NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3506 8.2893 118.1950 55.3706 32.4148 175.2802 2 M 4.1390 8.3081 120.1649 52.8177 30.6710 171.7107 3 E 3.9264 8.7669 125.2743 56.7862 31.0935 177.7493 4 Q 4.3824 8.4996 125.3805 54.6200 30.6319 175.9443 5 V 3.4914 8.6885 125.2872 66.6269 31.3592 177.7675 6 C 4.1331 8.1924 113.2402 61.3293 29.0368 175.5378 7 D 4.2163 8.2694 121.5458 56.8715 40.4198 178.7898 8 V 3.2713 7.2903 116.9007 65.5183 31.5658 177.0846 9 F 4.7394 7.4272 114.9204 55.3751 40.7514 175.4646 10 D 3.9289 7.2950 116.9369 55.1137 38.5158 172.5863 11 I 4.6103 7.3889 119.6273 60.2726 39.1605 176.2407 12 Y 5.3216 9.3740 124.6541 56.0514 42.1446 174.4370 13 A 5.5885 9.1797 121.9848 50.5004 22.5706 175.2291 14 I 5.5018 9.1300 120.7507 59.8138 41.4198 173.9451 15 C 5.0379 9.3724 122.9062 57.1842 33.7657 172.2174 16 A 4.9344 8.3110 119.3680 50.4380 21.6822 175.4450 17 C 5.7997 9.3322 119.2169 57.5041 33.0488 173.6703 18 C 5.7220 8.8807 117.6938 55.8446 33.1865 172.2718 19 K 4.8188 8.9331 118.0565 55.2200 33.0117 177.3510 20 V 4.3157 8.2283 123.4335 62.2792 32.9213 175.6557 21 E 4.2017 8.7991 125.4009 55.8661 29.1094 177.0811 22 S 4.4965 8.4119 119.1445 57.5516 64.5243 175.0338 23 K 4.2670 8.0940 122.7480 54.5047 31.0116 174.4736 24 N 4.1748 8.0850 120.1961 54.5299 37.4339 175.6175 25 E 4.2519 8.6071 121.8903 56.1221 29.9756 176.6280 26 G 4.3413 8.4145 108.8166 45.6833 0.0000 175.2841 27 K 4.5281 7.6139 117.0806 55.1176 33.0793 176.3051 28 K 4.3782 7.8359 131.1380 56.6794 31.9059 177.1177 29 N 5.0497 7.2525 110.9880 52.2854 40.1138 175.4302 30 E 3.8019 7.9334 117.9349 56.1850 30.6496 175.6596 31 V 4.1322 7.5700 123.5107 61.3427 33.2601 175.0747 32 F 5.0618 8.1497 122.6034 56.0917 42.7745 173.7059 33 N 4.9009 8.6953 119.4007 52.2786 40.4145 175.0140 34 N 4.5255 8.8528 114.6318 56.6773 38.6129 176.6735 35 Y 4.4976 7.8787 117.5455 59.6244 38.8989 176.7502 36 T 3.8116 8.2453 116.6328 66.3260 68.5881 173.3440 37 F 5.0312 7.7591 120.2695 55.9884 37.8795 175.1767 38 R 4.8665 8.1361 117.9042 55.1082 32.0989 174.8927 39 G 4.2672 8.8459 109.6125 46.7878 0.0000 174.2566 40 L 4.5305 8.7248 126.4538 56.4128 43.2068 176.9588 41 G 4.0240 7.4503 103.2776 45.3555 0.0000 171.6264 42 N 5.2454 9.1303 117.6998 52.2680 41.9871 174.5188 43 K 3.9610 10.7800 127.1596 57.5719 30.0756 176.2495 44 G 3.9436 8.1604 104.4916 45.6389 0.0000 172.4708 45 V 4.3945 7.2094 111.8321 59.0335 35.6342 174.4200 46 L 3.7171 7.7632 119.7712 54.0310 41.7587 176.7923 47 P 4.0900 0.0000 0.0000 64.6105 31.3893 177.1722 48 W 4.0761 6.2580 112.3783 55.2962 28.0792 176.0829 49 K 3.7638 7.9155 120.2905 56.8243 30.4764 175.8751 50 C 4.7864 7.9407 114.7166 56.4054 33.3089 175.0418 51 N 5.0063 8.5948 119.2277 51.2513 40.4026 174.6794 52 S 4.1234 9.0347 124.7630 61.4567 62.8720 176.3995 53 L 3.8884 7.7788 123.7419 57.9418 41.9338 178.3701 54 D 4.5762 9.1765 118.3966 57.5074 41.0394 177.7663 55 M 4.0320 8.4391 119.0661 58.7215 32.2729 178.0667 56 K 3.8463 8.4448 120.0765 59.6304 32.2350 178.1350 57 Y 3.7654 8.1670 119.9389 60.4577 38.7144 177.3637 58 F 3.9241 8.8247 121.9684 61.3219 39.5798 177.0946 59 R 3.5059 8.2547 118.1652 59.1241 30.0074 178.2711 60 A 3.7910 7.6261 120.5614 55.0186 18.1285 179.8216 61 V 3.0325 6.8616 115.5850 66.1268 31.6617 178.1751 62 T 3.1791 6.8407 107.2648 63.3089 68.6457 175.4061 63 T 4.3264 7.1110 110.6982 61.0765 70.2049 174.2054 64 Y 4.0494 7.1915 123.5137 57.6038 39.3323 175.2450 65 V 3.1338 6.6555 118.5133 59.2250 35.8679 174.3361 66 N 4.3948 5.8230 119.9921 50.9940 40.1385 174.6405 67 E 4.0026 8.4636 127.0306 59.3244 29.3406 179.2588 68 S 4.3047 8.1285 113.1560 60.3756 63.5549 175.5820 69 K 4.4510 8.0176 121.0128 56.6648 32.1093 177.7220 70 Y 4.3441 8.0061 121.4701 60.9812 38.8751 177.1784 71 E 3.7035 8.3983 118.9893 59.6402 29.3582 179.4824 72 K 3.9755 7.9394 118.8119 59.5085 32.3006 178.7955 73 L 3.8906 7.3556 118.0514 57.2338 41.3822 179.2629 74 K 3.5592 7.7225 120.1052 59.6028 32.1073 177.9937 75 Y 4.1189 7.9817 119.7014 60.6286 38.6319 178.2489 76 K 3.5374 7.6702 120.2116 59.5395 32.4708 179.0250 77 R 3.6324 7.8723 118.3674 59.4312 29.8958 178.9660 78 C 4.1965 8.2003 116.6782 62.5050 28.0743 176.0245 79 K 3.7328 8.0368 121.7501 59.6438 31.4941 178.2737 80 Y 3.9982 7.7765 118.6005 60.1851 38.7768 177.0257 81 L 4.2077 7.5750 116.6159 54.0891 42.0463 176.7498 82 N 4.1622 7.5528 115.1962 53.7597 36.4537 174.2303 83 K 4.2847 8.2158 120.8983 55.0985 31.4780 174.8740 84 E 5.0274 8.0828 125.1752 55.3821 34.9359 175.1529 85 T 4.3177 8.5904 122.9564 64.5411 75.7641 175.0942 *96 K 4.2118 9.2943 126.8618 56.2379 34.3531 175.5288 97 K 4.1515 7.7561 120.3264 55.2596 32.9195 176.2512 98 L 3.9607 7.7357 127.2137 55.3750 42.7048 175.9736 99 Q 4.6967 8.1980 122.4342 54.5687 33.9120 173.6228 100 N 5.4031 8.7137 117.5199 52.3604 41.6768 174.0878 101 V 4.8718 8.9952 120.0432 61.4075 34.6811 174.7475 102 V 5.0427 8.7361 118.9517 59.6117 35.3492 174.5448 103 V 5.0010 8.9901 125.9138 61.2819 33.8956 174.2751 104 M 5.3037 9.0799 124.3184 53.4658 35.4566 174.8087 105 G 4.1066 8.9193 107.8243 45.5353 0.0000 175.0295 106 R 4.2104 8.3512 118.9902 59.7316 29.7408 178.8392 107 T 3.9848 7.8983 114.3859 66.5082 68.8035 175.9802 108 N 4.4623 8.1472 118.0828 55.9153 38.6662 176.8046 109 W 4.2669 8.2326 129.7339 60.8769 30.6247 177.9234 110 E 4.0757 8.3874 116.5268 58.6328 28.9594 178.6409 111 S 4.2988 7.6436 112.6376 58.4803 63.7856 174.1236 112 I 4.0721 6.8195 124.4729 59.5385 38.0458 174.1272 113 P 4.3568 0.0000 0.0000 62.3950 32.2662 177.4997 114 K 3.8540 8.6435 120.9160 59.4470 32.1019 179.5198 115 K 3.9022 7.7873 116.1258 58.8088 32.3983 177.2083 116 F 5.0070 7.6552 116.5868 57.1120 39.6623 175.3220 117 K 4.4776 7.5875 120.8140 53.7104 33.5184 174.6794 118 P 4.8389 0.0000 0.0000 61.6363 32.8227 175.8829 119 L 4.2426 9.5326 119.8273 54.6620 41.8005 177.5635 120 S 4.2565 8.7421 118.5501 59.9126 63.2860 173.4867 121 N 4.4334 8.9860 118.1229 54.1826 36.0656 173.9198 122 R 4.7873 7.4680 113.5729 54.5014 34.7287 175.1796 123 I 4.2305 8.7456 123.3869 60.7910 38.3138 174.8080 124 N 5.1366 8.8673 125.7667 52.4582 40.1315 174.4088 125 V 4.8092 9.1012 124.1562 61.0351 34.7205 174.1069 126 I 4.8762 8.7272 128.3305 59.4512 40.5709 174.3235 127 L 4.9992 8.6957 126.9981 53.7423 43.2386 175.6425 128 S 4.6994 8.4503 116.1906 58.2516 66.0084 175.8276 129 R 4.3724 8.7097 122.2906 57.8602 32.0378 177.8248 130 T 4.0775 7.9666 105.8350 63.1686 69.1580 174.0276 131 L 5.1122 7.8581 121.4665 52.8677 44.9259 175.4198 132 K 4.8127 9.1967 120.2675 53.8630 36.4597 177.4242 133 K 3.9639 8.8000 118.7919 60.5044 32.0929 178.9146 134 E 4.0765 8.1417 117.3464 58.9277 29.5018 177.3709 135 D 4.4944 8.5647 117.1169 55.0140 41.1856 176.1176 136 F 4.9088 7.9029 117.6413 55.6322 41.6928 174.7784 137 D 4.5934 8.3485 122.3171 56.1882 41.6732 177.1055 138 E 4.2694 8.1327 116.9393 56.1524 30.0656 176.9001 139 D 4.5481 8.3414 121.1601 53.6382 39.5630 175.4351 140 V 4.5886 7.2470 115.5487 59.6145 36.6096 173.0882 141 Y 4.5079 8.8756 120.0750 56.4493 40.2072 174.9328 142 I 4.7774 8.2381 124.4382 59.4072 39.3545 174.9969 143 I 4.7035 8.6536 120.4676 58.8550 40.8628 175.6471 144 N 4.9295 8.4883 119.7977 51.4365 37.6422 174.3353 145 K 4.4730 7.3459 116.3836 55.9573 35.3065 176.6039 146 V 3.5095 8.2532 120.0874 66.0531 31.9804 178.0295 147 E 3.9444 8.2174 119.0455 59.6496 29.1382 178.9344 148 D 4.3558 7.9116 118.6295 56.9338 40.7523 178.7035 149 L 3.8002 7.7634 121.0706 58.2480 41.9529 178.9590 150 I 3.2500 7.5510 117.8127 64.2190 37.1957 178.1736 151 V 3.6343 7.5859 118.9064 65.8082 31.3870 177.8094 152 L 3.8267 7.9912 120.4836 58.2093 41.4251 179.0031 153 L 3.9737 8.3461 118.9748 57.0084 41.2464 178.8547 154 G 3.8170 7.4740 103.4376 45.5784 0.0000 174.0951 155 K 4.5363 7.8478 118.5794 56.0303 33.9796 176.1617 156 L 4.6372 7.2895 118.1013 53.2049 43.4404 175.7478 157 N 5.0606 8.8394 117.5944 51.4360 39.0194 173.9695 158 Y 4.7254 7.7745 120.3059 56.0038 41.1222 174.3531 159 Y 4.4122 9.2280 122.9227 59.5896 38.7267 175.2551 160 K 4.8276 9.5668 117.2730 54.6994 37.5532 174.2026 161 C 5.1051 8.8390 122.4649 57.8572 33.7828 172.3921 162 F 5.4365 9.4176 125.8789 55.9158 41.3729 174.9291 163 I 4.5146 9.2860 125.8765 60.2510 37.9817 175.9836 164 I 4.5551 8.4583 120.8409 60.7646 38.5674 174.8888 165 G 2.9657 7.7256 108.9351 44.5028 0.0000 173.1215 166 G 3.8788 8.1595 106.6948 43.9420 0.0000 174.1557 167 S 4.3847 8.8582 114.8831 61.9193 62.8846 176.5628 168 V 3.5550 7.8331 121.5695 65.6057 31.3975 177.8500 169 V 3.8646 7.7565 117.2083 66.2570 31.3785 177.2714 170 Y 4.3628 8.1425 116.6893 61.2574 37.7334 178.1381 171 Q 3.9727 8.6990 120.9525 59.5379 29.0834 178.7622 172 E 4.1431 8.2291 118.1203 59.4087 29.6650 179.0272 173 F 4.0692 8.3143 118.4226 60.1601 38.9085 177.6367 174 L 4.2134 8.2639 118.9191 57.5607 41.2300 179.0228 175 E 3.9681 8.1116 117.8365 59.5406 29.6608 179.3768 176 K 4.0417 8.3098 116.2664 56.5232 32.7514 176.8043 177 K 3.9937 7.7842 117.8341 57.8937 29.6589 175.7784 178 L 4.6141 8.3164 115.6176 54.5852 42.6478 176.9465 179 I 4.5759 7.7467 120.5686 59.8262 38.5227 175.4017 180 K 4.3334 9.0047 127.7708 59.0199 33.3700 176.5134 181 K 5.2267 8.0979 116.6110 55.3485 37.2832 175.1737 182 I 5.0219 8.6354 122.3276 59.9993 40.5379 174.5651 183 Y 4.8013 9.5052 126.8624 57.0680 39.0112 174.3707 184 F 5.0461 9.4729 128.2841 56.6637 42.0680 174.1854 185 T 4.7411 8.4001 123.1901 62.1690 70.7515 173.9822 186 R 4.5896 8.3709 126.5246 54.7087 31.3521 176.0464 187 I 3.7555 8.2607 127.2831 59.3227 37.6607 176.8783 188 N 5.3256 8.2475 132.1331 52.4353 36.3867 173.3790 189 S 4.6848 7.7653 114.4980 57.8586 67.5432 174.3215 190 T 5.4919 7.9056 116.3967 61.4991 70.1738 173.6332 191 Y 4.9167 8.4806 121.7848 56.0074 42.7233 174.4466 192 E 4.2102 8.9793 122.0571 56.5721 30.3444 175.8749 193 C 5.0534 8.5791 122.4910 58.2289 32.0072 173.2642 194 D 4.9814 8.7350 119.2959 52.5229 41.2286 175.3175 195 V 4.2689 6.8385 118.7626 59.9317 34.7822 174.4559 196 F 5.4924 8.4028 120.3283 55.5922 43.1826 174.0534 197 F 4.4720 9.3814 123.8360 57.1017 39.9291 173.8824 198 P 4.4647 0.0000 0.0000 62.2732 31.8200 175.8157 199 E 4.3767 8.7035 122.6244 56.1563 29.9864 176.4019 200 I 3.9300 8.4156 127.7232 60.5938 37.9408 175.0790 201 N 4.4383 8.8378 124.1038 53.3026 38.3029 174.8605 202 E 4.4730 8.7555 127.1641 58.0818 29.8524 177.4966 203 N 4.6124 8.5192 114.9490 55.0119 39.2128 175.7648 204 E 4.3272 8.5873 117.2490 56.2367 30.8043 175.6449 205 Y 5.2400 7.7763 115.2815 56.0941 41.6817 173.9573 206 Q 4.9645 8.9256 122.1965 53.9784 32.8273 174.8154 207 I 4.1970 8.3772 124.0155 61.2769 37.3049 175.7532 208 I 4.4735 8.7343 119.6597 61.0694 39.5099 175.7883 209 S 4.7324 7.6457 117.8282 57.2409 67.4978 173.1405 210 V 4.6962 8.2053 122.3858 61.3535 34.2267 175.3643 211 S 4.7396 8.4449 123.0562 56.9954 65.4662 173.2054 212 D 4.3961 8.6146 118.7619 54.2435 41.6413 175.3194 213 V 4.2944 7.5613 122.2943 61.8586 33.2274 174.1644 214 Y 4.9432 8.8927 123.3503 56.7000 42.9653 173.9366 215 T 5.1789 8.3770 115.9544 62.1729 71.6821 174.1716 216 S 4.4330 9.5181 118.6577 58.7586 66.1701 174.1452 217 N 4.1123 9.6843 124.4450 54.8077 35.9584 173.4323 218 N 4.2472 8.1810 106.3790 53.9854 36.6118 174.5598 219 T 4.5990 7.4430 109.3021 61.4409 71.6452 172.6758 220 T 5.4017 8.5166 117.4413 60.7427 71.3384 173.0005 221 L 4.9628 8.1857 120.3061 56.3376 43.5784 172.6860 222 D 4.6757 7.5869 118.1452 52.2734 43.5334 173.5160 223 F 5.2834 8.7738 117.2752 55.5645 41.8906 174.8980 224 I 5.0025 9.0690 116.9407 59.0719 41.3807 174.3635 225 I 4.9240 8.3840 122.9541 59.9104 40.3323 174.4651 226 Y 5.1085 8.9813 124.8154 56.5118 40.6129 174.7052 227 K 5.1423 9.3959 122.9768 54.1639 36.0057 175.3955 228 K 3.8750 8.6234 128.3600 57.2474 33.1099 176.7757 229 T 4.4162 8.4530 117.7419 60.4773 71.5547 173.4843 230 N 4.4667 8.6403 118.6348 54.6112 39.1852 175.1986 231 N 4.4780 8.7821 118.1772 53.9499 38.9072 174.1321 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 8.29 4.35 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 M 8.31 4.14 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 3 E 8.77 3.93 0.00 2.15 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 2.34 2.37 0.00 4 Q 8.50 4.38 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 5 V 8.69 3.49 2.14 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 1.21 0.00 0.00 1.05 0.00 0.00 6 C 8.19 4.13 0.00 3.29 3.20 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 7 D 8.27 4.22 0.00 2.74 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 8 V 7.29 3.27 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 0.00 0.00 -0.23 0.00 0.00 0.22 0.00 0.00 9 F 7.43 4.74 0.00 3.09 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 10 D 7.29 3.93 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 11 I 7.39 4.61 2.06 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 1.20 0.79 0.86 0.00 0.00 12 Y 9.37 5.32 0.00 2.73 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 13 A 9.18 5.59 1.52 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 0.00 0.00 14 I 9.13 5.50 2.16 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 1.62 1.49 1.22 0.00 0.00 15 C 9.37 5.04 0.00 2.72 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 16 A 8.31 4.93 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 17 C 9.33 5.80 0.00 2.77 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 8.88 5.72 0.00 3.55 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 19 K 8.93 4.82 0.00 1.85 1.70 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.04 1.06 7.81 20 V 8.23 4.32 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 1.04 0.00 0.00 21 E 8.80 4.20 0.00 2.08 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 2.33 2.33 0.00 22 S 8.41 4.50 0.00 3.94 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 23 K 8.09 4.27 0.00 1.87 1.88 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.40 7.81 24 N 8.09 4.17 0.00 2.83 2.90 0.00 0.00 6.36 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 25 E 8.61 4.25 0.00 1.95 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 2.27 2.44 0.00 26 G 8.41 4.34 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 0.00 27 K 7.61 4.53 0.00 1.74 1.73 0.00 1.37 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.46 7.81 28 K 7.84 4.38 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 29 N 7.25 5.05 0.00 2.61 2.69 0.00 0.00 7.16 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 30 E 7.93 3.80 0.00 1.69 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 1.59 2.01 0.00 31 V 7.57 4.13 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 0.85 0.00 0.00 0.85 0.00 0.00 32 F 8.15 5.06 0.00 3.05 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 33 N 8.70 4.90 0.00 3.03 3.00 0.00 0.00 7.09 7.11 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 34 N 8.85 4.53 0.00 2.92 3.03 0.00 0.00 6.48 7.48 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 35 Y 7.88 4.50 0.00 2.91 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 36 T 8.25 3.81 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 0.78 0.00 0.00 37 F 7.76 5.03 0.00 3.31 3.30 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 38 R 8.14 4.87 0.00 1.85 1.82 0.00 2.42 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.55 0.00 39 G 8.85 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 0.00 0.00 0.00 0.00 40 L 8.72 4.53 0.00 1.76 1.80 1.33 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.45 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 42 N 9.13 5.25 0.00 2.76 2.52 0.00 0.00 7.27 6.88 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 43 K 10.78 3.96 0.00 1.85 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.34 7.81 44 G 8.16 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 45 V 7.21 4.39 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 0.71 0.00 0.00 0.88 0.00 0.00 46 L 7.76 3.72 0.00 1.11 0.13 0.72 0.63 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 47 P 0.00 4.09 0.00 2.09 2.34 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 48 W 6.26 4.08 0.00 2.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 3.76 0.00 1.97 1.86 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 50 C 7.94 4.79 0.00 3.04 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 51 N 8.59 5.01 0.00 2.69 2.77 0.00 0.00 6.72 7.63 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 52 S 9.03 4.12 0.00 4.12 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 0.00 53 L 7.78 3.89 0.00 1.72 1.83 0.75 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.18 4.58 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 55 M 8.44 4.03 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 56 K 8.44 3.85 0.00 1.87 2.00 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 57 Y 8.17 3.77 0.00 2.61 2.98 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 58 F 8.82 3.92 0.00 3.14 3.23 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 59 R 8.25 3.51 0.00 1.86 1.81 0.00 3.09 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 60 A 7.63 3.79 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 6.86 3.03 1.19 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 -0.15 0.00 0.00 -0.18 0.00 0.00 62 T 6.84 3.18 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 0.10 0.00 0.00 63 T 7.11 4.33 4.17 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 1.14 0.00 0.00 64 Y 7.19 4.05 0.00 2.98 2.85 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 65 V 6.66 3.13 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 0.74 0.00 0.00 0.53 0.00 0.00 66 N 5.82 4.39 0.00 2.52 2.57 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.46 4.00 0.00 1.98 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 2.24 2.17 0.00 68 S 8.13 4.30 0.00 4.07 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 69 K 8.02 4.45 0.00 2.27 2.05 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.53 7.81 70 Y 8.01 4.34 0.00 3.13 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 71 E 8.40 3.70 0.00 2.04 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 2.40 2.45 0.00 72 K 7.94 3.98 0.00 1.83 1.99 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 73 L 7.36 3.89 0.00 1.66 1.50 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.72 3.56 0.00 0.92 1.70 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.30 7.81 75 Y 7.98 4.12 0.00 3.04 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 76 K 7.67 3.54 0.00 1.69 1.80 0.00 1.52 0.00 0.00 1.39 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.33 7.81 77 R 7.87 3.63 0.00 1.80 1.95 0.00 3.04 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 78 C 8.20 4.20 0.00 3.06 3.30 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 79 K 8.04 3.73 0.00 1.11 1.58 0.00 1.20 0.00 0.00 1.32 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.24 7.81 80 Y 7.78 4.00 0.00 2.82 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.57 4.21 0.00 1.74 1.74 1.17 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 82 N 7.55 4.16 0.00 2.85 2.89 0.00 0.00 6.78 7.67 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 83 K 8.22 4.28 0.00 1.70 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.41 7.81 84 E 8.08 5.03 0.00 1.97 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 2.29 0.00 85 T 8.59 4.32 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 1.23 0.00 0.00 *96 K 9.29 4.21 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 97 K 7.76 4.15 0.00 1.68 1.66 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.34 7.81 98 L 7.74 3.96 0.00 1.49 1.34 0.25 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.20 4.70 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 100 N 8.71 5.40 0.00 2.98 3.18 0.00 0.00 6.27 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 0.00 101 V 9.00 4.87 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 0.67 0.00 0.00 0.61 0.00 0.00 102 V 8.74 5.04 2.22 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 0.69 0.00 0.00 1.10 0.00 0.00 103 V 8.99 5.00 1.88 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 1.05 0.00 0.00 0.80 0.00 0.00 104 M 9.08 5.30 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 105 G 8.92 4.11 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 0.00 106 R 8.35 4.21 0.00 2.12 2.02 0.00 3.17 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 107 T 7.90 3.98 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 1.21 0.00 0.00 108 N 8.15 4.46 0.00 2.96 2.91 0.00 0.00 6.77 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 0.00 109 W 8.23 4.27 0.00 3.52 3.41 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 0.00 110 E 8.39 4.08 0.00 2.04 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 2.58 2.82 0.00 111 S 7.64 4.30 0.00 4.03 4.10 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 0.00 112 I 6.82 4.07 1.56 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 1.18 0.62 0.84 0.00 0.00 113 P 0.00 4.36 0.00 2.19 1.92 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 114 K 8.64 3.85 0.00 1.69 1.80 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.33 7.81 115 K 7.79 3.90 0.00 1.49 1.68 0.00 1.02 0.00 0.00 1.37 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 0.21 7.81 116 F 7.66 5.01 0.00 3.15 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 0.00 117 K 7.59 4.48 0.00 1.52 1.42 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.83 7.81 118 P 0.00 4.84 0.00 2.45 2.41 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 119 L 9.53 4.24 0.00 1.88 1.74 1.14 1.02 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 0.00 120 S 8.74 4.26 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.99 4.43 0.00 2.85 2.91 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 0.00 122 R 7.47 4.79 0.00 1.74 1.82 0.00 3.10 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 123 I 8.75 4.23 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.99 0.00 0.00 124 N 8.87 5.14 0.00 2.77 2.86 0.00 0.00 6.48 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 0.00 125 V 9.10 4.81 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 0.98 0.00 0.00 0.76 0.00 0.00 126 I 8.73 4.88 1.36 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 1.00 0.06 0.77 0.00 0.00 127 L 8.70 5.00 0.00 1.60 1.61 1.13 0.58 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 0.00 128 S 8.45 4.70 0.00 3.93 3.66 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 0.00 0.00 0.00 0.00 129 R 8.71 4.37 0.00 1.81 1.92 0.00 3.27 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 130 T 7.97 4.08 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 0.00 131 L 7.86 5.11 0.00 1.85 1.80 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 132 K 9.20 4.81 0.00 1.86 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.37 7.81 133 K 8.80 3.96 0.00 1.90 2.07 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 134 E 8.14 4.08 0.00 1.98 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 2.32 2.40 0.00 135 D 8.56 4.49 0.00 2.47 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 0.00 0.00 0.00 0.00 136 F 7.90 4.91 0.00 2.87 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 0.00 137 D 8.35 4.59 0.00 2.75 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 0.00 138 E 8.13 4.27 0.00 2.22 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 2.75 2.57 0.00 139 D 8.34 4.55 0.00 2.61 2.62 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 0.00 0.00 0.00 140 V 7.25 4.59 1.61 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 0.51 0.00 0.00 0.33 0.00 0.00 141 Y 8.88 4.51 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.78 1.75 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.65 0.83 0.00 0.00 143 I 8.65 4.70 1.84 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 1.33 0.73 0.87 0.00 0.00 144 N 8.49 4.93 0.00 2.84 2.99 0.00 0.00 6.74 7.01 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 0.00 145 K 7.35 4.47 0.00 1.96 1.85 0.00 1.48 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.59 7.81 146 V 8.25 3.51 1.87 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 0.56 0.00 0.00 0.44 0.00 0.00 147 E 8.22 3.94 0.00 2.05 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 2.44 0.00 148 D 7.91 4.36 0.00 2.79 2.68 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 0.00 149 L 7.76 3.80 0.00 1.80 1.88 0.75 1.17 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 0.00 150 I 7.55 3.25 1.87 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 1.62 0.86 0.65 0.00 0.00 151 V 7.59 3.63 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 0.96 0.00 0.00 0.92 0.00 0.00 152 L 7.99 3.83 0.00 1.70 1.62 0.55 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.35 3.97 0.00 1.13 1.61 0.68 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.47 3.82 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 0.00 0.00 0.00 155 K 7.85 4.54 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.50 7.81 156 L 7.29 4.64 0.00 1.59 1.71 0.49 0.92 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 0.00 157 N 8.84 5.06 0.00 2.74 2.71 0.00 0.00 7.07 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 Y 7.77 4.73 0.00 3.19 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 0.00 159 Y 9.23 4.41 0.00 2.81 3.30 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 0.00 160 K 9.57 4.83 0.00 1.86 1.35 0.00 1.77 0.00 0.00 1.32 0.00 0.00 2.67 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.23 0.49 7.81 161 C 8.84 5.11 0.00 2.78 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 0.00 162 F 9.42 5.44 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 9.29 4.51 1.94 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.59 0.00 0.00 164 I 8.46 4.56 2.10 0.00 0.00 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 1.45 0.67 1.31 0.00 0.00 165 G 7.73 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 0.00 0.00 0.00 166 G 8.16 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 S 8.86 4.38 0.00 4.25 4.31 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 0.00 168 V 7.83 3.55 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 1.04 0.00 0.00 0.95 0.00 0.00 169 V 7.76 3.86 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 1.12 0.00 0.00 1.03 0.00 0.00 170 Y 8.14 4.36 0.00 3.08 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 0.00 171 Q 8.70 3.97 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.75 0.00 172 E 8.23 4.14 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.03 0.00 173 F 8.31 4.07 0.00 3.36 3.24 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 0.00 174 L 8.26 4.21 0.00 1.92 1.81 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 175 E 8.11 3.97 0.00 2.07 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 2.36 2.49 0.00 176 K 8.31 4.04 0.00 1.60 1.81 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.62 7.81 177 K 7.78 3.99 0.00 1.96 1.92 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.59 7.81 178 L 8.32 4.61 0.00 2.04 1.92 0.88 0.69 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 0.00 179 I 7.75 4.58 2.10 0.00 0.00 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 1.53 0.99 1.10 0.00 0.00 180 K 9.00 4.33 0.00 1.63 1.50 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.56 1.43 7.81 181 K 8.10 5.23 0.00 2.14 1.53 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.74 7.81 182 I 8.64 5.02 1.93 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 0.51 1.00 0.00 0.00 183 Y 9.51 4.80 0.00 3.14 3.24 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 0.00 184 F 9.47 5.05 0.00 3.18 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 0.00 185 T 8.40 4.74 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 186 R 8.37 4.59 0.00 1.39 0.66 0.00 2.21 0.00 0.00 2.83 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.45 0.00 187 I 8.26 3.76 1.38 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.31 0.39 0.00 0.00 188 N 8.25 5.33 0.00 2.71 2.84 0.00 0.00 7.02 7.24 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 0.00 189 S 7.77 4.68 0.00 3.63 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 0.00 190 T 7.91 5.49 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 1.32 0.00 0.00 191 Y 8.48 4.92 0.00 2.93 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 0.00 192 E 8.98 4.21 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 2.49 2.39 0.00 193 C 8.58 5.05 0.00 3.25 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 0.00 194 D 8.74 4.98 0.00 2.68 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 0.00 195 V 6.84 4.27 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 0.64 0.00 0.00 0.89 0.00 0.00 196 F 8.40 5.49 0.00 3.05 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 0.00 197 F 9.38 4.47 0.00 3.10 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 0.00 198 P 0.00 4.46 0.00 1.88 2.06 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 199 E 8.70 4.38 0.00 1.44 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 2.15 0.00 200 I 8.42 3.93 1.77 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.85 0.00 0.00 201 N 8.84 4.44 0.00 2.79 2.84 0.00 0.00 6.82 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.76 4.47 0.00 2.04 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 2.37 2.41 0.00 203 N 8.52 4.61 0.00 3.01 2.86 0.00 0.00 6.92 7.38 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 0.00 204 E 8.59 4.33 0.00 2.19 1.72 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 2.21 2.22 0.00 205 Y 7.78 5.24 0.00 3.03 2.99 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 0.00 206 Q 8.93 4.96 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 207 I 8.38 4.20 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.69 0.00 0.00 208 I 8.73 4.47 1.88 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 1.36 0.65 0.93 0.00 0.00 209 S 7.65 4.73 0.00 3.77 3.76 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 0.00 0.00 0.00 210 V 8.21 4.70 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 0.76 0.00 0.00 0.84 0.00 0.00 211 S 8.44 4.74 0.00 4.13 4.19 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 0.00 0.00 0.00 0.00 212 D 8.61 4.40 0.00 2.52 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 V 7.56 4.29 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 0.74 0.00 0.00 0.80 0.00 0.00 214 Y 8.89 4.94 0.00 2.86 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 0.00 215 T 8.38 5.18 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 1.22 0.00 0.00 216 S 9.52 4.43 0.00 3.79 3.62 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 0.00 0.00 0.00 217 N 9.68 4.11 0.00 2.87 2.89 0.00 0.00 7.06 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 N 8.18 4.25 0.00 2.92 2.93 0.00 0.00 6.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 T 7.44 4.60 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 1.20 0.00 0.00 220 T 8.52 5.40 4.17 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 1.17 0.00 0.00 221 L 8.19 4.96 0.00 1.38 1.47 0.73 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 222 D 7.59 4.68 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 F 8.77 5.28 0.00 2.78 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 0.00 224 I 9.07 5.00 1.71 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.77 0.00 0.00 225 I 8.38 4.92 1.84 0.00 0.00 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 1.29 0.86 0.64 0.00 0.00 226 Y 8.98 5.11 0.00 2.89 2.99 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 0.00 227 K 9.40 5.14 0.00 1.81 1.67 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.47 7.81 228 K 8.62 3.88 0.00 1.79 1.65 0.00 2.02 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 0.84 7.81 229 T 8.45 4.42 4.21 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 1.25 0.00 0.00 230 N 8.64 4.47 0.00 2.73 2.78 0.00 0.00 7.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 N 8.78 4.48 0.00 2.80 2.74 0.00 0.00 6.84 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 * Residues marked with a * may have inaccurate shift predictions.