NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1728 8.2649 123.5793 51.9264 19.8252 176.4807 3 R 4.1814 8.2458 119.5926 54.5008 30.4112 174.9477 4 K 4.4082 9.1322 125.1090 56.1406 34.2605 176.1577 5 V 4.6743 9.0941 124.3696 61.3770 33.5106 174.3685 6 I 4.9862 9.2355 129.0587 59.3534 40.3601 174.1518 7 L 5.1351 8.7874 128.6686 53.3083 44.5207 174.8431 8 F 5.6637 9.3240 127.6868 55.9136 41.7513 173.1559 9 I 4.6063 8.0207 124.9351 59.7162 41.4837 173.3221 10 A 5.5807 8.5437 128.8001 49.6262 21.6504 175.8847 *12 S 4.1878 8.2240 113.0020 57.8586 64.2468 174.9792 13 I 3.4931 8.2385 121.5550 64.4315 36.5963 177.1349 14 D 4.6979 7.9828 117.0098 53.3643 39.4456 175.8452 15 N 4.2793 8.2835 115.4892 54.8676 36.3584 173.1147 16 Y 5.0152 7.7704 116.4690 57.1170 38.9779 176.4846 17 I 4.2457 8.6729 116.9994 61.3080 39.0067 174.9354 18 A 4.5475 7.4107 122.7424 51.2508 21.8990 175.0020 19 D 5.0847 8.7456 120.1684 52.1843 41.1737 177.0039 20 D 4.3851 8.7593 118.3376 58.0860 40.5450 178.6715 21 Q 4.1068 8.5184 114.7997 56.3502 28.8818 177.1343 22 G 3.8887 8.5583 106.7864 45.2358 0.0000 173.6897 23 A 4.2314 7.9588 122.8185 52.0097 19.3829 178.6429 24 V 4.5197 8.1342 113.5760 61.1297 32.4814 177.6545 25 D 4.4934 7.8278 124.2572 55.7722 38.8573 178.3243 26 W 4.3146 7.8783 118.7043 58.8450 29.4148 178.2445 27 L 4.1951 7.9361 119.0973 57.9126 40.9253 178.8768 28 E 3.9322 8.1475 118.5073 59.3116 29.1669 179.3660 29 K 3.9377 8.1753 119.1751 58.7774 32.3572 176.8844 30 N 4.8297 7.7634 114.4467 52.7599 38.7134 174.7060 31 V 3.8242 7.1925 118.0980 62.8058 32.3562 175.8330 32 H 4.6657 9.8298 124.1113 55.5853 29.2862 172.7507 33 G 4.7540 7.6818 109.8280 43.4053 0.0000 171.1096 34 T 4.6261 7.9337 107.0973 61.0773 69.2752 174.0544 35 E 4.2572 8.5906 121.5962 56.3428 30.1477 176.9957 36 S 4.4599 8.3169 116.1961 58.0699 64.1515 173.0437 37 D 4.8326 8.3931 120.5650 52.2125 43.9915 175.4869 38 D 4.8553 8.3750 123.5581 53.3695 39.7819 178.3205 39 S 4.0615 8.3130 117.6656 62.1105 62.9643 175.5871 40 Y 3.4493 7.9241 120.4807 60.4854 39.0684 177.3942 41 E 3.9407 8.1066 118.0902 59.0978 29.2404 178.5860 42 K 3.7469 7.8795 116.4181 57.7767 31.3108 177.2672 *44 Y 3.9542 7.8033 120.6097 57.2980 40.2933 177.1635 45 S 4.1389 7.7705 113.2397 60.4273 63.4262 175.1318 46 K 4.1675 7.4311 119.5551 56.7259 32.4611 176.0011 47 I 4.7437 6.7860 112.0383 59.4409 39.3341 175.4847 48 D 4.9066 8.7407 121.6602 53.5783 41.1908 175.5195 49 T 5.2031 7.6250 115.9796 62.3828 73.2427 172.8854 50 V 4.8709 9.0195 119.1331 59.6278 34.9820 174.8219 51 I 5.1584 7.8519 124.2593 58.4151 41.3281 175.2729 *53 G 4.1262 8.3956 112.9729 45.2326 0.0000 173.8300 54 R 4.0208 8.4570 117.8552 59.7716 29.9157 178.4962 55 T 3.9587 7.9150 115.1284 66.9181 68.5118 176.7363 56 T 4.1041 7.9171 117.2817 66.6475 68.4821 175.8694 57 Y 4.2082 8.1332 121.5164 60.7999 38.8449 178.1647 58 E 3.7270 8.2744 119.3106 59.4619 29.6386 179.2058 59 Q 3.9866 8.3789 118.4063 59.2592 28.8065 179.6659 60 V 3.6845 8.2458 113.9082 64.5810 31.3691 178.8216 61 T 3.8985 7.7119 108.7522 64.6595 68.5676 176.1100 62 Q 4.2055 7.9429 122.5902 58.7395 29.2018 178.0634 63 K 4.1369 8.6327 121.8179 56.4893 32.2841 179.9400 64 L 4.2880 7.7579 118.2756 56.0155 42.9970 176.1488 65 S 4.4429 7.8285 115.4139 56.8152 62.4411 172.0352 66 P 4.6400 0.0000 0.0000 63.5081 32.0286 176.3763 67 E 4.5569 7.8017 116.6615 56.7262 32.7991 175.2711 68 K 4.2128 7.6344 117.2866 53.5940 35.2475 178.3277 69 Y 4.3362 8.3024 118.1908 59.2572 38.7087 177.4977 70 V 3.4267 8.4217 128.0055 64.2386 31.5665 176.5908 71 Y 5.0790 5.8765 115.6599 56.6091 38.2459 177.3765 72 A 4.2744 7.4739 126.0418 55.0406 18.5059 179.0948 73 D 4.8168 8.0983 113.5216 53.6413 39.6438 175.7311 74 R 4.7973 7.8532 117.6026 54.6950 34.7458 174.6119 75 Q 4.4030 8.8620 120.1024 56.0137 30.0660 175.2675 76 T 5.0250 8.8533 121.4317 62.0192 71.1661 172.9011 77 Y 4.7860 8.8851 124.1399 56.2708 40.7468 174.7003 78 I 4.3204 8.4425 125.4173 59.5613 39.1380 175.1333 79 V 4.8159 8.2976 128.6096 62.6463 32.3302 174.3852 80 T 4.6093 8.7406 121.4397 61.5175 70.8645 174.1651 81 S 4.4188 8.9031 119.8916 59.4372 63.9294 174.1611 82 H 4.2199 8.0561 122.2232 56.5461 30.0134 175.7708 83 L 4.0756 7.8396 127.7250 53.4641 39.9905 176.4137 84 G 2.6278 6.7201 111.9255 44.0089 0.0000 170.2039 85 E 4.4087 7.9617 118.6806 54.3839 30.1000 176.4006 86 D 4.8147 8.6159 124.4889 54.4581 41.5247 175.5002 87 T 4.7808 8.7145 112.0531 59.1888 71.9699 174.3896 88 D 4.4020 8.7798 120.4378 55.7292 39.1100 177.4432 89 K 4.6653 7.7085 116.8657 55.9217 33.8792 175.3184 90 I 4.9000 7.8098 120.2943 59.2754 41.1510 174.4577 91 K 4.9616 8.4927 125.6555 54.7297 35.7413 174.8913 92 Y 4.6599 9.2844 123.3253 56.9643 39.2161 174.7883 93 W 4.8431 9.6784 134.9478 55.6505 32.9156 175.7207 94 K 4.7147 7.9066 125.5138 56.2243 32.8494 176.4080 95 Q 4.3953 6.0694 119.1019 54.4489 31.2657 175.5322 96 S 4.5323 8.4403 112.9280 58.1488 65.2525 172.9724 97 P 4.2005 0.0000 0.0000 65.8250 31.1365 178.9608 98 V 3.5577 7.8688 116.4624 66.2056 31.4629 177.4905 99 E 4.0059 8.4807 118.9255 59.1235 29.3517 178.5389 100 L 2.7582 7.7102 120.3663 57.7697 42.0187 179.2164 101 V 3.3403 7.5205 118.1063 65.7833 31.1993 178.1339 102 K 3.9530 7.7932 117.3613 59.3479 32.2336 179.3304 103 R 4.0131 7.7790 118.1724 59.3037 30.0043 178.9180 104 I 3.7352 7.6038 119.7863 64.7673 36.8974 178.5323 105 Q 4.1494 7.8333 117.0159 58.3295 28.5131 178.0342 106 K 4.3545 7.5756 116.9351 55.7199 32.3726 176.0181 107 E 4.6982 7.5985 119.2396 53.8302 32.3655 175.4256 108 K 4.1376 8.5028 121.7669 54.9667 32.9636 177.0882 109 G 3.9171 7.7182 112.0055 46.2075 0.0000 170.3406 110 K 4.5445 8.1387 120.8524 55.6414 33.8493 175.8020 111 D 4.8479 8.0394 121.0955 54.9690 42.8735 175.7039 112 V 4.7933 8.7007 119.3902 61.0496 34.7041 173.8056 113 W 5.2894 9.1119 135.0000 56.3419 32.2022 175.0562 114 I 4.3318 8.8151 129.6523 60.5679 36.2844 176.2260 115 V 3.0370 8.3834 128.3774 63.9736 31.5022 176.5538 116 G 4.2379 7.2287 105.2443 44.1639 0.0000 172.1337 117 G 4.0602 7.6945 107.3478 44.1397 0.0000 174.3880 118 A 4.0061 8.5884 120.7597 55.3019 18.2347 180.0283 119 K 4.0045 7.9910 115.4255 58.9435 32.1540 178.9992 120 I 4.0625 7.6099 119.9251 63.8706 37.4880 178.1025 121 I 3.7621 7.7492 120.5674 64.4071 37.0424 178.1017 122 D 4.5144 8.4266 120.3337 57.0196 40.7450 177.2299 123 P 4.3233 0.0000 0.0000 65.9266 31.1620 178.4201 124 L 4.0342 7.5738 118.7352 57.3984 41.4852 179.6150 125 V 3.6730 7.9644 118.4090 66.0104 31.3213 177.6411 126 Q 3.9981 8.0497 117.9062 59.3120 28.9800 177.8672 127 A 4.1815 7.9824 118.0826 51.7495 18.7432 176.3834 128 N 4.2244 8.3755 115.2263 54.8267 37.7789 174.5127 129 L 4.4981 8.0504 115.3679 54.3363 42.8028 177.0613 130 I 3.9552 7.5332 120.6639 60.9110 37.9237 175.3681 131 D 4.6578 8.9806 126.0888 56.8386 42.1969 176.8279 132 T 5.2741 7.6923 113.9694 61.9136 72.7646 172.5356 133 Y 5.0408 9.5112 124.1749 56.4777 40.7987 174.8441 134 I 4.8987 9.5940 126.5828 59.7956 39.3919 174.1897 135 L 5.1414 9.2091 128.2106 53.0951 44.5347 175.8198 136 T 4.5710 8.4894 121.1068 62.0612 70.7481 173.4520 137 T 4.6342 8.7340 124.5829 62.0739 70.3987 174.2020 138 V 4.4468 8.1390 126.2774 60.4016 33.1689 174.8085 139 P 4.6261 0.0000 0.0000 61.0330 28.9770 174.9443 140 I 4.3043 7.0496 122.7035 60.6067 41.4375 173.0087 141 F 4.9555 8.7430 126.7134 56.5129 39.7048 175.5095 142 L 4.0417 9.7858 129.5463 55.8365 42.1778 178.7131 143 G 4.0394 10.0172 106.5531 45.1011 0.0000 172.5392 144 S 4.2576 5.8100 110.4680 58.1988 66.2596 174.5106 145 G 3.5935 8.0779 104.8766 44.3714 0.0000 172.8584 146 I 4.3648 8.6052 123.6388 60.2808 38.5419 175.1289 147 R 4.7806 8.6622 127.9557 54.8657 31.3192 175.2429 148 L 4.1418 8.3011 127.9227 54.0076 43.6078 175.6900 149 F 4.0330 8.1935 120.4071 58.4466 37.2287 176.8599 150 D 4.4685 8.3693 120.0577 56.9786 41.2732 177.2240 151 R 4.6454 7.3132 118.8306 55.6066 31.2621 173.8440 152 L 4.0700 8.2425 123.7413 55.2930 42.2322 178.3186 153 E 3.8182 8.4356 115.2226 56.6733 27.0392 173.3839 154 E 4.6920 7.5502 116.8419 54.5049 32.9136 174.6789 155 Q 4.1562 8.5050 123.6164 55.5728 29.4408 176.4303 156 V 4.2197 7.8496 121.9187 59.8145 32.0246 172.3807 157 P 4.4082 0.0000 0.0000 62.3942 32.0792 175.5949 158 V 4.6060 8.0518 115.2438 59.7878 36.4334 174.5464 159 R 4.7198 9.0008 120.0742 54.3342 33.1621 175.2967 160 L 4.1678 8.6740 126.1703 55.1182 41.9959 176.3100 161 I 4.1056 8.4646 128.3048 63.8594 38.1919 175.6347 162 D 4.6417 7.6443 118.2002 53.8660 44.4478 175.0022 163 V 5.1720 8.3112 121.1827 60.8884 34.3902 172.7574 164 Y 4.9686 8.4998 120.5367 56.4779 41.8307 172.6934 165 Q 5.3554 8.9271 117.5599 54.4602 31.3245 175.3160 166 K 4.6255 8.9380 121.1190 56.0067 35.9111 176.2818 167 N 4.8108 9.6528 120.1947 53.4696 36.1328 175.3888 168 E 3.9629 8.5433 113.5443 56.7692 27.8682 174.5663 169 L 4.4532 7.9232 120.3725 54.3156 43.3804 175.9386 170 V 4.4875 8.3987 123.7807 61.8926 33.3608 174.1234 171 Y 4.6817 9.1189 126.9194 56.7245 39.3497 174.7105 172 S 4.9242 9.0721 121.9651 56.5818 65.7185 173.4861 173 I 5.0454 8.3043 125.6013 59.9627 39.3919 174.3240 174 Y 5.2179 9.2105 125.0480 56.1612 41.4684 174.7549 175 Q 5.2734 9.2646 122.4827 53.8507 32.8474 174.5884 176 R 4.2399 8.7838 125.0316 56.6739 30.7337 176.7034 177 G 3.7917 8.7203 113.4839 45.9854 0.0000 173.0939 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 A 8.26 4.17 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 3 R 8.25 4.18 0.00 1.75 1.96 0.00 3.38 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 4 K 9.13 4.41 0.00 1.90 1.70 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.37 7.81 5 V 9.09 4.67 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 0.92 0.00 0.00 0.88 0.00 0.00 6 I 9.24 4.99 1.89 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 1.09 0.62 0.90 0.00 0.00 7 L 8.79 5.14 0.00 1.72 1.46 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.32 5.66 0.00 2.79 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.02 4.61 1.99 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 1.26 1.09 0.98 0.00 0.00 10 A 8.54 5.58 1.09 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 0.00 0.00 *12 S 8.22 4.19 0.00 4.34 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 13 I 8.24 3.49 0.85 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.67 0.00 0.00 14 D 7.98 4.70 0.00 2.86 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 15 N 8.28 4.28 0.00 2.89 2.90 0.00 0.00 6.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.77 5.02 0.00 3.06 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.67 4.25 1.86 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 1.33 0.62 0.85 0.00 0.00 18 A 7.41 4.55 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 19 D 8.75 5.08 0.00 2.91 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 20 D 8.76 4.39 0.00 2.66 2.81 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 21 Q 8.52 4.11 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.76 2.47 0.00 22 G 8.56 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.96 4.23 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 24 V 8.13 4.52 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 0.94 0.00 0.00 0.94 0.00 0.00 25 D 7.83 4.49 0.00 2.45 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 26 W 7.88 4.31 0.00 3.31 3.27 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 27 L 7.94 4.20 0.00 1.88 1.71 0.95 1.02 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 28 E 8.15 3.93 0.00 2.09 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 2.29 2.40 0.00 29 K 8.18 3.94 0.00 1.55 2.13 0.00 1.66 0.00 0.00 1.59 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.65 7.81 30 N 7.76 4.83 0.00 2.93 2.83 0.00 0.00 6.95 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 31 V 7.19 3.82 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 0.78 0.00 0.00 0.95 0.00 0.00 32 H 9.83 4.67 0.00 3.20 3.20 0.00 5.66 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 33 G 7.68 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.93 4.63 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 35 E 8.59 4.26 0.00 2.18 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 2.36 2.27 0.00 36 S 8.32 4.46 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.39 4.83 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.37 4.86 0.00 2.84 2.81 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 39 S 8.31 4.06 0.00 4.29 4.24 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 40 Y 7.92 3.45 0.00 3.01 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 41 E 8.11 3.94 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.94 0.00 42 K 7.88 3.75 0.00 2.00 1.81 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.37 7.81 *44 Y 7.80 3.95 0.00 2.39 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 45 S 7.77 4.14 0.00 3.99 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 46 K 7.43 4.17 0.00 1.53 1.95 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.43 7.81 47 I 6.79 4.74 1.86 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 0.95 0.17 0.80 0.00 0.00 48 D 8.74 4.91 0.00 2.77 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 49 T 7.62 5.20 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 1.48 0.00 0.00 50 V 9.02 4.87 1.72 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 60 V 8.25 3.68 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 1.00 0.00 0.00 1.20 0.00 0.00 61 T 7.71 3.90 3.97 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 0.21 0.00 0.00 62 Q 7.94 4.21 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.06 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 63 K 8.63 4.14 0.00 1.72 1.72 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.24 7.81 64 L 7.76 4.29 0.00 1.57 1.68 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.83 4.44 0.00 4.12 3.91 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 66 P 0.00 4.64 0.00 2.14 2.13 0.00 3.67 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 1.90 1.93 0.00 67 E 7.80 4.56 0.00 1.90 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 2.19 2.22 0.00 68 K 7.63 4.21 0.00 1.71 1.53 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 77 Y 8.89 4.79 0.00 2.81 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 78 I 8.44 4.32 1.13 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.02 0.81 0.00 0.00 79 V 8.30 4.82 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 1.19 0.00 0.00 1.00 0.00 0.00 80 T 8.74 4.61 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 1.60 0.00 0.00 81 S 8.90 4.42 0.00 4.02 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 82 H 8.06 4.22 0.00 3.13 3.33 0.00 5.94 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 83 L 7.84 4.08 0.00 1.49 1.44 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 84 G 6.72 2.63 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 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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 94 K 7.91 4.71 0.00 1.74 1.80 0.00 1.51 0.00 0.00 1.45 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.09 1.04 7.81 95 Q 6.07 4.40 0.00 1.57 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 96 S 8.44 4.53 0.00 4.13 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 97 P 0.00 4.20 0.00 2.11 2.16 0.00 3.95 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 98 V 7.87 3.56 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 1.04 0.00 0.00 0.95 0.00 0.00 99 E 8.48 4.01 0.00 2.23 2.42 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 2.54 2.46 0.00 100 L 7.71 2.76 0.00 0.27 1.22 -0.91 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.52 3.34 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 0.89 0.00 0.00 0.83 0.00 0.00 102 K 7.79 3.95 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 103 R 7.78 4.01 0.00 1.81 1.89 0.00 3.56 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 104 I 7.60 3.74 1.76 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.22 0.79 0.00 0.00 105 Q 7.83 4.15 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 106 K 7.58 4.35 0.00 1.87 1.82 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.65 7.81 107 E 7.60 4.70 0.00 2.03 1.83 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 2.23 2.18 0.00 108 K 8.50 4.14 0.00 1.69 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.48 7.81 109 G 7.72 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.14 4.54 0.00 1.68 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.35 7.81 111 D 8.04 4.85 0.00 2.69 2.64 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 0.00 112 V 8.70 4.79 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.88 0.00 0.00 113 W 9.11 5.29 0.00 3.34 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 0.00 114 I 8.82 4.33 1.92 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 1.28 0.94 0.89 0.00 0.00 115 V 8.38 3.04 1.70 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 0.45 0.00 0.00 -0.59 0.00 0.00 116 G 7.23 4.24 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 0.00 117 G 7.69 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 0.00 118 A 8.59 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.99 4.00 0.00 1.76 1.92 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 I 7.61 4.06 1.98 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 1.65 1.16 0.90 0.00 0.00 121 I 7.75 3.76 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 1.56 0.64 1.04 0.00 0.00 122 D 8.43 4.51 0.00 2.78 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 0.00 123 P 0.00 4.32 0.00 2.29 2.34 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.12 0.00 124 L 7.57 4.03 0.00 1.78 1.76 0.89 0.75 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 0.00 125 V 7.96 3.67 2.36 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 1.01 0.00 0.00 1.28 0.00 0.00 126 Q 8.05 4.00 0.00 2.13 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 127 A 7.98 4.18 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 0.00 128 N 8.38 4.22 0.00 2.81 2.90 0.00 0.00 7.04 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 0.00 129 L 8.05 4.50 0.00 1.78 1.65 0.90 0.85 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 0.00 130 I 7.53 3.96 1.32 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 1.36 0.52 0.11 0.00 0.00 131 D 8.98 4.66 0.00 2.70 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 0.00 132 T 7.69 5.27 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 1.29 0.00 0.00 133 Y 9.51 5.04 0.00 3.14 3.08 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 0.00 134 I 9.59 4.90 2.40 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 1.41 1.46 1.33 0.00 0.00 135 L 9.21 5.14 0.00 1.69 1.67 1.05 0.79 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 0.00 136 T 8.49 4.57 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 137 T 8.73 4.63 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 138 V 8.14 4.45 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 0.86 0.00 0.00 139 P 0.00 4.63 0.00 2.14 2.07 0.00 3.96 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 2.21 2.04 0.00 140 I 7.05 4.30 1.91 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 1.48 1.25 0.99 0.00 0.00 141 F 8.74 4.96 0.00 3.09 3.17 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 0.00 142 L 9.79 4.04 0.00 1.80 1.62 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 143 G 10.02 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 0.00 144 S 5.81 4.26 0.00 3.87 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 0.00 145 G 8.08 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.61 4.36 1.93 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 1.15 0.69 0.93 0.00 0.00 147 R 8.66 4.78 0.00 1.55 1.76 0.00 3.09 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 148 L 8.30 4.14 0.00 1.35 0.93 0.63 0.22 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 0.00 149 F 8.19 4.03 0.00 3.23 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 0.00 150 D 8.37 4.47 0.00 2.61 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 0.00 151 R 7.31 4.65 0.00 1.78 1.79 0.00 3.30 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 152 L 8.24 4.07 0.00 1.76 1.73 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.44 3.82 0.00 2.13 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 0.00 2.22 2.45 0.00 154 E 7.55 4.69 0.00 1.98 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 2.22 2.31 0.00 155 Q 8.51 4.16 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 156 V 7.85 4.22 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 0.97 0.00 0.00 157 P 0.00 4.41 0.00 1.94 1.93 0.00 3.64 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 2.00 2.08 0.00 158 V 8.05 4.61 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 0.31 0.00 0.00 0.37 0.00 0.00 159 R 9.00 4.72 0.00 1.71 1.83 0.00 3.30 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 160 L 8.67 4.17 0.00 1.62 1.55 0.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.46 4.11 2.01 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 1.15 0.99 0.93 0.00 0.00 162 D 7.64 4.64 0.00 2.77 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 0.00 163 V 8.31 5.17 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 0.74 0.00 0.00 0.93 0.00 0.00 164 Y 8.50 4.97 0.00 3.10 3.07 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 0.00 165 Q 8.93 5.36 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 166 K 8.94 4.63 0.00 2.01 1.83 0.00 2.07 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.71 7.81 167 N 9.65 4.81 0.00 2.98 2.93 0.00 0.00 7.65 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 0.00 168 E 8.54 3.96 0.00 2.22 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 2.24 2.37 0.00 169 L 7.92 4.45 0.00 2.02 1.37 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.40 4.49 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 0.81 0.00 0.00 0.91 0.00 0.00 171 Y 9.12 4.68 0.00 1.71 2.43 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 0.00 172 S 9.07 4.92 0.00 3.80 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.30 5.05 1.88 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 1.03 0.00 0.00 174 Y 9.21 5.22 0.00 2.83 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 0.00 175 Q 9.26 5.27 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 176 R 8.78 4.24 0.00 2.16 1.92 0.00 3.48 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 177 G 8.72 3.79 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.