NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.1795 7.8827 121.4535 61.2053 38.3561 174.0058 17 V 4.1198 8.3521 126.5398 61.4125 32.3287 174.1163 18 G 3.8616 8.7349 117.1871 45.7233 0.0000 172.2403 19 G 3.8946 8.4731 112.0153 45.0390 0.0000 172.3939 20 Q 4.5225 7.7485 116.5610 54.2253 31.3169 174.9596 21 E 4.4381 8.4401 120.9207 55.9224 30.8640 176.5811 22 C 4.5914 8.5652 123.6491 56.4716 37.8083 174.0298 23 K 4.2680 10.0435 125.2292 55.0433 32.7730 175.9328 24 D 4.3399 8.3884 119.2983 55.9629 41.0466 177.6082 25 G 3.9057 8.7975 114.4986 45.7297 0.0000 174.1203 26 E 3.8468 8.3463 119.4419 58.7736 30.1755 176.8987 27 C 4.1173 7.2227 114.1866 54.7241 40.1449 173.2242 28 P 4.1964 0.0000 0.0000 63.8224 31.6900 178.2491 29 W 5.0896 6.0071 114.5472 55.6672 29.0942 175.5879 30 Q 4.5459 7.5696 122.3837 56.4801 29.7385 174.7232 31 A 5.1225 8.9872 126.7277 50.0520 23.0818 174.4084 32 L 5.1292 9.1588 122.7599 53.2121 45.3593 175.2484 33 L 5.0927 8.5707 126.9699 53.8196 43.1919 175.7514 34 I 5.9393 9.5845 117.2718 58.2983 40.9968 175.6969 35 N 5.4590 8.9062 122.0946 51.6779 39.3553 175.1975 36 E 3.9440 8.7079 115.1750 59.7125 29.5399 177.5452 37 E 4.2252 8.3205 116.0813 56.0993 29.3298 176.0651 38 N 4.3252 8.2203 114.9634 54.1819 36.9140 173.6570 39 E 4.3318 8.8730 119.1575 55.1075 30.3550 176.2596 40 G 3.9204 8.6877 113.8806 45.4942 0.0000 172.7822 41 F 5.0237 8.6405 119.3985 57.1784 40.6603 174.1412 42 C 4.8018 6.6901 115.3009 56.4077 45.1007 172.6446 43 G 4.5050 9.0063 109.1884 45.2365 0.0000 172.3337 44 G 4.4777 8.5054 105.2894 45.6066 0.0000 172.5103 45 T 5.3374 8.7640 116.5248 61.4730 72.1479 173.8552 46 I 4.3068 9.0770 128.0482 61.4533 37.5774 176.7968 47 L 4.4284 8.9088 127.5315 55.6494 42.8813 176.0412 48 S 4.8480 7.5664 111.2754 57.7265 65.1682 176.1004 49 E 3.7338 8.8584 117.3189 58.5171 29.3854 178.1655 50 F 4.1381 7.9741 116.7210 57.1955 41.0921 174.4144 51 Y 5.5092 8.0151 118.3746 56.1278 41.4140 174.7717 52 I 5.1408 8.9743 123.3221 59.4985 41.0543 174.0523 53 L 5.1784 9.0210 128.3484 54.0219 44.2284 175.2857 54 T 5.3353 9.0520 119.7410 61.1503 71.7992 171.3864 55 A 4.8800 8.3677 122.6451 50.3836 20.6666 178.3509 56 A 3.6702 8.3887 125.0935 55.4477 18.4226 179.6030 57 H 3.6419 7.6137 110.6398 57.5414 28.5288 176.4652 58 C 4.3297 7.7164 118.0956 59.1477 40.2822 174.4715 59 L 4.5469 8.1002 119.4539 55.0526 41.0174 176.9596 60 Y 4.5344 7.7791 116.8077 57.9604 39.9695 176.1592 61 Q 4.2757 7.5491 121.3029 55.4010 28.7965 174.2390 61A A 3.9937 7.0240 117.4573 51.6430 20.8548 175.0131 62 K 4.2248 7.8593 118.5476 55.9178 34.2158 175.1133 63 R 4.7402 7.6551 119.4693 54.4131 32.2624 175.4436 64 F 5.3935 8.2154 118.4045 55.6972 41.2003 173.3995 65 K 4.7361 9.3728 118.9954 54.5703 36.3975 175.3673 66 V 4.7685 8.3249 122.2811 60.4413 33.6721 174.6633 67 R 5.0984 9.5737 126.0051 54.7022 32.6609 174.9143 68 V 4.6327 8.3771 117.7835 60.2077 36.3780 176.3241 69 G 3.9638 8.8585 108.0381 46.1503 0.0000 172.6399 70 D 4.9779 7.9796 118.0456 52.5808 42.8695 176.0438 71 R 4.7364 9.8893 122.3241 55.7377 33.2317 174.5443 72 N 5.2435 9.0151 119.2012 52.0937 40.8221 174.3091 73 T 4.5888 8.8651 122.1873 59.1192 66.1622 174.5257 74 E 5.2993 7.6352 123.7432 56.9698 32.5915 177.6679 75 Q 4.2112 8.1325 118.8988 54.1369 31.1899 174.2450 76 E 4.2069 8.7358 125.0470 56.5488 28.0762 176.4512 77 E 4.0685 10.2574 125.3335 56.9960 29.9356 177.3238 78 G 4.2635 8.5954 108.7749 45.5604 0.0000 174.7886 79 G 3.8517 7.3671 104.1388 45.6636 0.0000 173.2502 80 E 4.6050 7.8592 119.4064 56.0698 31.1488 175.7219 81 A 4.4047 8.1716 118.2653 51.4487 23.0591 175.5935 82 V 4.7407 8.5537 121.5687 61.4907 34.0181 174.6096 83 H 4.9494 9.1378 123.3796 54.1140 32.8411 172.8528 84 E 4.6148 8.7040 121.1019 55.5133 31.8040 175.0390 85 V 4.3186 7.9144 121.5949 62.1536 32.1793 175.1019 86 E 4.3304 9.0712 130.2471 58.3867 30.1735 176.8716 87 V 4.6285 7.5279 118.2604 59.9367 34.9849 173.5583 88 V 4.7055 8.5633 124.2727 60.2744 33.2655 175.5265 89 I 4.3625 9.2825 127.4532 59.6606 37.7314 174.6247 90 K 4.7337 8.5414 128.0833 55.5639 33.9176 175.2642 91 H 4.6293 8.4445 124.8403 55.8498 30.3163 175.4002 92 N 4.3339 9.2827 124.0146 56.8100 38.4470 176.7048 93 R 3.6870 7.9066 113.9717 57.6315 30.1357 176.7416 94 F 5.1698 8.1436 121.1235 57.6225 40.0230 174.4851 95 T 4.0402 6.9414 116.5836 59.3153 71.4477 174.9057 96 K 3.3915 7.8997 123.4754 58.7778 32.9615 177.6583 97 E 4.1109 7.7644 116.5022 57.6831 30.0268 177.1442 98 T 4.2462 7.0042 106.5866 60.2382 70.4427 173.7602 99 Y 3.3012 7.8967 118.0685 58.7306 36.0104 168.6948 100 D 4.6969 7.7463 119.0340 54.5581 42.2669 176.1110 101 F 3.5675 8.4379 122.7657 58.8289 35.7033 176.1810 102 D 4.4155 8.0095 119.8260 52.9823 39.0917 174.3991 103 I 4.7760 7.0855 120.4811 59.2707 42.1324 172.9587 104 A 5.2819 9.2319 129.1002 50.8333 23.1661 175.0396 105 V 5.0180 9.2235 120.1272 61.1108 34.9548 174.3295 106 L 5.1957 9.3644 126.8727 53.0194 44.7840 175.2786 107 R 4.3526 8.9924 125.3120 54.7056 31.2614 175.4576 108 L 4.5626 8.9478 127.8720 54.5848 41.9644 177.4202 109 K 4.2659 8.9391 125.5203 59.1923 32.4875 177.1491 110 T 4.7900 7.7268 107.4831 58.6271 71.3364 171.7416 111 P 3.6714 0.0000 0.0000 62.6093 32.0899 175.9835 112 I 4.0469 8.5396 126.6664 60.8521 37.7029 175.6954 113 T 3.9571 8.3521 118.5568 60.7669 69.6515 174.5511 114 F 4.9272 8.2736 126.3149 57.1012 39.8217 174.9563 115 R 4.5823 8.6264 121.1329 54.9414 32.1732 173.4445 116 M 4.0270 8.5282 116.7384 57.8338 32.5228 176.7283 117 N 4.1785 8.9672 120.6876 53.4916 37.0048 173.8302 118 V 4.3105 7.9728 118.0117 61.1768 32.9625 173.4527 119 A 4.4036 8.5880 127.9250 49.6326 22.8499 173.6020 120 P 4.9964 0.0000 0.0000 62.4972 32.7706 175.2784 121 A 4.3947 8.4242 122.8579 50.6348 20.5767 177.1392 122 C 4.3199 8.0156 118.3584 59.5702 29.7671 172.9606 123 L 4.8301 8.4318 122.1295 52.8120 42.3423 175.2945 124 P 4.8318 0.0000 0.0000 62.0053 33.3854 175.1691 124A E 4.6368 8.3939 116.7879 54.8537 32.2448 176.4561 125 R 3.8236 8.6299 122.1976 60.2767 29.9430 178.4324 126 D 4.2639 7.9533 117.2833 57.1653 40.9749 178.4465 127 W 4.0320 8.1973 127.9452 60.3948 30.6680 177.3775 128 A 3.6332 8.1595 120.6081 55.3272 17.6314 179.4994 129 E 3.6450 7.9491 115.7010 59.3466 29.5252 179.3348 130 S 4.0569 7.8042 112.4814 60.5966 62.2801 175.1545 131 T 3.9498 7.7225 118.0568 64.6634 69.1764 176.8211 131A L 3.4821 6.3934 120.0190 57.8815 41.6243 178.8564 131B M 2.8830 7.2278 115.2251 56.0022 32.0876 177.1335 132 T 3.8645 6.5164 108.5713 61.5148 69.4641 174.5425 133 Q 4.1589 6.8791 123.3088 55.8937 30.1138 176.1768 134 K 4.1863 8.6476 118.8563 58.9809 32.2894 176.9384 135 T 4.9776 7.6291 105.5307 60.2173 72.6256 172.1658 136 G 4.1494 8.5800 107.6905 44.8133 0.0000 171.2427 137 I 5.2217 9.0730 120.1667 59.2428 40.5839 175.6891 138 V 5.3356 8.6722 125.6021 59.4605 34.6556 174.5101 139 S 4.8429 7.9496 115.2399 57.0638 66.2837 173.1612 140 G 3.9685 7.5866 107.0209 47.3106 0.0000 172.7212 141 F 4.7331 8.3882 116.5104 57.1640 39.9156 176.6338 142 G 3.9956 8.8941 108.7884 45.8733 0.0000 173.4081 143 R 5.0339 8.8470 119.1441 56.2500 30.3307 177.6735 144 T 4.9640 8.5816 110.8101 61.9703 70.0555 173.5922 145 H 4.5337 7.7400 118.5056 55.0725 32.9808 173.4565 *147 E 4.4321 8.4388 120.0024 55.7373 30.9075 176.3303 148 K 4.5008 7.9464 114.6136 55.9356 33.7881 177.2368 149 G 4.0864 7.9078 106.1753 45.9341 0.0000 172.6908 150 R 4.8437 8.4230 115.6730 53.7119 33.1254 175.1225 151 Q 4.2260 8.7091 120.5796 56.6916 29.1532 176.3457 152 S 4.3663 8.5548 121.5329 59.3464 62.8869 173.7708 153 T 4.5650 8.6754 117.9790 61.8045 68.6410 173.9811 154 R 5.2938 7.8266 119.0485 54.2310 33.5409 175.3155 155 L 3.2690 8.3911 125.1483 54.7569 43.1691 175.9474 156 K 5.0463 8.5991 124.9410 54.6693 36.1181 174.7721 157 M 5.3087 8.6964 118.8011 53.8757 35.3419 174.2065 158 L 4.4681 8.4152 120.1883 54.0182 46.3155 173.6043 159 E 4.6151 8.9952 128.0651 55.9768 30.4169 175.7190 160 V 4.1797 8.3502 121.2825 58.6075 34.4140 174.0570 161 P 4.7466 0.0000 0.0000 62.5629 32.6027 175.3612 162 Y 4.2584 8.3309 120.9408 57.9934 38.6202 175.2679 163 V 4.1443 8.0594 123.6169 60.6189 33.3177 174.9279 164 D 4.2832 8.7163 126.2198 54.8422 41.2261 177.4788 165 R 3.9371 8.6326 125.1083 59.7370 29.9378 178.1983 166 N 4.3841 8.2769 116.1426 55.9708 38.6022 176.9263 167 S 4.1316 8.4670 116.2592 62.1079 62.8841 175.9938 168 C 4.0526 7.6191 119.2229 60.0072 44.4037 175.8878 169 K 4.1735 7.7581 118.2882 59.6307 31.5513 179.3853 170 L 4.0034 8.0546 118.2576 57.3071 41.5981 178.8512 171 S 4.5972 8.3700 112.0783 57.5200 63.9996 173.8919 172 S 4.7984 7.5837 118.3950 57.2862 62.9662 174.1958 173 S 4.1593 8.9841 123.6707 59.9592 62.8442 174.0614 174 F 5.1008 7.7485 118.0932 54.9898 42.0747 174.9101 175 I 3.7809 8.4475 123.4537 61.6182 36.6966 176.6281 176 I 4.2148 8.4041 128.1050 60.7030 36.4826 176.2656 177 T 4.3612 8.3566 116.6434 60.3283 69.8575 175.6008 178 Q 4.0031 8.5917 119.3052 59.0318 28.4832 177.0410 179 N 4.6652 8.0118 114.9465 53.1641 38.5481 173.7425 180 M 5.6808 7.7380 117.6214 54.0594 36.7965 174.4387 181 F 4.8965 8.3122 111.8071 56.4050 41.6708 172.8743 182 C 5.2364 8.8813 118.6999 56.7251 36.2812 172.3477 183 A 4.7833 8.7489 122.2506 51.2940 22.3738 175.1822 184 G 3.7571 7.5703 108.1085 44.6573 0.0000 172.6713 185 Y 5.0410 8.1863 119.9217 56.2852 41.9583 175.2662 185A D 4.1825 9.0314 121.3446 57.0178 41.8462 178.0465 185B T 4.1971 7.7825 106.2962 62.4954 70.4574 174.9618 186 K 3.5910 8.0734 121.6137 56.9651 32.6744 177.2610 187 Q 4.4135 8.3258 126.6600 54.7701 27.0305 175.1401 188 E 5.5394 7.2236 116.2770 54.4155 34.4006 175.4355 189 D 4.5093 8.3131 122.7421 54.0825 44.7200 175.0788 190 A 4.5772 8.4966 123.5246 52.1438 20.4274 175.9048 191 C 4.6376 8.9082 116.3943 55.8617 47.9506 172.4339 192 Q 4.2940 8.5588 120.3401 58.1625 28.6340 177.7673 193 G 4.0823 9.0935 112.3011 45.3957 0.0000 174.6040 194 D 4.6515 8.0191 118.1924 55.3468 41.4769 176.7821 195 S 4.5023 7.8889 116.1743 60.0794 63.4024 175.4627 196 G 3.3874 9.7562 112.9091 45.6291 0.0000 173.8956 197 G 4.0788 7.6899 107.3189 45.6059 0.0000 170.8608 198 P 5.1721 0.0000 0.0000 62.2376 33.6190 174.6222 199 H 5.2607 9.1293 121.3826 54.7541 32.4811 172.5752 200 V 5.0241 9.2383 119.1044 59.8632 35.7141 174.7761 201 T 4.9107 8.8466 119.7739 61.8361 71.3485 173.3469 202 R 4.2015 8.5395 126.1185 55.2568 31.7923 175.7758 203 F 4.4475 9.0520 128.3047 57.6817 41.7934 174.3708 204 K 3.7147 8.8451 130.0006 57.9591 29.2843 174.7922 205 D 4.4888 8.0841 109.9641 55.5285 38.9029 174.2632 206 T 4.6810 7.6109 114.1684 62.0012 72.1131 172.5375 207 Y 4.8778 8.3221 122.9854 56.3849 40.4509 174.5340 208 F 5.0541 8.7898 121.3190 55.2316 42.8182 174.8750 209 V 4.0968 8.8747 124.1499 63.5893 31.5055 175.7944 210 T 4.7328 9.2838 115.2265 61.4645 71.1925 173.4381 211 G 4.8776 8.0417 107.0010 46.5391 0.0000 172.0307 212 I 5.1562 8.1846 121.3835 58.9516 40.2979 175.2243 213 V 3.2992 8.6381 126.9072 63.7100 31.6852 174.6579 214 S 5.0716 8.4547 122.4503 58.6564 63.5564 174.8841 215 W 5.0369 7.6740 114.5898 56.3827 31.8851 172.5692 216 G 4.0478 8.4983 105.6244 46.6747 0.0000 173.8185 217 E 4.5327 9.1839 120.9973 55.5193 28.9655 177.4835 218 G 3.6662 8.1732 113.8715 44.4556 0.0000 170.7726 218 C 4.2562 8.1632 123.6715 57.5556 25.1938 170.4726 221 A 3.8198 8.8599 126.9399 52.9191 16.7237 177.2448 222 R 4.1033 7.7201 117.2851 57.0918 30.8743 176.7529 223 K 4.9097 7.8474 121.0834 57.6441 32.4059 177.6562 223A G 3.8435 8.8777 111.5452 45.2060 0.0000 173.3226 224 K 4.4299 7.5910 118.2922 54.4864 34.8987 174.8977 225 Y 4.8367 8.1319 119.0169 55.8196 41.6992 175.3523 226 G 3.7140 8.6237 107.9671 46.1242 0.0000 172.8836 227 I 4.1905 8.0374 125.7216 59.5820 39.0123 174.4366 228 Y 4.8087 7.9747 124.9517 56.1147 40.9981 175.4737 229 T 4.5173 8.7816 119.5015 63.3392 70.2012 174.5226 230 K 4.5829 9.1547 127.6454 55.6935 32.0261 177.5190 231 V 3.8494 8.4676 127.9285 66.1961 31.3906 177.6568 232 T 3.9373 8.0112 107.5356 64.1466 68.4425 174.8978 233 A 4.2394 7.2239 121.7071 52.0236 18.9305 177.3235 234 F 5.0792 8.0259 114.6005 56.4906 41.1503 176.3430 235 L 4.0297 7.8985 120.5090 58.7726 41.2458 179.1101 236 K 3.9918 8.2618 117.6323 59.6764 32.1475 179.1604 237 W 4.1165 8.2904 128.0186 60.5571 30.8445 177.9558 238 I 3.8030 8.8935 120.3409 64.6039 36.4057 178.2059 239 D 4.2728 8.4752 120.0258 57.3079 40.4222 178.8061 240 R 3.7789 7.6944 118.2881 59.3250 30.3021 178.4350 241 S 3.9662 7.5385 115.0826 61.2561 62.5208 176.3964 242 M 2.8961 7.3060 120.7189 57.7021 31.7317 177.2482 243 K 4.1232 7.5343 115.8972 55.6729 32.0950 174.6690 244 T 3.2802 7.9520 120.8670 64.2478 66.4083 172.1510 245 R 4.0491 8.0507 124.7091 56.9462 30.0643 174.1141 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 16 I 7.88 4.18 1.86 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 1.28 1.07 0.96 0.00 0.00 17 V 8.35 4.12 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 1.11 0.00 0.00 0.92 0.00 0.00 18 G 8.73 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 19 G 8.47 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.75 4.52 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 21 E 8.44 4.44 0.00 1.96 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 0.00 2.23 2.30 0.00 22 C 8.57 4.59 0.00 2.89 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 23 K 10.04 4.27 0.00 1.90 1.67 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.49 7.81 24 D 8.39 4.34 0.00 2.60 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 G 8.80 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 26 E 8.35 3.85 0.00 1.83 1.86 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 2.26 2.26 0.00 27 C 7.22 4.12 0.00 2.63 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 28 P 0.00 4.20 0.00 2.00 1.95 0.00 2.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.29 0.00 29 W 6.01 5.09 0.00 3.54 3.67 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 30 Q 7.57 4.55 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 31 A 8.99 5.12 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 32 L 9.16 5.13 0.00 1.81 1.50 1.11 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.57 5.09 0.00 0.38 1.16 0.56 0.77 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 34 I 9.58 5.94 1.97 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 1.26 0.54 0.91 0.00 0.00 35 N 8.91 5.46 0.00 3.03 2.91 0.00 0.00 5.96 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 36 E 8.71 3.94 0.00 2.11 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 2.29 2.29 0.00 37 E 8.32 4.23 0.00 2.19 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 2.37 2.40 0.00 38 N 8.22 4.33 0.00 2.87 2.90 0.00 0.00 6.89 8.40 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 39 E 8.87 4.33 0.00 2.15 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 2.32 2.41 0.00 40 G 8.69 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.64 5.02 0.00 3.14 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 42 C 6.69 4.80 0.00 2.08 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 9.01 4.51 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 0.00 44 G 8.51 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.76 5.34 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 46 I 9.08 4.31 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 1.08 0.00 0.00 47 L 8.91 4.43 0.00 1.87 1.82 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 48 S 7.57 4.85 0.00 4.19 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 0.00 49 E 8.86 3.73 0.00 1.76 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 2.34 1.79 0.00 50 F 7.97 4.14 0.00 3.09 2.47 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 51 Y 8.02 5.51 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.97 5.14 2.01 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 1.21 1.03 1.03 0.00 0.00 53 L 9.02 5.18 0.00 1.87 1.63 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.05 5.34 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 1.30 0.00 0.00 55 A 8.37 4.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.39 3.67 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.61 3.64 0.00 2.96 3.04 0.00 5.26 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.72 4.33 0.00 3.15 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.10 4.55 0.00 1.90 1.77 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.78 4.53 0.00 2.98 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 61 Q 7.55 4.28 0.00 2.13 2.17 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 2.47 2.33 0.00 61A A 7.02 3.99 0.22 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 62 K 7.86 4.22 0.00 1.67 1.67 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.38 7.81 63 R 7.66 4.74 0.00 1.80 1.96 0.00 3.28 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 64 F 8.22 5.39 0.00 3.67 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 65 K 9.37 4.74 0.00 1.72 1.90 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.34 7.81 66 V 8.32 4.77 2.21 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 0.74 0.00 0.00 1.00 0.00 0.00 67 R 9.57 5.10 0.00 1.81 1.89 0.00 3.02 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 68 V 8.38 4.63 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 0.85 0.00 0.00 1.04 0.00 0.00 69 G 8.86 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 0.00 0.00 0.00 70 D 7.98 4.98 0.00 2.67 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 71 R 9.89 4.74 0.00 1.83 1.87 0.00 3.29 0.00 0.00 3.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 72 N 9.02 5.24 0.00 2.80 2.82 0.00 0.00 6.84 7.28 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 73 T 8.87 4.59 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 74 E 7.64 5.30 0.00 2.21 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 2.36 2.05 0.00 75 Q 8.13 4.21 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.19 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 76 E 8.74 4.21 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 77 E 10.26 4.07 0.00 1.85 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 2.36 2.61 0.00 78 G 8.60 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 0.00 0.00 0.00 79 G 7.37 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 80 E 7.86 4.61 0.00 1.85 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 2.31 2.57 0.00 81 A 8.17 4.40 1.21 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 0.00 0.00 82 V 8.55 4.74 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 0.85 0.00 0.00 0.93 0.00 0.00 83 H 9.14 4.95 0.00 3.20 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.70 4.61 0.00 1.89 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 0.00 2.31 2.26 0.00 85 V 7.91 4.32 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 0.73 0.00 0.00 0.62 0.00 0.00 86 E 9.07 4.33 0.00 2.00 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 2.26 2.22 0.00 87 V 7.53 4.63 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 0.89 0.00 0.00 0.96 0.00 0.00 88 V 8.56 4.71 2.26 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 0.83 0.00 0.00 1.08 0.00 0.00 89 I 9.28 4.36 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 0.78 0.00 0.00 90 K 8.54 4.73 0.00 1.90 1.84 0.00 2.11 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.50 7.81 91 H 8.44 4.63 0.00 2.92 2.99 0.00 5.66 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.28 4.33 0.00 2.71 2.91 0.00 0.00 7.15 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 93 R 7.91 3.69 0.00 0.67 0.66 0.00 3.09 0.00 0.00 2.98 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.00 94 F 8.14 5.17 0.00 3.15 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 95 T 6.94 4.04 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 1.03 0.00 0.00 96 K 7.90 3.39 0.00 1.74 1.65 0.00 1.25 0.00 0.00 1.19 0.00 0.00 2.78 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.22 1.28 7.81 97 E 7.76 4.11 0.00 1.99 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 2.12 2.14 0.00 98 T 7.00 4.25 4.20 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 1.14 0.00 0.00 99 Y 7.90 3.30 0.00 2.55 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 0.00 100 D 7.75 4.70 0.00 2.83 2.76 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 0.00 101 F 8.44 3.57 0.00 3.20 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 0.00 102 D 8.01 4.42 0.00 3.03 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 0.00 103 I 7.09 4.78 1.50 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 1.20 1.10 -0.23 0.00 0.00 104 A 9.23 5.28 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 0.00 105 V 9.22 5.02 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 1.14 0.00 0.00 1.11 0.00 0.00 106 L 9.36 5.20 0.00 1.70 1.64 1.17 1.02 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 0.00 107 R 8.99 4.35 0.00 1.92 1.97 0.00 2.26 0.00 0.00 2.94 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 108 L 8.95 4.56 0.00 1.68 1.75 0.79 1.16 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 0.00 109 K 8.94 4.27 0.00 1.89 1.86 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.53 7.81 110 T 7.73 4.79 4.20 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 1.21 0.00 0.00 111 P 0.00 3.67 0.00 1.61 1.33 0.00 3.53 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.23 0.00 112 I 8.54 4.05 1.89 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 0.95 0.42 1.06 0.00 0.00 113 T 8.35 3.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 114 F 8.27 4.93 0.00 3.06 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 0.00 115 R 8.63 4.58 0.00 1.95 2.05 0.00 3.07 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 116 M 8.53 4.03 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 117 N 8.97 4.18 0.00 2.97 2.90 0.00 0.00 6.52 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 0.00 118 V 7.97 4.31 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 1.19 0.00 0.00 1.03 0.00 0.00 119 A 8.59 4.40 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 5.00 0.00 2.05 1.93 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 121 A 8.42 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 8.02 4.32 0.00 2.41 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.43 4.83 0.00 1.71 1.70 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.83 0.00 2.26 2.19 0.00 3.89 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 124A E 8.39 4.64 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 125 R 8.63 3.82 0.00 1.87 1.92 0.00 3.14 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 126 D 7.95 4.26 0.00 2.77 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 0.00 127 W 8.20 4.03 0.00 3.22 3.09 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 0.00 128 A 8.16 3.63 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 0.00 129 E 7.95 3.64 0.00 1.77 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 2.18 2.43 0.00 130 S 7.80 4.06 0.00 3.71 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 0.00 131 T 7.72 3.95 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 0.38 0.00 0.00 131A L 6.39 3.48 0.00 1.26 1.39 -0.52 0.72 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 131B M 7.23 2.88 0.00 1.05 1.53 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.96 0.00 132 T 6.52 3.86 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 0.98 0.00 0.00 133 Q 6.88 4.16 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.02 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 134 K 8.65 4.19 0.00 1.85 1.86 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.38 7.81 135 T 7.63 4.98 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 1.20 0.00 0.00 136 G 8.58 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 0.00 0.00 0.00 137 I 9.07 5.22 1.99 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 1.43 1.33 1.01 0.00 0.00 138 V 8.67 5.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.17 0.00 0.00 139 S 7.95 4.84 0.00 3.95 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.59 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.39 4.73 0.00 2.96 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 0.00 142 G 8.89 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 0.00 143 R 8.85 5.03 0.00 1.75 2.10 0.00 3.17 0.00 0.00 3.18 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.48 0.00 144 T 8.58 4.96 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 1.24 0.00 0.00 145 H 7.74 4.53 0.00 3.24 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 E 8.44 4.43 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 2.22 2.37 0.00 148 K 7.95 4.50 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.41 7.81 149 G 7.91 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 0.00 0.00 0.00 150 R 8.42 4.84 0.00 1.90 2.07 0.00 3.01 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 151 Q 8.71 4.23 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.72 0.00 152 S 8.55 4.37 0.00 4.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.68 4.56 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 154 R 7.83 5.29 0.00 1.75 1.79 0.00 3.41 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 155 L 8.39 3.27 0.00 0.66 1.18 0.45 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.60 5.05 0.00 1.65 1.69 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.46 7.81 157 M 8.70 5.31 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 158 L 8.42 4.47 0.00 1.76 1.54 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.00 4.62 0.00 2.07 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 2.31 2.35 0.00 160 V 8.35 4.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.72 0.00 0.00 161 P 0.00 4.75 0.00 1.97 1.88 0.00 2.68 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.99 0.00 162 Y 8.33 4.26 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 0.00 163 V 8.06 4.14 1.77 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 -0.26 0.00 0.00 0.46 0.00 0.00 164 D 8.72 4.28 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 R 8.63 3.94 0.00 1.88 1.88 0.00 3.21 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 166 N 8.28 4.38 0.00 2.97 2.81 0.00 0.00 7.12 7.57 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 0.00 167 S 8.47 4.13 0.00 3.83 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 7.62 4.05 0.00 3.02 3.34 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 0.00 169 K 7.76 4.17 0.00 2.03 1.88 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.65 7.81 170 L 8.05 4.00 0.00 1.82 1.79 0.94 1.20 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 0.00 171 S 8.37 4.60 0.00 4.31 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 7.58 4.80 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 S 8.98 4.16 0.00 3.20 3.33 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 0.00 174 F 7.75 5.10 0.00 3.01 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 0.00 175 I 8.45 3.78 1.95 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 1.48 0.55 0.98 0.00 0.00 176 I 8.40 4.21 1.97 0.00 0.00 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 1.64 0.83 0.99 0.00 0.00 177 T 8.36 4.36 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 1.35 0.00 0.00 178 Q 8.59 4.00 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.50 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 179 N 8.01 4.67 0.00 2.86 2.99 0.00 0.00 6.60 7.08 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 0.00 180 M 7.74 5.68 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 181 F 8.31 4.90 0.00 3.08 3.09 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 0.00 182 C 8.88 5.24 0.00 2.76 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 0.00 183 A 8.75 4.78 0.97 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 0.00 184 G 7.57 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 0.00 0.00 0.00 185 Y 8.19 5.04 0.00 3.11 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185A D 9.03 4.18 0.00 2.83 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 185B T 7.78 4.20 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 1.21 0.00 0.00 186 K 8.07 3.59 0.00 1.41 1.30 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.06 1.20 7.81 187 Q 8.33 4.41 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 188 E 7.22 5.54 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 2.32 2.07 0.00 189 D 8.31 4.51 0.00 2.87 2.60 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 0.00 190 A 8.50 4.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 C 8.91 4.64 0.00 2.96 3.09 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 0.00 192 Q 8.56 4.29 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.27 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 193 G 9.09 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 0.00 0.00 0.00 194 D 8.02 4.65 0.00 2.96 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 0.00 195 S 7.89 4.50 0.00 3.92 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 0.00 196 G 9.76 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 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 0.00 0.00 0.00 198 P 0.00 5.17 0.00 2.28 2.33 0.00 3.73 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 199 H 9.13 5.26 0.00 3.27 3.42 0.00 5.52 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 V 9.24 5.02 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 0.40 0.00 0.00 1.12 0.00 0.00 201 T 8.85 4.91 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 1.40 0.00 0.00 202 R 8.54 4.20 0.00 1.43 1.70 0.00 3.27 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.00 203 F 9.05 4.45 0.00 3.16 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 0.00 204 K 8.85 3.71 0.00 1.76 1.75 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.11 0.70 7.81 205 D 8.08 4.49 0.00 2.83 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 0.00 206 T 7.61 4.68 4.57 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 0.89 0.00 0.00 207 Y 8.32 4.88 0.00 2.06 2.26 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 0.00 208 F 8.79 5.05 0.00 2.97 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 0.00 209 V 8.87 4.10 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 0.84 0.00 0.00 0.98 0.00 0.00 210 T 9.28 4.73 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 1.23 0.00 0.00 211 G 8.04 4.88 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 0.00 212 I 8.18 5.16 1.95 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 1.34 0.84 1.04 0.00 0.00 213 V 8.64 3.30 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.08 0.00 0.00 214 S 8.45 5.07 0.00 3.96 3.93 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 0.00 215 W 7.67 5.04 0.00 3.26 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 0.00 216 G 8.50 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 0.00 217 E 9.18 4.53 0.00 2.03 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 2.51 2.63 0.00 218 G 8.17 3.67 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 0.00 0.00 0.00 218 C 8.16 4.26 0.00 2.86 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 0.00 221 A 8.86 3.82 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 R 7.72 4.10 0.00 1.85 1.82 0.00 3.30 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 223 K 7.85 4.91 0.00 1.71 1.71 0.00 1.83 0.00 0.00 2.35 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.38 7.81 223A G 8.88 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 0.00 224 K 7.59 4.43 0.00 1.78 1.61 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 225 Y 8.13 4.84 0.00 2.79 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 0.00 226 G 8.62 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 0.00 0.00 0.00 227 I 8.04 4.19 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.36 0.23 0.00 0.00 228 Y 7.97 4.81 0.00 1.53 2.54 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 0.00 0.00 0.00 0.00 229 T 8.78 4.52 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 1.44 0.00 0.00 230 K 9.15 4.58 0.00 1.97 1.68 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.47 7.81 231 V 8.47 3.85 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 1.13 0.00 0.00 1.12 0.00 0.00 232 T 8.01 3.94 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 1.13 0.00 0.00 233 A 7.22 4.24 0.69 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 0.00 0.00 234 F 8.03 5.08 0.00 3.18 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 0.00 235 L 7.90 4.03 0.00 1.79 1.76 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 236 K 8.26 3.99 0.00 1.92 1.98 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.59 7.81 237 W 8.29 4.12 0.00 3.62 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 0.00 238 I 8.89 3.80 2.20 0.00 0.00 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 1.96 1.27 0.98 0.00 0.00 239 D 8.48 4.27 0.00 2.82 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 0.00 240 R 7.69 3.78 0.00 1.88 1.80 0.00 3.12 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 241 S 7.54 3.97 0.00 3.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 M 7.31 2.90 0.00 1.71 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 243 K 7.53 4.12 0.00 1.64 1.79 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.50 7.81 244 T 7.95 3.28 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 1.20 0.00 0.00 245 R 8.05 4.05 0.00 1.62 1.76 0.00 3.22 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.