9.0533 126.1840 54.3079 42.0571 176.8137 112 R 3.9667 8.8876 125.5902 59.9243 29.7477 179.1602 113 R 4.1525 8.4040 118.5258 58.5599 30.2263 178.7323 114 F 4.6685 7.8790 116.8690 60.3200 39.1143 177.4021 115 A 4.0999 8.2206 120.4337 55.5231 18.1097 179.5498 116 E 3.9543 8.5234 116.7195 59.1080 29.2720 179.0457 117 K 4.1823 8.0056 116.6408 57.5424 32.7362 178.0020 118 L 4.5354 8.0223 119.1681 53.8995 41.8483 175.9459 119 L 4.1957 6.9307 121.2449 56.4525 42.0951 176.1254 120 N 4.3398 9.6609 123.3598 54.1622 36.7718 173.8703 121 Q 4.8280 7.8787 117.3096 54.4936 31.6817 175.1445 122 R 4.4136 8.4743 121.6086 55.5424 31.3515 175.7323 123 V 4.7419 8.6450 125.1170 61.2366 34.3292 174.6137 124 V 4.8579 8.5025 126.4043 61.0472 34.0275 174.4896 125 L 4.8819 8.8689 128.9820 54.4983 42.9669 176.2380 126 V 4.9519 8.7483 122.7358 61.3905 34.5572 174.3816 127 S 4.8007 8.9034 120.8739 56.8762 66.1229 174.2092 128 D 4.6809 8.9527 123.0369 55.8492 40.6544 176.3845 129 V 5.1710 7.8290 116.8669 60.7380 35.0829 174.8850 130 V 4.1458 8.9018 125.9572 60.9630 33.7286 173.6001 131 A 4.9123 9.2086 124.9576 52.0415 21.8896 178.0412 132 S 4.0377 8.3899 111.1489 58.7267 64.5871 176.9094 133 G 4.0520 8.3597 107.6859 44.8931 0.0000 174.7411 134 E 3.9487 8.4414 120.2591 59.7281 29.2981 179.2993 135 T 3.8926 7.8552 115.1519 67.0564 68.5539 176.5244 136 M 4.0209 7.9834 119.9632 58.1968 31.9737 178.9204 137 R 3.8629 8.0927 118.3478 59.0271 30.2912 178.8910 138 A 3.9342 8.0681 120.5496 55.3774 18.4220 179.5150 139 M 3.7124 8.1755 117.5050 58.4401 31.9300 178.5742 140 E 3.7319 8.2660 119.6649 59.2663 29.7798 179.0357 141 K 3.9283 7.9870 118.4249 59.6853 32.1387 179.2815 142 M 4.1080 7.8367 118.9896 58.0781 31.8682 178.9079 143 V 3.6456 7.6314 118.4757 66.0255 31.7346 178.0458 144 L 4.2545 7.9370 120.0698 57.5055 41.2763 179.8553 145 R 3.9812 8.0043 116.3933 58.8296 30.0507 178.2623 146 A 4.3846 7.7153 118.4962 52.5327 18.8976 177.9524 147 G 4.0511 8.8247 106.9193 45.0522 0.0000 173.3199 148 G 4.6773 8.1254 107.3686 45.3850 0.0000 171.5450 149 H 4.9533 8.3038 113.0236 54.1020 32.3406 173.1893 150 V 4.2347 8.3848 120.7779 63.2861 31.4384 175.9683 151 V 4.3163 8.6521 121.1532 61.2782 32.5644 175.9539 152 A 4.4224 7.1500 119.4630 51.2004 22.4996 175.3981 153 R 4.9369 8.2366 119.1155 54.4301 33.7568 174.5733 154 L 5.4723 9.3616 123.3922 53.0824 46.1620 175.5376 155 A 5.6969 8.5939 122.0684 50.7750 22.8183 177.4364 156 V 3.3640 8.8149 121.2193 65.7377 32.6004 175.6805 157 F 5.4284 8.6055 119.0617 55.6459 42.0922 174.3160 158 R 4.9997 9.1944 122.5793 54.6499 32.4864 174.1799 159 Q 4.7972 9.0579 128.3014 54.6444 30.6085 174.7650 160 G 3.9491 9.0213 117.6967 46.7589 0.0000 174.3603 161 T 4.4665 8.2821 116.5746 58.7875 70.0076 172.3963 162 P 5.1269 0.0000 0.0000 62.3033 31.9138 176.4095 163 G 4.0656 8.7792 110.7251 45.2798 0.0000 173.2912 164 L 4.5230 7.3581 119.0932 52.7413 45.1452 175.5120 165 A 4.2248 8.4413 126.9206 51.7929 18.1938 177.2581 166 V 4.6055 7.9482 121.7675 61.8003 34.9525 174.4471 167 D 4.7661 8.9383 128.4800 54.3459 41.7673 175.6368 168 T 5.7341 8.3459 112.2504 59.2031 71.9717 173.8047 169 V 4.4015 8.3248 113.1861 61.4007 33.6295 175.7199 170 A 4.7158 7.6070 120.7652 50.5432 22.8680 174.1921 171 E 5.0494 8.8536 120.1159 54.5648 31.6366 174.8679 172 L 4.7239 9.3494 130.6419 52.8565 42.9662 174.2883 173 P 4.5081 0.0000 0.0000 62.6892 32.6024 175.6508 174 V 4.2823 8.1739 121.5476 61.3292 33.0270 175.5925 175 L 4.1857 9.0650 128.0891 54.8599 41.6759 176.2889 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 1 M 8.30 4.46 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 2 E 8.39 4.20 0.00 2.02 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 0.00 2.40 2.37 0.00 3 T 8.60 4.92 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 1.26 0.00 0.00 4 Y 9.03 4.82 0.00 2.98 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 5 P 0.00 4.85 0.00 1.92 1.95 0.00 2.46 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.68 0.00 6 I 8.57 4.73 2.05 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 0.93 0.00 0.00 7 T 8.65 5.35 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 1.32 0.00 0.00 8 V 9.01 4.28 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 0.87 0.00 0.00 0.91 0.00 0.00 9 G 9.93 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 10 G 8.25 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 11 V 7.98 4.26 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 1.16 0.00 0.00 1.04 0.00 0.00 12 T 8.34 5.15 4.18 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 1.01 0.00 0.00 13 R 8.50 4.31 0.00 1.01 1.33 0.00 2.96 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 0.00 14 H 8.76 4.97 0.00 2.99 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.22 4.54 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 0.56 0.00 0.00 0.99 0.00 0.00 16 P 0.00 5.08 0.00 2.09 2.18 0.00 3.77 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 2.04 1.82 0.00 17 L 8.35 5.28 0.00 1.49 1.54 0.90 0.74 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 18 I 8.45 4.50 1.85 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 1.20 0.90 0.89 0.00 0.00 19 E 8.39 5.22 0.00 2.02 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 2.45 2.23 0.00 20 P 0.00 4.10 0.00 2.20 2.16 0.00 3.96 0.00 0.00 3.62 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 21 L 7.48 4.71 0.00 1.48 1.52 0.91 0.85 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 22 P 0.00 4.43 0.00 2.16 2.09 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 23 G 9.92 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 0.00 0.00 0.00 0.00 24 R 7.87 4.47 0.00 1.87 1.81 0.00 3.30 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 25 R 8.30 4.81 0.00 1.63 1.76 0.00 3.03 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 26 I 8.32 4.97 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.90 0.00 0.00 27 P 0.00 4.62 0.00 1.85 2.08 0.00 3.52 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 28 L 8.52 4.17 0.00 1.58 1.65 0.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.14 3.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.30 0.00 0.00 30 E 8.27 4.45 0.00 1.84 1.73 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 2.18 2.53 0.00 31 F 8.67 4.74 0.00 3.21 3.06 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 32 L 8.00 4.24 0.00 1.82 1.69 0.96 1.06 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 33 G 9.15 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 34 D 8.01 4.91 0.00 2.77 2.86 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 0.00 0.00 0.00 35 P 0.00 4.29 0.00 2.24 2.13 0.00 3.71 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 36 E 8.23 3.97 0.00 2.09 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 2.50 2.44 0.00 37 F 8.68 4.61 0.00 3.37 3.26 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 38 T 8.47 3.56 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 1.06 0.00 0.00 39 R 8.37 3.80 0.00 1.97 2.14 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 A 7.93 3.93 1.48 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 41 A 7.78 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.08 3.76 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 43 E 8.21 3.92 0.00 2.03 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 2.30 2.43 0.00 44 A 7.52 4.09 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 45 L 7.86 4.03 0.00 1.61 1.63 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.80 3.83 0.00 1.98 2.03 0.00 3.06 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 1.60 1.66 0.00 47 P 0.00 4.39 0.00 2.03 2.07 0.00 3.76 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 1.99 2.14 0.00 48 L 7.87 4.36 0.00 1.69 1.68 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.05 3.78 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.36 0.00 2.20 1.94 0.00 3.64 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 2.22 2.06 0.00 51 K 8.61 4.01 0.00 1.70 1.84 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.43 7.81 52 E 8.08 4.13 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 2.26 2.29 0.00 53 A 7.50 4.01 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 54 E 8.71 4.72 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 55 I 7.52 4.60 1.89 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 1.37 1.46 0.95 0.00 0.00 56 L 8.56 5.18 0.00 1.76 1.57 0.86 0.87 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 57 F 9.03 5.14 0.00 3.07 2.70 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 58 T 8.85 5.54 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 1.29 0.00 0.00 59 T 8.39 5.30 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 1.39 0.00 0.00 60 E 8.89 4.25 0.00 2.07 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 2.35 0.00 61 T 8.51 4.48 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 1.26 0.00 0.00 62 S 8.38 4.22 0.00 3.94 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.51 0.00 2.35 2.14 0.00 3.81 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 2.25 2.44 0.00 64 I 7.84 3.71 2.02 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 1.67 0.81 1.01 0.00 0.00 65 P 0.00 4.25 0.00 2.27 2.33 0.00 3.83 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 2.25 2.11 0.00 66 L 7.70 3.61 0.00 1.19 1.70 0.33 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.00 3.67 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 0.85 0.00 0.00 68 H 8.09 3.26 0.00 3.16 3.32 0.00 5.79 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 69 V 7.68 3.52 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 0.87 0.00 0.00 0.92 0.00 0.00 70 L 7.74 3.81 0.00 1.75 1.68 0.90 0.93 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 71 A 8.08 3.92 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 72 E 8.23 3.89 0.00 1.99 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 2.30 2.33 0.00 73 A 7.94 4.00 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 74 L 7.90 4.31 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 83 R 9.73 4.72 0.00 1.93 2.04 0.00 3.22 0.00 0.00 3.33 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 84 R 7.17 4.27 0.00 1.66 1.80 0.00 2.92 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 85 R 6.83 2.98 0.00 0.67 1.04 0.00 3.02 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.22 0.00 86 R 7.79 4.52 0.00 1.75 1.68 0.00 3.26 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 87 P 0.00 3.94 0.00 1.65 1.30 0.00 3.63 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.88 0.00 88 Y 8.15 3.75 0.00 3.16 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 89 M 7.82 4.22 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 90 E 10.03 4.20 0.00 2.18 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 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0.00 0.00 0.00 0.00 0.00 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 *105 G 8.35 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 0.00 0.00 0.00 106 E 8.40 4.33 0.00 1.94 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 2.43 2.29 0.00 107 V 8.34 4.78 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 0.68 0.00 0.00 0.97 0.00 0.00 108 L 9.12 5.20 0.00 1.62 1.68 1.00 0.80 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 0.00 109 W 9.68 5.18 0.00 3.20 3.18 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 0.00 110 L 9.14 4.98 0.00 1.85 1.64 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 D 9.05 4.73 0.00 2.73 2.40 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 0.00 112 R 8.89 3.97 0.00 2.30 1.93 0.00 3.23 0.00 0.00 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0.00 0.00 129 V 7.83 5.17 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 0.92 0.00 0.00 1.05 0.00 0.00 130 V 8.90 4.15 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 0.73 0.00 0.00 0.95 0.00 0.00 131 A 9.21 4.91 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 0.00 132 S 8.39 4.04 0.00 4.02 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 0.00 133 G 8.36 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 0.00 134 E 8.44 3.95 0.00 2.01 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 2.33 2.65 0.00 135 T 7.86 3.89 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 1.26 0.00 0.00 136 M 7.98 4.02 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 137 R 8.09 3.86 0.00 2.01 1.95 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 138 A 8.07 3.93 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 0.00 139 M 8.18 3.71 0.00 1.29 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.63 0.00 140 E 8.27 3.73 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 2.25 2.29 0.00 141 K 7.99 3.93 0.00 1.97 1.81 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.64 7.81 142 M 7.84 4.11 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 143 V 7.63 3.65 2.19 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 1.07 0.00 0.00 0.75 0.00 0.00 144 L 7.94 4.25 0.00 1.86 1.70 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.00 3.98 0.00 1.95 2.01 0.00 3.13 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 146 A 7.72 4.38 1.51 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 0.00 0.00 147 G 8.82 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 0.00 148 G 8.13 4.68 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 0.00 149 H 8.30 4.95 0.00 3.12 3.35 0.00 5.26 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.38 4.23 2.25 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 0.79 0.00 0.00 0.83 0.00 0.00 151 V 8.65 4.32 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 0.69 0.00 0.00 0.94 0.00 0.00 152 A 7.15 4.42 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.24 4.94 0.00 1.71 1.78 0.00 3.22 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 154 L 9.36 5.47 0.00 1.45 1.46 0.88 0.52 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 0.00 155 A 8.59 5.70 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 0.00 156 V 8.81 3.36 2.37 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 0.27 0.00 0.00 0.79 0.00 0.00 157 F 8.61 5.43 0.00 3.05 2.93 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 0.00 158 R 9.19 5.00 0.00 1.88 1.82 0.00 3.07 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 159 Q 9.06 4.80 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.34 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 160 G 9.02 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 0.00 161 T 8.28 4.47 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 0.00 162 P 0.00 5.13 0.00 2.21 2.05 0.00 3.73 0.00 0.00 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 163 G 8.78 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.36 4.52 0.00 1.52 1.48 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 165 A 8.44 4.22 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 0.00 166 V 7.95 4.61 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 0.92 0.00 0.00 167 D 8.94 4.77 0.00 2.72 2.55 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 0.00 0.00 0.00 0.00 168 T 8.35 5.73 4.23 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 1.32 0.00 0.00 169 V 8.32 4.40 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 0.64 0.00 0.00 0.74 0.00 0.00 170 A 7.61 4.72 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.85 5.05 0.00 2.04 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 2.27 2.34 0.00 172 L 9.35 4.72 0.00 1.61 1.66 0.55 0.85 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 0.00 173 P 0.00 4.51 0.00 1.95 2.05 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.05 0.00 174 V 8.17 4.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 175 L 9.07 4.19 0.00 1.52 1.38 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.