NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 5.4113 8.3481 122.9777 52.4098 20.2669 178.1395 *2 S 4.4308 7.7998 117.6123 58.8129 65.7151 176.5607 3 V 3.5924 8.0486 120.4155 66.1682 31.2846 178.2097 4 T 3.9155 7.5413 108.7785 64.3068 68.5648 176.5608 5 K 3.8870 7.9815 122.1905 59.5430 32.1020 178.4316 6 Q 3.9319 7.9266 118.4464 59.0417 29.0117 177.6874 7 L 4.1884 7.9267 119.4374 57.7819 41.9406 179.2140 8 L 4.1536 8.0484 118.9164 57.5875 41.5155 179.5552 9 Q 3.6784 8.0253 117.0227 57.1142 29.2397 177.8541 *11 Q 4.1953 8.0511 120.4032 55.6343 30.9824 177.1095 12 A 4.1742 7.9798 119.5153 55.2734 18.2716 179.4006 13 D 4.3707 8.4764 117.3760 57.2138 40.8963 178.7228 14 A 4.0387 8.0860 120.9429 55.4385 18.4952 178.8363 15 H 3.8004 8.4756 116.6879 59.6728 29.8412 176.7838 16 H 4.1157 8.3221 119.8278 59.4850 29.7135 177.2624 17 L 3.4221 8.2261 121.0128 56.8625 41.1710 179.2720 18 W 3.9337 8.0630 128.6336 60.2940 30.5453 178.1917 19 V 3.0968 7.8224 118.0604 65.7656 31.1227 177.7599 20 K 3.5425 7.8580 119.6510 59.5696 31.9353 178.7400 21 F 4.0311 8.0676 118.1355 60.5423 38.6423 177.3153 22 H 3.1236 7.2799 115.7809 58.2466 27.7347 176.9906 23 N 4.3131 7.1235 118.3543 57.1375 38.2199 176.4156 24 Y 4.0813 7.2084 117.5284 61.3527 37.6701 178.1281 25 H 4.3231 7.7144 119.3786 58.4373 29.9750 176.8650 26 W 4.9257 8.2088 119.6960 58.5389 29.5948 176.7948 27 N 5.3536 8.3390 113.6324 52.8527 39.6491 175.4190 28 V 4.5807 7.9632 118.6857 61.8506 32.4061 175.8889 29 K 4.6980 9.6748 121.8429 55.3503 36.0655 175.4998 30 G 3.9802 9.0593 108.6010 43.1978 0.0000 174.1305 31 L 3.9780 8.4467 120.9935 58.0210 42.2597 177.4501 32 Q 4.5285 8.0151 116.1192 55.9947 29.0679 176.9716 33 F 4.0834 8.5777 122.7299 61.8144 39.1157 177.1622 34 F 3.9068 8.3559 119.5124 61.2561 39.2787 177.1241 35 S 3.9299 8.0196 113.4205 61.3032 62.7833 176.3968 36 I 3.5814 7.6142 123.5829 64.1530 36.8885 177.6471 37 H 3.7974 7.9016 119.4095 59.3033 29.6063 177.1831 38 E 3.6616 7.7579 120.3890 59.3105 29.2291 178.6515 39 Y 3.8310 8.1023 120.1865 60.9100 38.7407 178.2816 40 T 3.7672 8.1844 110.4784 63.8363 69.0766 176.4927 41 E 2.5400 7.4173 122.3295 58.5855 29.6492 178.4502 42 K 3.6399 7.4614 119.3538 59.3369 31.9386 178.5570 43 A 4.1569 7.2117 120.1502 55.3430 18.3778 178.9905 44 Y 4.4768 7.8674 115.4927 60.1754 38.2718 177.9752 45 E 4.4336 7.9549 120.4843 59.2005 29.4947 180.0818 46 E 4.2070 8.2764 117.3808 56.4613 29.5383 178.9918 *48 A 4.2074 8.0079 123.5831 52.4034 20.8072 179.8449 49 E 4.0714 8.4850 115.3651 59.4839 29.4140 179.3560 50 L 4.1756 8.5783 120.8588 58.0257 42.2017 178.4572 51 F 4.1606 8.4724 120.2403 61.6539 39.1483 176.5044 52 D 4.1656 8.2970 117.2695 57.4124 40.9850 178.3271 53 S 3.9851 8.3140 115.7715 61.6718 62.8407 176.4962 54 C 3.9988 8.2720 119.1311 62.6836 27.9354 175.7453 55 A 3.8136 7.5237 122.1630 55.5406 17.8469 179.7011 56 E 3.8887 8.3337 117.0329 59.2192 29.4214 179.6416 57 R 3.7331 8.0363 119.2583 59.1566 30.1224 178.5333 58 V 3.5331 7.7178 118.0821 66.1017 31.4857 178.0410 59 L 4.3056 7.7506 119.8044 57.5014 41.2522 179.4440 60 Q 4.0385 8.0340 116.9748 58.7316 28.6839 178.1166 61 L 4.4181 7.5588 117.2455 54.5435 41.7789 177.5926 62 G 3.8461 8.0008 107.2161 45.4602 0.0000 172.9701 63 E 4.6325 8.0126 119.2861 54.1461 32.2891 174.5947 64 K 4.3807 8.1775 118.6198 54.7810 33.3975 177.0252 65 A 4.1877 8.2098 126.2346 51.6278 19.1759 176.6908 66 I 4.0693 8.2286 121.2772 61.2983 37.6169 176.6962 67 T 4.4876 8.4327 112.6596 61.0835 70.1346 172.9304 68 C 4.6472 7.7458 123.6251 57.5522 33.1243 173.6504 69 Q 3.9239 9.0202 126.6030 59.2301 28.6323 178.5099 70 K 4.0680 8.0986 117.0589 59.4610 32.7698 177.8846 71 V 3.7253 7.9185 118.1475 66.0738 31.5943 178.1216 72 L 3.8370 8.0623 115.8586 55.9542 40.9726 178.6136 *74 E 4.2541 8.1088 120.1682 56.1644 31.2018 176.6429 75 N 4.5750 7.9956 114.0642 53.8707 39.3799 175.5934 76 A 4.2317 7.4157 121.5047 52.7921 18.6568 177.2699 77 K 4.5375 9.6004 119.5968 55.5019 34.2602 177.0046 78 S 2.7900 7.6648 113.5643 56.3235 63.6792 172.1747 79 P 4.1967 0.0000 0.0000 63.0059 31.5264 176.4101 80 K 4.4811 8.4074 121.6853 55.5457 33.2909 176.6001 81 V 4.5254 8.2148 114.7606 59.7514 34.4451 175.6492 82 A 4.4885 8.5728 124.8668 52.5482 19.8371 177.6423 83 K 4.3604 7.8994 114.9649 56.0213 33.0291 176.2509 84 D 5.0016 7.8830 116.6114 52.0523 40.1077 174.4778 85 C 4.8096 6.8630 118.2942 59.0078 34.5497 172.9040 86 F 5.3051 8.9722 123.6130 55.9886 43.5313 174.4384 87 T 4.7069 9.1876 112.5322 60.7517 70.3597 174.0382 88 P 4.1919 0.0000 0.0000 65.9855 31.3672 179.0226 89 L 3.9523 7.8612 117.0214 57.6657 41.4202 179.3131 90 E 3.9283 8.3052 118.7077 59.2979 29.3736 179.4839 91 V 2.8020 7.6936 118.1569 65.8625 31.5575 178.1400 92 I 3.4193 7.4889 119.4572 64.1911 36.9297 178.0731 93 E 3.8656 8.1337 120.1801 59.1351 29.3655 178.9004 94 L 3.9430 7.8794 119.2448 57.8183 41.6316 179.5202 95 I 3.4872 7.7006 120.1757 63.9004 36.8096 178.2334 96 K 3.8343 7.8923 120.5121 59.7127 32.0125 178.5518 97 Q 4.0230 7.8951 119.1251 59.3795 28.9803 177.9984 98 D 4.5279 8.4130 120.1684 57.6931 40.8616 178.4016 99 Y 4.4216 8.8694 117.6953 61.0463 37.9011 178.0775 100 E 4.0946 8.7954 120.0859 59.5021 29.5844 178.7661 101 Y 3.9860 8.1958 119.4865 60.6805 38.9258 177.9066 102 L 3.7129 8.1285 119.8754 57.7438 41.7194 179.2843 103 L 4.0967 8.3205 120.2127 58.2764 42.0534 178.9269 104 A 3.9732 7.9975 120.5963 55.2153 18.2361 179.5236 105 E 3.7297 7.9266 117.0979 59.3948 29.3958 179.5758 106 F 4.2196 8.4001 118.3291 60.4251 38.9048 177.9068 107 K 4.0432 8.1894 118.3603 59.0252 31.8227 179.2692 108 K 3.8957 8.0870 120.1521 59.3941 32.0904 178.5716 109 L 3.9695 8.1057 120.6858 58.0925 41.9856 178.3693 110 N 4.3156 8.3904 117.0513 56.8104 38.9121 176.6282 111 E 3.9525 8.2596 119.6450 59.4398 29.0636 179.2508 112 A 4.0019 8.1304 120.5328 55.0485 18.3714 179.5127 113 A 3.9908 8.5165 119.7710 55.1715 18.4718 179.2966 114 E 3.8738 8.6001 118.2461 59.6451 29.5194 179.4013 115 K 4.1214 8.0262 116.5528 58.4439 32.3344 178.1055 116 E 4.4603 7.7222 116.1878 54.9284 29.7951 176.1211 117 S 3.8457 7.7907 114.0453 59.7268 61.1529 173.2429 118 D 4.6629 8.2157 121.8521 53.2355 40.1998 175.4019 119 T 3.9692 8.1294 117.6593 64.5324 69.0889 176.6501 120 T 3.8683 7.8867 118.1075 66.9824 68.5722 176.7561 121 T 4.0849 8.4041 117.3558 66.3787 68.3855 176.8148 122 A 4.0108 8.2118 122.7783 55.0128 18.4404 179.4837 123 A 3.9383 8.3591 119.6631 55.2340 18.3409 179.5078 124 F 4.1830 8.4166 118.9058 61.4779 39.3706 177.0253 125 A 3.7637 8.3403 120.5504 55.4875 18.2218 179.7139 126 Q 3.8730 8.1803 116.3101 58.7974 28.7555 178.6225 127 E 3.8865 8.1534 119.8536 59.4512 29.3895 179.1547 128 N 3.9391 7.4248 116.4674 55.8499 38.2877 177.4511 129 I 3.6584 7.6614 121.3656 64.3623 37.2086 178.2713 130 A 3.8976 7.8861 121.3405 54.9094 18.2399 179.3432 131 K 3.5477 7.6554 118.1183 60.1031 32.1199 178.5164 132 Y 4.0552 7.8643 116.5147 60.5687 37.9468 177.8851 133 E 4.1190 8.4826 120.0971 59.0102 29.2846 179.2392 134 K 4.1090 7.8870 119.0205 59.6956 32.4305 178.7487 135 S 4.3956 7.9436 114.0212 61.8101 63.0513 176.4707 136 L 4.3475 8.6156 122.0076 57.3632 41.2525 179.4056 137 W 4.5658 8.0604 124.0163 58.7273 30.2364 177.2873 *139 I 3.9376 7.7563 120.2122 60.9836 38.6327 178.2147 140 G 3.5612 8.2761 109.1018 48.3906 0.0000 175.6305 141 A 3.9393 7.5985 122.4355 55.0758 18.5394 178.9740 142 T 3.8998 7.5300 111.6761 66.3794 68.6326 175.5567 143 L 4.1777 7.3430 119.4247 56.1913 42.1381 177.3064 144 Q 4.2677 7.5810 117.4037 55.2494 29.4925 175.4756 145 G 4.0524 8.1668 108.2384 43.7624 0.0000 173.6452 146 A 4.2531 8.1610 123.3254 51.3260 19.3776 177.7401 147 C 4.3093 8.5870 116.9207 60.2489 28.1385 174.0504 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 0 A 8.35 5.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 S 7.80 4.43 0.00 4.04 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 0.00 3 V 8.05 3.59 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 1.07 0.00 0.00 1.06 0.00 0.00 4 T 7.54 3.92 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 5 K 7.98 3.89 0.00 1.84 1.97 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.49 7.81 6 Q 7.93 3.93 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 7 L 7.93 4.19 0.00 1.79 1.72 0.91 1.00 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 8 L 8.05 4.15 0.00 1.88 1.69 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.03 3.68 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.39 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 *11 Q 8.05 4.20 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 12 A 7.98 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.48 4.37 0.00 2.80 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 14 A 8.09 4.04 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 15 H 8.48 3.80 0.00 3.14 3.56 0.00 5.60 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 16 H 8.32 4.12 0.00 3.35 3.42 0.00 5.66 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 17 L 8.23 3.42 0.00 1.37 0.54 0.95 0.49 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 18 W 8.06 3.93 0.00 3.32 3.15 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 0.00 19 V 7.82 3.10 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 0.85 0.00 0.00 1.01 0.00 0.00 20 K 7.86 3.54 0.00 1.60 1.32 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.06 1.26 7.81 21 F 8.07 4.03 0.00 2.81 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 22 H 7.28 3.12 0.00 2.23 1.31 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.12 4.31 0.00 2.72 2.82 0.00 0.00 7.25 8.87 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 24 Y 7.21 4.08 0.00 2.96 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 7.71 4.32 0.00 3.03 3.07 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.21 4.93 0.00 3.59 3.15 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 0.00 27 N 8.34 5.35 0.00 3.34 3.10 0.00 0.00 6.73 7.03 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 28 V 7.96 4.58 2.32 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 0.82 0.00 0.00 1.03 0.00 0.00 29 K 9.67 4.70 0.00 1.64 1.73 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.63 1.54 7.81 30 G 9.06 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.45 3.98 0.00 1.62 1.74 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.02 4.53 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 33 F 8.58 4.08 0.00 3.32 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.36 3.91 0.00 3.31 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 35 S 8.02 3.93 0.00 4.01 4.09 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 36 I 7.61 3.58 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.79 0.00 0.00 37 H 7.90 3.80 0.00 2.27 2.80 0.00 5.78 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 38 E 7.76 3.66 0.00 1.68 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 1.47 1.96 0.00 39 Y 8.10 3.83 0.00 2.98 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 40 T 8.18 3.77 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 41 E 7.42 2.54 0.00 1.90 1.76 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 1.83 1.76 0.00 42 K 7.46 3.64 0.00 1.65 1.59 0.00 1.57 0.00 0.00 1.47 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.33 7.81 43 A 7.21 4.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.87 4.48 0.00 2.64 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.95 4.43 0.00 2.18 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 2.47 2.36 0.00 46 E 8.28 4.21 0.00 2.31 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 0.00 2.35 2.50 0.00 *48 A 8.01 4.21 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 49 E 8.49 4.07 0.00 2.31 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 0.00 2.41 2.63 0.00 50 L 8.58 4.18 0.00 2.07 1.88 1.43 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.47 4.16 0.00 3.09 3.25 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 52 D 8.30 4.17 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.31 3.99 0.00 4.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.27 4.00 0.00 2.92 3.14 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 55 A 7.52 3.81 1.06 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 56 E 8.33 3.89 0.00 1.95 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 0.00 2.25 2.36 0.00 57 R 8.04 3.73 0.00 1.72 1.88 0.00 3.21 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 58 V 7.72 3.53 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 0.98 0.00 0.00 0.90 0.00 0.00 59 L 7.75 4.31 0.00 1.85 1.65 0.86 0.77 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 60 Q 8.03 4.04 0.00 2.13 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 2.35 2.47 0.00 61 L 7.56 4.42 0.00 1.74 1.67 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.00 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 0.00 0.00 0.00 0.00 63 E 8.01 4.63 0.00 1.97 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 2.20 2.36 0.00 64 K 8.18 4.38 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 65 A 8.21 4.19 1.11 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 0.00 0.00 66 I 8.23 4.07 1.94 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 1.34 0.55 0.94 0.00 0.00 67 T 8.43 4.49 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 1.18 0.00 0.00 68 C 7.75 4.65 0.00 2.95 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 69 Q 9.02 3.92 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 70 K 8.10 4.07 0.00 1.71 1.83 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.43 7.81 71 V 7.92 3.73 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 0.94 0.00 0.00 0.93 0.00 0.00 72 L 8.06 3.84 0.00 1.87 1.63 0.77 0.91 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 *74 E 8.11 4.25 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.45 0.00 75 N 8.00 4.57 0.00 2.81 2.87 0.00 0.00 6.96 7.37 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 76 A 7.42 4.23 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 77 K 9.60 4.54 0.00 1.79 1.87 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.54 7.81 78 S 7.66 2.79 0.00 3.50 3.32 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 79 P 0.00 4.20 0.00 2.06 2.04 0.00 3.58 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 80 K 8.41 4.48 0.00 1.76 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.39 7.81 81 V 8.21 4.53 2.33 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 0.90 0.00 0.00 1.13 0.00 0.00 82 A 8.57 4.49 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 83 K 7.90 4.36 0.00 1.44 1.34 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.45 7.81 84 D 7.88 5.00 0.00 2.79 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 85 C 6.86 4.81 0.00 2.85 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 86 F 8.97 5.31 0.00 3.02 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 87 T 9.19 4.71 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 1.23 0.00 0.00 88 P 0.00 4.19 0.00 2.14 2.10 0.00 3.62 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 89 L 7.86 3.95 0.00 1.65 1.67 0.89 0.88 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 90 E 8.31 3.93 0.00 2.35 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 2.37 2.34 0.00 91 V 7.69 2.80 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 0.55 0.00 0.00 0.64 0.00 0.00 92 I 7.49 3.42 1.81 0.00 0.00 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 1.06 0.56 0.70 0.00 0.00 93 E 8.13 3.87 0.00 2.05 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 2.27 2.31 0.00 94 L 7.88 3.94 0.00 1.20 1.55 0.83 1.01 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 95 I 7.70 3.49 1.64 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.04 0.00 0.00 96 K 7.89 3.83 0.00 1.86 1.98 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 97 Q 7.90 4.02 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 98 D 8.41 4.53 0.00 3.10 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 99 Y 8.87 4.42 0.00 3.15 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 0.00 100 E 8.80 4.09 0.00 2.30 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 0.00 2.42 2.53 0.00 101 Y 8.20 3.99 0.00 3.15 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.13 3.71 0.00 1.64 1.43 0.80 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.32 4.10 0.00 1.89 1.94 1.02 1.20 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 0.00 104 A 8.00 3.97 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 0.00 105 E 7.93 3.73 0.00 1.63 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 106 F 8.40 4.22 0.00 3.10 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 0.00 107 K 8.19 4.04 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 108 K 8.09 3.90 0.00 1.88 1.95 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.42 7.81 109 L 8.11 3.97 0.00 1.81 1.92 1.00 0.69 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 0.00 110 N 8.39 4.32 0.00 2.94 2.99 0.00 0.00 7.25 7.17 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 0.00 111 E 8.26 3.95 0.00 2.20 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 2.51 2.48 0.00 112 A 8.13 4.00 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 0.00 113 A 8.52 3.99 1.49 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 0.00 0.00 114 E 8.60 3.87 0.00 2.07 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 0.00 2.31 2.37 0.00 115 K 8.03 4.12 0.00 1.91 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.70 7.81 116 E 7.72 4.46 0.00 2.04 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 2.25 2.49 0.00 117 S 7.79 3.85 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.22 4.66 0.00 2.68 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 0.00 119 T 8.13 3.97 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 0.00 120 T 7.89 3.87 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 1.20 0.00 0.00 121 T 8.40 4.08 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 0.00 122 A 8.21 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.36 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.42 4.18 0.00 3.07 3.36 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 0.00 125 A 8.34 3.76 1.45 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 0.00 126 Q 8.18 3.87 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 127 E 8.15 3.89 0.00 1.91 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 2.28 2.37 0.00 128 N 7.42 3.94 0.00 1.44 1.42 0.00 0.00 7.02 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 7.66 3.66 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.68 0.91 0.00 0.00 130 A 7.89 3.90 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 0.00 131 K 7.66 3.55 0.00 1.55 1.61 0.00 1.31 0.00 0.00 1.11 0.00 0.00 2.77 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.99 7.81 132 Y 7.86 4.06 0.00 3.08 3.01 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 0.00 133 E 8.48 4.12 0.00 2.03 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 2.39 2.51 0.00 134 K 7.89 4.11 0.00 1.80 1.98 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.71 7.81 135 S 7.94 4.40 0.00 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.62 4.35 0.00 1.93 1.87 1.13 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 137 W 8.06 4.57 0.00 3.43 3.46 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 0.00 0.00 0.00 0.00 *139 I 7.76 3.94 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.93 0.83 0.00 0.00 140 G 8.28 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 3.90 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 1.04 0.00 0.00 143 L 7.34 4.18 0.00 1.70 1.67 0.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 144 Q 7.58 4.27 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 145 G 8.17 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 0.00 146 A 8.16 4.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.59 4.31 0.00 2.98 2.87 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 * Residues marked with a * may have inaccurate shift predictions.