NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5615 8.1633 120.2688 55.3074 33.5860 173.7542 2 N 5.5584 8.8673 120.7281 51.0146 41.4071 172.1702 3 I 4.8680 9.9871 123.8129 59.4395 42.6057 173.3344 4 I 5.0000 8.1610 128.5689 59.3926 40.2063 174.3583 5 L 4.9754 8.8055 128.1985 53.1437 44.7330 174.9204 6 K 4.6275 9.1940 129.4416 55.6097 33.8272 175.2433 7 I 4.6778 8.7094 129.2640 59.2783 39.0649 175.1524 8 S 4.3890 8.9926 122.9594 58.6806 63.0080 175.8839 9 G 3.9487 9.0608 114.1446 48.5575 0.0000 175.8076 10 K 4.2922 8.0951 120.9555 58.8070 31.6882 178.8290 11 F 3.2125 7.7127 119.8491 60.8143 38.8689 176.5989 12 F 4.3615 8.2671 116.6998 59.4990 38.5628 177.7336 13 D 4.4671 7.7922 117.5387 57.3312 40.3494 178.4593 14 E 3.9582 8.0806 117.6521 56.8346 30.2479 176.0159 15 D 4.3355 7.6552 116.7311 54.8953 40.0617 173.2060 16 N 4.9134 7.3396 115.8771 51.0492 42.3095 174.9782 17 V 3.7392 8.3913 118.4239 63.6601 31.5719 178.1931 18 D 4.3197 8.0990 119.1513 57.2403 40.5746 178.1001 19 N 4.1268 7.6116 117.0154 56.4346 38.4764 177.3726 20 L 4.1953 7.7065 119.5484 57.9023 41.6629 179.4983 21 I 3.7670 8.1116 120.2873 64.3697 37.0453 178.9221 22 V 3.6543 8.0913 120.2085 64.5525 31.3107 178.1539 23 L 3.9160 8.4552 121.5093 57.8257 41.8747 178.6144 24 R 3.9011 8.5083 118.9278 59.7646 29.8777 177.9718 25 Q 3.9869 8.2970 117.7883 59.3258 28.8239 178.9984 26 S 4.0963 8.6472 114.0108 61.9125 62.2586 176.5683 27 I 3.7884 7.8393 122.1000 64.1073 36.8029 178.3207 28 K 3.9671 7.9365 120.3738 59.4498 31.9114 178.3846 29 E 3.9959 8.4431 119.1618 59.6935 29.4726 179.6194 30 L 4.0948 8.0244 118.2985 57.6877 41.6470 179.2654 31 A 4.4422 8.3217 122.4172 54.9929 18.1931 179.5546 32 D 4.3818 8.4071 115.8591 56.8850 40.8097 177.6729 33 N 4.8902 7.7405 115.5763 52.8568 38.7830 175.8795 34 G 3.8385 8.2588 108.4492 45.2628 0.0000 173.6566 35 F 4.9189 8.1678 118.9143 56.4692 40.8205 175.1603 36 R 4.5148 9.1491 122.6639 55.4863 31.8363 175.5644 37 V 5.0681 8.7068 122.8896 61.1407 34.6797 174.2333 38 G 4.7998 9.2002 114.1753 44.6382 0.0000 171.9518 39 I 5.1995 9.0128 122.7263 59.1458 41.4408 174.5508 40 V 4.8137 8.7062 126.2538 61.2052 34.0972 174.0710 41 T 4.9579 8.5372 118.7467 59.9266 70.8681 174.8841 42 G 3.8312 8.9330 112.4259 45.8576 0.0000 174.5679 43 G 3.8050 8.7816 108.0563 45.3474 0.0000 175.2120 44 G 4.0000 7.9601 108.8248 46.4666 0.0000 175.0939 45 S 4.2987 9.4090 114.1525 61.2641 63.2839 176.6887 46 T 4.0666 8.0968 118.9938 66.6823 68.1879 175.8094 47 A 4.0959 7.7987 122.4522 55.4272 18.4258 179.9059 48 R 3.8991 7.8278 116.1484 59.3716 30.0090 179.2128 49 R 3.8988 8.8625 119.4459 59.7657 30.0454 178.2586 50 Y 3.8293 8.3859 116.4437 60.9822 37.8086 178.3010 51 I 3.7892 8.1665 120.9705 64.1451 37.2345 178.3886 52 K 3.9078 8.1669 120.3863 59.4433 32.2565 178.4727 53 L 3.8973 7.6398 120.3325 58.1899 41.9885 178.8288 54 A 4.0885 8.1891 120.6584 55.2010 18.3455 179.5122 55 R 3.8853 8.3814 117.5756 59.7103 29.9013 178.5957 56 E 4.1031 8.2464 117.6416 58.4115 29.4070 178.2485 57 I 4.3650 7.0742 110.1766 60.3563 37.9817 176.3123 58 G 3.9108 7.7965 107.6431 45.9222 0.0000 174.0367 59 I 3.8187 7.5190 120.8364 60.5866 37.7026 177.1720 60 G 3.9547 8.6034 111.4618 44.4502 0.0000 174.1651 61 E 4.0243 8.7885 120.5751 58.9036 29.6199 178.8172 62 A 3.8795 7.9820 120.5310 55.4866 18.4138 179.0893 63 Y 4.0784 7.8448 114.5587 60.7592 38.0540 178.1369 64 L 4.0810 8.1520 120.1483 57.9928 41.7470 179.1333 65 D 4.3787 8.1809 118.6892 57.5450 40.6851 178.9981 66 L 4.0264 7.9387 119.3195 57.7394 41.5106 179.5873 67 L 4.2844 8.4523 119.3103 57.7764 41.5826 179.7468 68 G 3.6274 8.2094 105.7425 47.7905 0.0000 175.8542 69 I 3.5767 8.0622 122.5525 63.9309 37.1291 178.5395 70 W 4.2289 8.3345 119.8806 59.6666 28.8560 178.2915 71 A 3.9760 8.3321 121.1606 55.2996 17.8162 179.8581 72 S 4.2072 7.9692 113.9340 61.1072 62.8590 177.0097 73 R 3.7928 7.9588 121.6910 58.6493 29.7832 178.5487 74 L 4.0648 8.0667 120.3410 58.4234 42.0864 178.9005 75 N 3.9423 7.8240 115.6500 55.9151 38.2332 177.3009 76 A 3.8001 7.6438 122.2911 55.1976 18.3755 179.2885 77 Y 3.3968 7.8272 115.4572 60.6558 37.8662 178.3313 78 L 3.9609 7.6885 121.2253 58.3285 41.9766 179.2895 79 V 3.6796 7.5866 116.3992 66.2610 31.9395 177.2177 80 M 4.1795 8.3301 118.2992 58.8664 32.0806 178.2641 81 F 4.7235 8.5545 118.5172 60.4278 38.8586 177.6334 82 S 4.3392 8.2334 112.9057 60.4770 63.2184 175.5091 83 L 4.3804 8.0106 121.5196 52.2274 42.2007 179.7351 84 Q 3.3034 8.3300 116.7808 57.1071 28.5460 176.5888 85 D 4.5689 9.3119 127.0752 57.7452 41.6712 177.4568 86 L 4.0668 8.1484 119.2912 56.7314 41.8578 176.7780 87 A 5.0755 7.2415 119.1843 50.0756 20.6228 175.9857 88 Y 4.2130 8.5631 123.6296 58.1902 39.6839 177.2358 89 M 4.3390 7.5858 129.3362 53.2435 30.7691 174.9805 90 H 4.6114 7.2537 116.9714 54.8983 33.4970 172.7727 91 V 4.1571 8.2902 126.5757 59.6297 31.1373 173.5934 92 P 4.6204 0.0000 0.0000 63.1442 31.8357 176.4270 93 Q 4.4308 9.4126 119.6095 56.3953 29.6776 175.2103 94 S 3.7392 7.1880 112.3078 55.0391 67.5034 174.3926 95 L 3.5449 7.0892 122.7238 58.1352 41.6139 178.4955 96 E 3.9266 7.9556 117.9303 59.7532 29.3744 179.2123 97 E 4.0034 8.1821 118.3209 59.1389 29.4006 179.0944 98 F 4.1545 8.3747 120.9136 61.4567 39.2488 177.1916 99 I 3.6385 7.6688 118.0655 64.3588 37.3176 177.9381 100 Q 4.0517 7.8308 120.3287 59.4194 28.8840 178.0609 101 D 4.1256 8.4055 120.3153 57.0001 40.7101 178.5661 102 W 4.0012 8.5459 129.1622 60.2122 30.3309 177.8874 103 S 4.1340 7.5085 113.5405 60.7920 62.2544 175.1325 104 H 4.3352 7.4494 117.2733 55.3196 28.6901 176.1103 105 G 3.6010 7.3022 108.9645 45.4160 0.0000 173.1550 106 K 4.4845 7.1204 117.9167 53.5912 35.3124 175.5293 107 V 4.3862 8.0721 119.6732 62.8778 32.6113 174.9314 108 V 4.8498 8.8369 126.5574 61.1366 34.4343 173.8550 109 V 4.9385 8.5159 127.0774 61.4735 33.9144 174.0501 110 T 4.5611 9.3392 121.8100 60.4158 71.0290 173.1841 111 G 4.1172 8.1519 115.0484 44.5329 0.0000 173.4473 112 G 3.5902 8.1587 112.1546 45.5923 0.0000 172.7530 113 F 5.1782 8.3348 115.2518 57.6530 41.1545 176.1247 114 Q 4.5280 7.7222 118.2191 53.6516 31.8604 172.1248 115 P 4.2795 0.0000 0.0000 64.2562 31.8399 176.5736 116 G 3.9395 10.3691 109.7163 45.3328 0.0000 172.6531 117 Q 4.5787 7.4017 115.9547 53.8410 31.8045 173.8445 118 S 4.7171 8.3749 113.4339 56.5799 66.6393 174.9590 119 T 3.7547 8.1529 111.1135 64.1449 68.4000 176.3140 120 A 3.8567 7.6471 123.7300 55.0386 18.2793 179.3784 121 A 3.8712 7.8061 118.8580 55.0957 18.4425 179.7473 122 V 3.1662 7.3513 116.4814 66.0438 31.4079 178.0769 123 A 3.7205 7.9441 120.2565 54.9610 18.1065 179.4913 124 A 3.8223 7.9114 119.1697 55.2706 18.4026 179.8328 125 L 3.8770 7.9952 117.7713 58.0098 41.6828 180.0464 126 V 2.9271 7.7601 118.0437 65.2896 31.2053 177.9662 127 A 3.7442 7.9880 120.9993 54.9868 18.3006 179.0631 128 E 3.7753 8.3900 117.9661 59.5978 29.5138 179.0569 129 A 4.1152 8.0911 119.6513 54.2732 18.4701 178.6480 130 S 4.2699 7.6289 110.5658 57.1943 63.7487 174.1319 131 S 3.7089 7.6765 116.5514 59.8256 60.8391 172.6519 132 S 4.7320 7.9631 114.8100 57.4590 63.6512 175.0927 133 K 4.3906 8.6428 123.3386 57.5903 33.5226 176.3382 134 T 5.0366 7.7976 116.8432 61.4333 72.4561 172.3345 135 L 4.7645 8.9807 128.5113 53.2437 44.8381 174.8945 136 V 4.5285 8.7381 127.1060 61.4615 33.5186 174.5620 137 V 4.6006 9.1209 128.9335 61.4593 32.8814 174.4474 138 A 4.9527 9.1391 132.3030 51.1095 20.3071 175.2861 139 T 5.3018 8.9831 117.9474 60.9541 71.5656 173.9460 140 N 4.3051 8.6588 119.1016 52.4008 36.6322 174.6273 141 V 4.5229 7.0858 116.8700 61.7626 34.7742 175.7466 142 D 4.4884 9.0507 124.3143 56.1618 41.3400 176.3981 143 G 4.0359 6.6401 104.6691 45.8406 0.0000 172.0785 144 V 4.0005 8.0214 119.8134 62.2598 32.3441 175.8279 145 Y 5.1113 8.1936 123.2781 55.7746 40.8560 175.6640 146 E 4.0797 8.3374 121.5396 59.2092 29.7111 177.2614 147 K 4.5329 7.7031 116.6932 54.0856 35.6840 174.1878 148 D 4.3988 8.9949 120.7199 54.2746 40.8278 175.4790 149 P 4.5614 0.0000 0.0000 63.7490 31.7473 177.1942 150 R 4.1722 7.9959 117.2978 57.1899 30.5885 176.9213 151 I 3.9200 7.6349 117.2871 61.8518 39.0590 175.1481 152 Y 4.4932 7.8145 119.0306 55.8366 39.0008 175.3087 153 A 4.2466 8.4735 127.9562 52.6919 19.6865 175.8702 154 D 4.3820 8.5375 119.5799 54.8823 37.4550 173.3953 155 V 4.5666 7.2766 118.1345 60.7572 35.3657 174.3979 156 K 4.6355 8.5738 123.7336 55.1452 33.9253 175.8428 157 L 3.3977 8.4439 126.1650 54.9811 42.9154 176.3238 158 I 4.2846 8.4804 128.1428 59.1832 37.1274 173.9131 159 P 4.5355 0.0000 0.0000 64.9095 32.6566 175.9008 160 H 5.3919 7.9617 119.8721 54.6573 32.7467 172.2883 161 L 4.7456 9.0485 125.2672 55.1612 44.7428 174.1659 162 T 5.0845 8.7570 109.2519 59.7368 71.6561 175.7114 163 T 3.9059 8.5913 112.3093 64.7309 68.5482 176.5239 164 Q 3.9522 7.9791 122.3104 58.9458 29.0956 177.3610 165 D 4.3352 7.9762 119.8619 57.3753 40.9065 178.5935 166 L 3.9125 7.9578 120.6158 58.2662 42.2438 179.0332 167 R 4.0535 8.0805 118.5063 59.1121 29.6889 178.7775 168 K 3.9886 7.6879 117.4274 59.4398 32.1998 178.4236 169 I 3.8227 7.8017 119.0018 64.1166 37.0781 177.1621 170 L 4.3116 8.2919 117.7952 54.1358 42.1526 178.2047 171 E 3.7838 7.7807 120.9608 57.7345 29.2087 173.7398 *182 E 3.9687 7.7183 116.0042 56.4590 29.8944 172.1912 183 L 3.8284 8.0236 118.3938 54.7942 40.5266 174.3808 184 L 4.6468 7.4181 117.5652 52.4761 45.7376 177.0842 185 D 4.7476 8.3646 123.5541 51.5434 42.6344 175.4471 186 P 4.2248 0.0000 0.0000 65.6983 31.1541 178.7094 187 L 3.9097 7.8587 118.3366 57.9350 42.1093 178.4529 188 A 3.9538 8.1700 120.7713 55.4308 18.2316 179.7479 189 I 3.6238 7.7175 118.0891 64.3044 37.1294 178.4567 190 K 3.8508 8.0808 120.4632 59.6254 31.9601 178.9040 191 I 3.6744 7.8115 119.8023 64.6254 37.0515 178.9803 192 V 3.6731 7.9065 113.1769 64.1097 31.1858 178.6850 193 E 3.9342 8.3985 118.9564 59.4698 29.1960 179.5923 194 R 4.0074 8.0411 114.6900 58.5275 29.5558 177.9380 195 S 4.5393 7.8082 112.8131 56.6624 64.2606 173.9106 196 K 3.7911 7.4869 119.8184 57.5044 29.6661 175.4957 197 I 4.4828 7.8277 118.6703 59.7400 38.9394 177.6160 198 R 4.2845 8.8828 128.3855 56.1758 31.4666 175.0638 199 V 4.8645 8.5997 125.5820 61.1566 34.5168 173.9981 200 I 4.7873 8.6983 128.9603 59.6587 39.4708 174.5860 201 V 4.7271 8.7413 128.6860 61.7726 33.1546 174.6842 202 M 5.2689 8.8654 124.1796 53.6012 35.6686 173.5337 203 N 4.9457 8.5776 118.1380 52.9429 39.8794 175.5358 204 Y 4.2894 8.4521 124.4213 59.7761 38.3785 178.4508 205 R 3.9724 7.8784 119.3075 59.0956 30.3579 177.3036 206 K 4.5130 8.1322 115.8478 56.2230 32.4145 178.5106 207 L 4.0373 8.1672 123.1383 57.9226 41.6583 179.3124 208 N 4.4127 8.3192 114.8796 55.6840 38.6655 175.5420 209 R 4.6529 8.0607 117.4619 55.5875 31.0758 177.9867 210 I 3.6095 7.7120 120.2771 64.4344 37.8590 177.2186 211 I 3.7154 7.6806 119.9253 64.6077 37.0108 178.0352 212 D 4.4057 8.0607 119.1870 57.2927 40.6843 178.7736 213 I 3.7077 8.0203 120.6017 64.4184 36.9070 178.4969 214 L 4.0495 8.0964 118.9880 57.3427 41.5035 178.8508 215 K 4.3516 7.8037 115.9658 56.1107 32.2452 177.3352 216 G 3.8607 7.9527 107.4078 46.5959 0.0000 173.9340 217 E 4.6670 8.3762 117.0562 55.0837 29.9911 175.5312 218 E 4.6229 7.7599 117.1691 54.4256 32.4959 174.7637 219 V 3.5301 8.8182 125.4685 63.8729 31.4411 175.3201 220 S 4.8753 7.8715 119.3156 58.9360 66.1797 174.0180 221 S 5.1086 8.8088 116.4846 56.7845 65.6451 173.4858 222 I 4.7293 8.6747 125.7800 59.8153 39.2578 174.5651 223 I 4.8570 9.2336 129.4491 59.7271 39.2830 174.5741 224 E 4.9381 9.1782 128.0666 54.3022 31.3608 173.8196 225 P 4.7941 0.0000 0.0000 62.5001 32.4741 176.7463 226 V 4.0058 8.3153 116.7365 61.4867 32.2547 175.3400 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 8.16 4.56 0.00 1.95 1.52 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 2 N 8.87 5.56 0.00 2.89 3.00 0.00 0.00 6.51 6.44 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 3 I 9.99 4.87 1.85 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.62 0.86 0.00 0.00 4 I 8.16 5.00 1.76 0.00 0.00 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 0.97 0.76 0.86 0.00 0.00 5 L 8.81 4.98 0.00 1.66 1.46 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.19 4.63 0.00 1.78 1.73 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 7 I 8.71 4.68 1.77 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.61 -0.22 0.00 0.00 8 S 8.99 4.39 0.00 4.11 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 9 G 9.06 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 10 K 8.10 4.29 0.00 2.03 2.09 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.42 7.81 11 F 7.71 3.21 0.00 1.73 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 12 F 8.27 4.36 0.00 3.41 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 13 D 7.79 4.47 0.00 2.94 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 14 E 8.08 3.96 0.00 1.72 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 2.32 2.54 0.00 15 D 7.66 4.34 0.00 2.93 2.67 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 0.00 0.00 0.00 0.00 16 N 7.34 4.91 0.00 2.60 2.45 0.00 0.00 7.06 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.39 3.74 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 0.81 0.00 0.00 0.93 0.00 0.00 18 D 8.10 4.32 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.61 4.13 0.00 2.15 1.42 0.00 0.00 7.05 6.62 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 20 L 7.71 4.20 0.00 1.83 1.79 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.11 3.77 2.09 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 1.60 0.79 0.93 0.00 0.00 22 V 8.09 3.65 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 0.99 0.00 0.00 1.04 0.00 0.00 23 L 8.46 3.92 0.00 1.86 2.05 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.51 3.90 0.00 2.20 2.09 0.00 3.21 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 25 Q 8.30 3.99 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.48 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 26 S 8.65 4.10 0.00 4.01 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 27 I 7.84 3.79 2.03 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 1.43 0.57 0.96 0.00 0.00 28 K 7.94 3.97 0.00 1.82 1.98 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.57 7.81 29 E 8.44 4.00 0.00 2.23 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 2.37 2.54 0.00 30 L 8.02 4.09 0.00 1.91 1.78 0.83 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.32 4.44 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.41 4.38 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.74 4.89 0.00 3.08 2.99 0.00 0.00 7.14 8.92 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 34 G 8.26 3.84 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 0.00 0.00 0.00 35 F 8.17 4.92 0.00 3.22 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 36 R 9.15 4.51 0.00 2.20 1.89 0.00 2.87 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 37 V 8.71 5.07 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 1.06 0.00 0.00 1.03 0.00 0.00 38 G 9.20 4.80 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 0.00 0.00 0.00 39 I 9.01 5.20 1.89 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 1.12 0.82 0.87 0.00 0.00 40 V 8.71 4.81 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 0.70 0.00 0.00 0.70 0.00 0.00 41 T 8.54 4.96 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 1.18 0.00 0.00 42 G 8.93 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 43 G 8.78 3.80 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 0.00 0.00 0.00 44 G 7.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.41 4.30 0.00 4.07 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 0.00 46 T 8.10 4.07 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 1.29 0.00 0.00 47 A 7.80 4.10 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 48 R 7.83 3.90 0.00 2.04 2.03 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 49 R 8.86 3.90 0.00 1.85 2.22 0.00 3.03 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 50 Y 8.39 3.83 0.00 3.19 3.10 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 0.00 0.00 0.00 51 I 8.17 3.79 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 0.96 0.00 0.00 52 K 8.17 3.91 0.00 1.95 1.80 0.00 1.64 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.45 7.81 53 L 7.64 3.90 0.00 1.74 1.56 0.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.19 4.09 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 55 R 8.38 3.89 0.00 2.02 2.12 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 56 E 8.25 4.10 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 57 I 7.07 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.62 0.90 0.00 0.00 58 G 7.80 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 0.00 0.00 0.00 59 I 7.52 3.82 2.07 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 1.20 0.58 1.02 0.00 0.00 60 G 8.60 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 61 E 8.79 4.02 0.00 2.12 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 2.39 2.45 0.00 62 A 7.98 3.88 0.98 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 63 Y 7.84 4.08 0.00 3.24 3.10 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 0.00 0.00 0.00 64 L 8.15 4.08 0.00 1.91 1.78 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.18 4.38 0.00 2.85 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 4.03 0.00 1.99 1.90 0.86 0.56 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 67 L 8.45 4.28 0.00 1.98 1.87 1.09 0.84 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 68 G 8.21 3.63 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 0.00 69 I 8.06 3.58 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.50 0.00 0.00 70 W 8.33 4.23 0.00 3.37 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 71 A 8.33 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.97 4.21 0.00 4.15 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 73 R 7.96 3.79 0.00 2.17 2.14 0.00 2.21 0.00 0.00 2.68 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 74 L 8.07 4.06 0.00 1.82 1.86 0.95 0.51 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 75 N 7.82 3.94 0.00 2.29 1.42 0.00 0.00 6.93 8.05 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 76 A 7.64 3.80 1.10 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 0.00 0.00 0.00 0.00 0.00 77 Y 7.83 3.40 0.00 2.93 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.69 3.96 0.00 1.82 1.91 1.05 1.13 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 79 V 7.59 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 0.89 0.00 0.00 1.18 0.00 0.00 80 M 8.33 4.18 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 81 F 8.55 4.72 0.00 3.29 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 82 S 8.23 4.34 0.00 4.13 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 0.00 83 L 8.01 4.38 0.00 1.95 1.80 0.97 0.65 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 84 Q 8.33 3.30 0.00 2.41 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 85 D 9.31 4.57 0.00 2.69 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 86 L 8.15 4.07 0.00 1.90 1.76 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.24 5.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.56 4.21 0.00 2.85 2.92 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 89 M 7.59 4.34 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 90 H 7.25 4.61 0.00 2.83 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.29 4.16 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 0.64 0.00 0.00 -0.22 0.00 0.00 92 P 0.00 4.62 0.00 2.44 2.40 0.00 4.08 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 93 Q 9.41 4.43 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 94 S 7.19 3.74 0.00 3.66 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 95 L 7.09 3.54 0.00 1.41 1.50 0.91 0.90 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 96 E 7.96 3.93 0.00 1.97 1.96 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 2.37 2.35 0.00 97 E 8.18 4.00 0.00 2.16 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 2.37 2.30 0.00 98 F 8.37 4.15 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.67 3.64 2.08 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 1.52 0.95 0.94 0.00 0.00 100 Q 7.83 4.05 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 101 D 8.41 4.13 0.00 2.84 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 0.00 102 W 8.55 4.00 0.00 2.49 2.88 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 0.00 103 S 7.51 4.13 0.00 4.05 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.45 4.34 0.00 2.72 3.14 0.00 5.92 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.30 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 0.00 0.00 0.00 106 K 7.12 4.48 0.00 1.76 1.96 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.53 7.81 107 V 8.07 4.39 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 1.39 0.00 0.00 0.99 0.00 0.00 108 V 8.84 4.85 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 1.26 0.00 0.00 1.16 0.00 0.00 109 V 8.52 4.94 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 0.91 0.00 0.00 0.96 0.00 0.00 110 T 9.34 4.56 4.41 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 1.07 0.00 0.00 111 G 8.15 4.12 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 0.00 0.00 0.00 112 G 8.16 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 0.00 113 F 8.33 5.18 0.00 2.89 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 0.00 114 Q 7.72 4.53 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 115 P 0.00 4.28 0.00 2.02 2.02 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 116 G 10.37 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 0.00 0.00 0.00 117 Q 7.40 4.58 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 118 S 8.37 4.72 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.15 3.75 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 1.11 0.00 0.00 120 A 7.65 3.86 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.81 3.87 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 0.00 122 V 7.35 3.17 1.81 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 0.07 0.00 0.00 0.41 0.00 0.00 123 A 7.94 3.72 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 0.00 124 A 7.91 3.82 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 0.00 125 L 8.00 3.88 0.00 1.84 1.75 1.02 1.12 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 0.00 126 V 7.76 2.93 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 0.31 0.00 0.00 -0.03 0.00 0.00 127 A 7.99 3.74 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.39 3.78 0.00 2.04 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 2.28 2.31 0.00 129 A 8.09 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.63 4.27 0.00 3.26 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 0.00 131 S 7.68 3.71 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.73 0.00 3.89 3.96 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 0.00 133 K 8.64 4.39 0.00 1.72 1.86 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.45 7.81 134 T 7.80 5.04 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 1.18 0.00 0.00 135 L 8.98 4.76 0.00 1.65 1.45 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.74 4.53 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 0.67 0.00 0.00 0.85 0.00 0.00 137 V 9.12 4.60 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 0.96 0.00 0.00 0.90 0.00 0.00 138 A 9.14 4.95 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 0.00 139 T 8.98 5.30 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 1.29 0.00 0.00 140 N 8.66 4.31 0.00 2.79 2.97 0.00 0.00 5.59 7.68 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 0.00 141 V 7.09 4.52 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 1.27 0.00 0.00 0.93 0.00 0.00 142 D 9.05 4.49 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.64 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 V 8.02 4.00 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 0.95 0.00 0.00 0.91 0.00 0.00 145 Y 8.19 5.11 0.00 3.09 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.34 4.08 0.00 1.98 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 2.35 2.28 0.00 147 K 7.70 4.53 0.00 1.49 1.58 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.66 1.49 7.81 148 D 8.99 4.40 0.00 2.83 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 P 0.00 4.56 0.00 1.71 1.16 0.00 3.42 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 150 R 8.00 4.17 0.00 1.90 1.96 0.00 3.23 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 151 I 7.63 3.92 1.51 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 -0.03 0.00 0.00 152 Y 7.81 4.49 0.00 2.99 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 0.00 153 A 8.47 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.54 4.38 0.00 2.85 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 0.00 155 V 7.28 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 1.03 0.00 0.00 1.06 0.00 0.00 156 K 8.57 4.64 0.00 1.93 1.72 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.52 1.47 7.81 157 L 8.44 3.40 0.00 1.13 1.35 0.73 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.48 4.28 1.79 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 1.24 0.65 0.88 0.00 0.00 159 P 0.00 4.54 0.00 2.08 2.26 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.77 0.00 160 H 7.96 5.39 0.00 3.08 3.12 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 L 9.05 4.75 0.00 1.86 1.70 0.90 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 162 T 8.76 5.08 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 1.17 0.00 0.00 163 T 8.59 3.91 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 1.24 0.00 0.00 164 Q 7.98 3.95 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 165 D 7.98 4.34 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.91 0.00 1.75 1.81 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.08 4.05 0.00 2.01 2.05 0.00 3.14 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 168 K 7.69 3.99 0.00 1.93 1.84 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 169 I 7.80 3.82 2.01 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 1.30 0.56 1.03 0.00 0.00 170 L 8.29 4.31 0.00 1.59 1.72 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.78 3.78 0.00 2.16 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 0.00 2.24 2.40 0.00 *182 E 7.72 3.97 0.00 1.95 1.96 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 2.21 2.42 0.00 183 L 8.02 3.83 0.00 1.85 1.65 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 184 L 7.42 4.65 0.00 1.55 1.50 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 185 D 8.36 4.75 0.00 2.84 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 0.00 186 P 0.00 4.22 0.00 2.16 2.14 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 187 L 7.86 3.91 0.00 1.73 1.63 0.90 0.99 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 0.00 188 A 8.17 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.72 3.62 1.85 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 1.39 0.65 0.90 0.00 0.00 190 K 8.08 3.85 0.00 1.82 2.01 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 191 I 7.81 3.67 1.95 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 1.75 0.65 0.93 0.00 0.00 192 V 7.91 3.67 2.27 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 0.76 0.00 0.00 0.98 0.00 0.00 193 E 8.40 3.93 0.00 2.20 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 2.31 2.44 0.00 194 R 8.04 4.01 0.00 1.95 2.13 0.00 3.03 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 195 S 7.81 4.54 0.00 3.98 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 0.00 196 K 7.49 3.79 0.00 1.86 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.38 7.81 197 I 7.83 4.48 1.84 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 1.26 0.66 0.93 0.00 0.00 198 R 8.88 4.28 0.00 1.90 1.89 0.00 3.04 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 199 V 8.60 4.86 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 0.94 0.00 0.00 0.90 0.00 0.00 200 I 8.70 4.79 1.83 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 1.09 0.64 0.88 0.00 0.00 201 V 8.74 4.73 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 1.01 0.00 0.00 0.91 0.00 0.00 202 M 8.87 5.27 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 203 N 8.58 4.95 0.00 2.81 2.65 0.00 0.00 6.62 7.56 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 0.00 204 Y 8.45 4.29 0.00 3.27 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 0.00 205 R 7.88 3.97 0.00 1.84 2.08 0.00 3.38 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 206 K 8.13 4.51 0.00 1.94 1.80 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 207 L 8.17 4.04 0.00 1.87 1.77 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 208 N 8.32 4.41 0.00 2.71 2.92 0.00 0.00 6.75 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 0.00 209 R 8.06 4.65 0.00 1.94 1.89 0.00 3.15 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 210 I 7.71 3.61 1.93 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 1.41 1.30 0.92 0.00 0.00 211 I 7.68 3.72 1.90 0.00 0.00 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 1.73 1.11 0.97 0.00 0.00 212 D 8.06 4.41 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 I 8.02 3.71 1.97 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 1.50 0.96 0.88 0.00 0.00 214 L 8.10 4.05 0.00 1.74 1.76 0.55 0.68 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 0.00 215 K 7.80 4.35 0.00 1.89 1.86 0.00 1.80 0.00 0.00 1.97 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.49 7.81 216 G 7.95 3.86 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 0.00 0.00 0.00 217 E 8.38 4.67 0.00 2.00 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 2.24 2.27 0.00 218 E 7.76 4.62 0.00 1.85 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 2.19 2.34 0.00 219 V 8.82 3.53 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 0.80 0.00 0.00 0.92 0.00 0.00 220 S 7.87 4.88 0.00 3.98 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 0.00 221 S 8.81 5.11 0.00 3.68 3.75 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 0.00 222 I 8.67 4.73 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.76 0.92 0.00 0.00 223 I 9.23 4.86 1.86 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 1.21 1.01 0.87 0.00 0.00 224 E 9.18 4.94 0.00 1.81 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 2.39 2.33 0.00 225 P 0.00 4.79 0.00 2.06 2.25 0.00 3.70 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 1.98 1.95 0.00 226 V 8.32 4.01 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 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.