NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2740 8.2027 119.6888 55.2740 30.7337 173.5028 2 V 4.2054 7.4652 118.9827 61.3112 32.5235 173.5443 3 Q 4.7121 9.6764 128.4780 55.0633 33.4779 172.2198 4 L 5.2334 8.6575 125.2228 53.0624 45.1485 175.6525 5 Q 4.7742 8.9126 122.9043 54.4151 31.4328 174.4495 6 Q 5.2690 8.7540 123.8591 53.5850 30.8883 175.9184 7 S 4.4270 8.8845 119.1494 58.3867 63.6083 174.6570 8 G 3.8597 8.8480 112.5233 48.8316 0.0000 172.8342 9 S 5.3200 7.8651 115.0379 55.9620 66.4010 172.4666 10 E 4.6813 8.9694 121.2072 55.1232 33.2181 173.2632 11 L 5.2168 8.6295 129.1178 53.5631 44.1998 175.5269 12 V 4.6216 8.4667 123.7948 60.5491 35.4562 173.5343 13 R 4.8317 8.4636 120.7067 54.2755 31.9723 174.3268 14 P 4.5434 0.0000 0.0000 64.6759 31.7775 176.5408 15 G 3.9354 9.3701 111.0964 45.4766 0.0000 173.7249 16 A 4.3223 7.6349 122.0068 51.6176 20.0735 175.5915 17 S 5.3983 8.4118 111.3281 56.1375 66.9917 173.9753 18 V 4.4564 8.4549 118.8290 60.4028 34.9574 173.5436 19 K 4.7523 8.4717 123.4721 54.8056 33.9162 175.2434 20 L 4.7599 9.1508 129.3165 54.0303 43.3924 176.2092 21 S 5.8117 8.6899 115.1503 56.2130 66.9030 174.6399 22 C 4.6425 8.4964 120.7948 56.1102 45.6692 172.5737 23 K 4.6641 8.9344 127.5486 54.8360 32.1071 175.3502 24 A 5.1516 8.3658 127.0744 51.3401 19.9262 176.3725 25 S 4.3192 9.5453 115.7104 57.7329 67.2360 175.0107 26 G 4.3604 10.6053 106.1798 46.5097 0.0000 172.1171 27 Y 4.4758 6.8400 115.5513 56.4089 40.2755 174.9169 28 T 4.0128 8.0903 116.9303 62.0328 67.5406 175.5028 29 F 3.5445 7.9890 128.7444 61.3084 39.7867 178.0240 30 T 3.7425 8.0591 116.7028 66.1211 68.5731 175.7258 31 T 4.5016 8.1237 110.1759 62.0244 69.8661 173.5697 32 Y 6.1210 7.3076 118.3424 55.2746 40.3407 175.9385 33 W 4.6113 9.1109 122.2047 56.8680 31.1260 174.9766 34 I 5.0101 9.0775 123.4208 59.9899 39.7258 174.3923 35 H 5.4134 9.4946 123.8435 53.9203 31.7726 173.5112 36 W 5.3013 8.9573 121.3010 55.0666 32.4656 175.0052 37 V 4.8639 9.2865 122.4674 61.2384 35.0526 173.6609 38 K 4.6393 9.3757 129.0609 54.9531 34.4130 174.9149 39 Q 4.7722 9.1975 127.9625 54.3849 31.9612 173.8746 40 R 4.4357 8.5390 126.3645 54.8299 31.5426 174.6760 41 P 4.2935 0.0000 0.0000 64.4128 31.8229 176.1708 42 G 3.9971 8.9873 108.7367 46.3030 0.0000 173.0099 43 Q 4.6564 8.1222 116.7582 53.4426 33.0685 176.9314 44 G 3.9186 8.3601 108.5079 45.4911 0.0000 173.0400 45 L 4.7337 8.2629 119.4748 53.6336 43.5091 175.5051 46 E 4.7830 8.8158 121.6684 54.0955 32.7190 174.4529 47 W 4.4489 9.2098 135.0000 57.9800 31.2637 175.0532 48 I 3.2136 8.1612 127.9670 60.9602 38.3035 176.1443 49 G 3.4903 5.3800 111.1033 45.9374 0.0000 170.9983 50 T 5.3563 8.1464 115.2191 60.0571 71.4137 172.4411 51 I 5.1453 9.2130 125.9117 59.5330 41.9850 173.6632 52 Y 4.0768 8.4109 130.1824 55.0362 38.5089 173.9836 52A P 3.9379 0.0000 0.0000 65.1014 31.6065 177.5082 53 G 3.1501 6.3298 105.9806 46.2149 0.0000 173.6799 54 S 3.3654 8.7543 121.4066 62.7194 60.2904 172.6788 55 D 4.4964 6.9487 118.6071 54.7912 39.3538 172.5080 56 N 5.4233 8.0170 122.1957 51.6147 42.7605 174.7241 57 T 5.4098 8.3732 110.0219 60.6547 72.3576 172.4469 58 Y 4.9213 8.9876 119.9010 56.7414 41.4058 174.7065 59 Y 4.9712 9.1230 121.0178 56.5596 41.1036 174.1589 60 D 5.0801 8.9669 120.7050 53.7439 42.8401 177.3022 61 E 3.9003 8.9253 127.3030 59.3731 30.5493 179.2626 62 K 3.8658 8.4851 116.8062 58.8298 32.4251 177.7450 63 F 4.7692 8.8571 116.7050 56.9763 39.4535 177.0778 64 K 3.7594 8.2751 124.9407 59.2838 31.7214 177.3296 65 N 4.9408 7.8783 111.1366 52.4042 38.0758 175.3498 66 K 4.0169 8.2041 119.6190 59.4170 32.5523 176.2693 67 A 5.0851 7.5642 118.5624 50.5003 21.2333 176.0647 68 T 4.8325 8.7396 116.9533 61.7453 72.9114 172.9693 69 L 5.4066 9.4218 125.8164 53.2449 44.4279 176.1064 70 T 4.8482 9.1838 112.6630 60.5533 72.6773 173.7923 71 V 4.4441 8.4138 116.7106 60.6940 34.3556 175.8033 72 D 4.6533 9.0014 120.9987 53.0834 42.1490 175.5980 73 T 3.8867 8.7159 115.4009 64.4329 68.7847 176.0774 74 S 4.0845 8.0243 115.6141 61.2240 62.8264 175.3394 75 S 4.1024 7.9391 114.5100 57.3396 64.1165 173.6979 76 S 2.0000 7.4377 117.9835 59.6741 60.7354 171.5470 77 T 4.8684 6.7503 108.2560 59.6722 72.5720 173.8457 78 A 5.2345 8.6179 125.2132 50.3472 21.9550 175.5334 79 F 5.8297 9.8854 120.0384 55.9996 43.3358 173.9868 80 M 4.7246 9.0606 121.6817 53.7042 35.1281 173.6683 81 Q 4.6991 9.2381 128.3899 55.0306 30.9463 174.0849 82 L 4.7370 9.3890 127.2495 54.7885 44.2027 175.1405 82A S 4.0521 8.8499 119.8980 59.5859 62.6345 175.1357 82B S 5.0230 8.4831 119.6161 56.7269 62.5650 174.0136 82C L 4.3970 9.1136 122.8599 55.4527 43.0373 176.9824 83 T 4.7955 8.9961 112.7760 59.4157 72.4170 174.8091 84 S 4.0612 8.8938 115.6122 61.6953 62.1680 176.2304 85 E 4.0755 7.5827 116.9302 59.0198 29.1916 177.5528 86 D 4.6850 7.9674 116.7696 54.8069 41.2862 176.4213 87 S 5.0665 8.2140 115.9188 58.9416 63.0009 173.3338 88 A 4.5155 8.4433 125.2566 50.8543 22.9166 174.5510 89 V 4.3675 8.4762 119.6157 62.3391 33.4851 174.4488 90 Y 5.1744 8.9658 124.9453 56.3950 40.8107 174.5112 91 F 5.6034 9.5030 123.7842 55.8667 42.0421 172.4837 92 C 4.8168 8.7183 116.2964 53.9079 40.0552 172.4329 93 T 4.7412 8.4860 114.2928 60.4694 71.1343 172.2578 94 R 4.6928 8.7061 127.3139 55.5550 31.6269 174.3379 95 G 4.2735 9.4594 112.6232 47.2347 0.0000 177.2979 96 S 4.6034 9.1052 122.9553 56.8073 65.6820 172.0382 97 L 4.2011 8.0039 122.9840 54.4630 41.8248 176.4299 98 Y 3.2671 8.4934 128.1823 56.2155 39.2359 168.4743 99 Y 4.3157 7.6993 118.1373 58.8597 36.7473 175.2233 100 N 3.8564 7.4290 121.4969 52.8618 38.7525 174.1068 100A N 4.5595 7.6774 114.6524 53.4554 39.1385 174.9309 100B Y 4.5598 7.5908 114.3395 58.0059 38.7044 176.8717 100C G 3.6989 7.0739 110.6570 44.6312 0.0000 173.2253 100D W 5.0012 8.1228 121.3272 55.0726 33.3456 174.5358 100E F 4.8320 8.4992 119.5015 57.1721 36.7986 176.2100 101 G 3.8079 9.0227 112.2000 48.7293 0.0000 170.6058 102 Y 5.1647 8.0897 118.5870 55.2531 42.2018 174.0852 103 W 5.2028 9.0173 121.7822 54.5297 32.7116 175.5772 104 G 4.5561 9.1963 111.8045 46.1847 0.0000 173.0137 105 Q 4.7048 9.0565 115.8121 55.7096 29.3695 176.8814 106 G 3.6167 8.6229 103.6516 45.9013 0.0000 172.6308 107 T 4.8941 8.1994 115.9753 60.5931 71.6152 173.3347 108 L 4.6216 9.6234 130.7165 54.3869 43.2540 175.5923 109 V 4.9736 8.9635 128.5389 61.0687 33.2641 174.2832 110 T 4.8963 8.5860 123.1475 60.2414 69.9824 172.5419 111 V 4.9483 8.5980 129.6268 61.0200 32.7303 174.4897 112 S 4.5464 8.4656 120.7292 57.2801 65.1298 173.7450 113 A 4.4208 8.3542 126.3989 51.6139 19.1070 177.5779 114 A 3.8584 7.9383 121.0001 52.2454 18.7547 177.6671 115 K 4.7257 7.9857 119.0691 54.5753 35.4043 175.2380 116 T 4.9335 8.5352 116.8885 64.0376 69.1341 173.0949 117 T 4.7236 8.6118 123.0950 60.7839 71.4478 172.7310 118 P 4.7972 0.0000 0.0000 61.7987 32.3687 174.1480 119 P 4.7729 0.0000 0.0000 62.8868 32.9137 175.9823 120 S 4.4323 8.9308 118.2099 57.0040 64.5266 173.3499 121 V 4.3845 7.9483 125.7204 61.8072 32.3518 174.6057 122 Y 5.1466 8.2803 125.6443 55.5056 41.1551 173.9044 123 P 4.9676 0.0000 0.0000 62.7530 33.4775 176.1337 124 L 4.7412 9.2238 119.2533 53.1371 44.0014 175.3862 125 A 4.9660 8.4463 124.9940 49.3781 21.0124 174.8139 126 P 4.3482 0.0000 0.0000 63.5253 32.4621 176.7918 127 G 4.0549 8.9262 108.3339 45.8364 0.0000 173.6418 128 S 4.5099 8.5467 114.7495 58.1332 63.9564 173.8188 129 N 4.8373 8.1673 118.0410 52.5292 36.8607 173.9830 130 A 4.0535 8.1230 126.5254 50.4935 17.6841 175.2007 125 A 4.9660 8.4463 124.9940 49.3781 21.0124 174.8139 126 S 4.3982 8.4839 114.6707 58.5253 64.1621 174.0918 127 Q 4.4349 8.9162 119.3339 56.4364 27.8538 174.7418 128 S 4.5099 8.5467 114.7495 58.1332 63.9564 173.8188 129 M 4.5773 8.0473 118.9410 54.8292 30.8607 175.0830 130 V 3.8535 7.9130 121.9254 60.1935 31.4841 173.7007 139 T 4.9731 8.4405 123.9085 61.6598 70.8248 173.3828 140 L 4.7989 8.2380 124.9258 54.6887 44.7692 175.1266 141 G 4.6971 8.5527 105.8071 46.3488 0.0000 171.0224 142 C 5.6122 9.5875 116.7618 54.8655 41.0237 173.9250 143 L 4.5226 8.9524 126.3266 55.0705 43.2985 175.8167 144 V 4.3690 9.0249 126.8155 61.0290 32.6511 173.1706 145 K 4.6097 8.9802 128.6050 54.5274 34.4017 175.5956 146 G 3.8300 8.1644 113.5299 46.9976 0.0000 172.4670 147 Y 5.2804 7.5947 116.1156 55.4112 42.4114 175.9635 148 F 5.2507 8.8895 119.7121 57.3215 43.6858 171.9426 149 P 4.4583 0.0000 0.0000 61.1427 33.8636 175.0096 150 E 4.0748 8.4745 118.6022 56.1120 29.8310 174.3848 151 P 4.8569 0.0000 0.0000 61.2208 33.9286 173.6976 152 V 4.5516 7.6992 111.2036 59.7692 34.8610 175.5595 153 T 4.5817 8.7009 111.2637 60.3765 72.3088 172.9449 154 V 5.3735 8.5276 124.9034 60.5540 34.2680 174.4894 *156 T 4.8722 8.1638 116.0644 61.6444 71.1038 172.3513 157 W 4.6697 8.4266 121.1303 54.7059 31.8560 176.2769 *162 N 4.4948 8.5384 123.1749 53.2062 39.5001 175.5951 163 S 4.1933 9.1333 110.8527 59.0607 61.0189 172.5322 164 G 4.0850 8.3291 110.1918 46.1556 0.0000 176.2133 165 S 4.1863 7.6836 116.0642 61.3598 62.8980 174.6941 166 L 4.6411 7.8395 119.8036 53.2713 42.1561 176.4249 167 S 4.4463 8.3523 115.8361 58.3979 65.6156 174.0994 *169 S 4.1379 7.3129 113.8409 59.0409 63.9056 173.5396 170 G 4.0956 8.2819 109.2643 46.5782 0.0000 172.5736 171 V 4.4219 6.8737 118.2834 61.5403 33.2475 174.9003 172 H 4.6786 8.8080 123.4848 54.4014 32.0447 172.4182 173 T 4.9012 8.3724 119.9174 61.9374 70.3947 174.1473 174 F 4.9563 8.7859 123.7545 54.7973 41.8880 173.8799 175 P 4.5381 0.0000 0.0000 62.7282 31.6630 176.5850 176 A 4.6230 8.7216 124.8719 52.3864 19.5093 177.0802 177 V 4.4182 9.0908 112.3121 59.4524 36.1187 175.1707 *180 L 3.8820 8.4254 124.5195 55.0827 42.5901 176.3274 181 Q 4.2566 8.6142 125.8430 54.6408 30.3117 175.3348 182 S 3.5740 9.3413 121.6076 59.5535 60.0078 173.2856 183 D 4.6227 7.9269 117.4610 54.0158 40.3097 174.8715 184 L 4.7360 7.2730 118.1795 52.7968 45.2028 175.9014 185 Y 4.7980 8.3081 119.7421 58.3009 39.7259 174.7551 186 T 5.3233 8.6128 117.4234 62.6027 73.7474 173.1098 187 L 5.0870 8.9413 124.7795 55.2423 44.7965 174.3273 188 T 5.3425 8.4845 107.1234 60.8763 72.6376 172.4938 189 S 5.4630 9.1775 115.9201 56.9191 66.5567 172.8465 190 S 5.4574 9.1268 120.8478 56.8992 66.9343 172.7919 191 V 4.3134 7.7004 115.0854 61.1001 34.5177 172.1020 192 T 4.9864 8.4299 121.7076 62.2695 69.9667 174.1219 193 V 4.4142 8.0278 119.7233 58.6286 34.6357 173.7948 194 P 5.2084 0.0000 0.0000 62.1581 32.7987 176.7790 195 S 4.3390 8.6765 114.8710 61.8998 62.9829 177.0375 196 S 4.0210 8.2158 113.4188 61.5719 62.6853 175.4653 *198 T 4.3881 7.7360 108.5619 60.4812 70.3237 172.7596 199 W 5.2499 7.8944 130.7968 55.6239 33.8262 172.4392 200 P 2.9700 0.0000 0.0000 63.6504 30.3010 177.3207 *202 S 4.4582 7.7708 114.4175 58.1564 64.6918 173.1568 203 Q 4.8641 7.7582 117.8964 53.8308 30.5204 175.5527 204 T 4.2160 8.7036 114.1062 62.0824 70.0900 173.6831 205 V 4.6130 8.8197 122.7982 61.7162 34.2692 174.0594 206 T 5.3988 9.6542 124.6169 60.9209 72.1708 170.9110 *208 C 4.4398 8.4465 118.0944 55.3194 42.8317 171.9695 209 N 5.8672 9.1863 119.3610 50.7867 40.9594 173.7744 210 V 4.6322 8.7119 123.4909 60.9763 34.6299 173.7570 211 A 4.8815 8.8937 130.3740 50.4343 21.7401 174.6073 212 H 4.4622 8.4435 122.5112 53.7274 31.0246 172.7528 213 P 3.8362 0.0000 0.0000 65.5353 31.9910 178.4356 214 A 3.8034 7.5446 122.6930 54.8250 18.5145 178.2822 215 S 4.5190 7.9224 107.4203 57.7467 63.7366 174.2638 216 S 3.7901 8.4946 116.6077 59.9027 60.9474 171.6188 217 T 4.6735 7.1798 109.2656 60.3448 71.7342 173.2931 218 K 4.6257 7.9809 119.9275 55.8570 35.0169 174.3646 219 V 4.5608 8.4840 127.1968 61.1211 35.4308 173.6942 220 D 5.3375 8.4992 123.7922 52.2900 44.5674 174.9021 221 K 4.5790 8.5821 122.8726 54.1429 35.0515 175.1758 222 K 4.2658 8.7220 129.6153 56.2035 33.0792 176.2969 223 I 4.2379 8.6637 128.8277 60.3799 37.7914 175.4340 *226 V 4.4498 8.0269 119.2674 60.3048 32.6861 174.3294 227 P 4.6784 0.0000 0.0000 62.9399 31.8873 176.6475 228 R 4.1832 8.5488 117.7825 56.7361 30.0497 176.7912 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 Q 8.20 4.27 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 2 V 7.47 4.21 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 0.09 0.00 0.00 0.53 0.00 0.00 3 Q 9.68 4.71 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 4 L 8.66 5.23 0.00 1.57 1.54 0.98 0.99 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 5 Q 8.91 4.77 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 6 Q 8.75 5.27 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.55 2.31 0.00 7 S 8.88 4.43 0.00 4.05 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 8 G 8.85 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 9 S 7.87 5.32 0.00 3.89 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 10 E 8.97 4.68 0.00 2.08 1.82 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 2.23 2.29 0.00 11 L 8.63 5.22 0.00 1.77 1.59 1.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.47 4.62 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 0.62 0.00 0.00 0.96 0.00 0.00 13 R 8.46 4.83 0.00 1.74 1.86 0.00 3.30 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 14 P 0.00 4.54 0.00 2.00 1.99 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 15 G 9.37 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 16 A 7.63 4.32 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 17 S 8.41 5.40 0.00 3.66 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 18 V 8.45 4.46 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 0.55 0.00 0.00 0.89 0.00 0.00 19 K 8.47 4.75 0.00 1.62 1.61 0.00 1.50 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.27 7.81 20 L 9.15 4.76 0.00 1.28 1.70 0.55 -0.22 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 21 S 8.69 5.81 0.00 4.05 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 0.00 22 C 8.50 4.64 0.00 2.86 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 23 K 8.93 4.66 0.00 1.75 1.70 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.59 7.81 24 A 8.37 5.15 1.54 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 0.00 0.00 25 S 9.55 4.32 0.00 3.76 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 26 G 10.61 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 6.84 4.48 0.00 2.72 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 T 8.09 4.01 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 1.20 0.00 0.00 29 F 7.99 3.54 0.00 2.65 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 30 T 8.06 3.74 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 1.07 0.00 0.00 31 T 8.12 4.50 4.58 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 1.33 0.00 0.00 32 Y 7.31 6.12 0.00 2.92 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 33 W 9.11 4.61 0.00 3.33 3.19 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 34 I 9.08 5.01 1.83 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 1.19 0.67 0.65 0.00 0.00 35 H 9.49 5.41 0.00 3.09 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.96 5.30 0.00 3.03 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 37 V 9.29 4.86 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.89 0.00 0.00 38 K 9.38 4.64 0.00 1.93 1.76 0.00 2.05 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.23 1.00 7.81 39 Q 9.20 4.77 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 40 R 8.54 4.44 0.00 2.00 1.85 0.00 3.24 0.00 0.00 3.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 41 P 0.00 4.29 0.00 2.07 2.07 0.00 3.82 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 2.09 2.17 0.00 42 G 8.99 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 43 Q 8.12 4.66 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 44 G 8.36 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 45 L 8.26 4.73 0.00 1.69 1.70 0.79 0.71 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 46 E 8.82 4.78 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 47 W 9.21 4.45 0.00 3.39 3.29 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 48 I 8.16 3.21 1.59 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 -0.30 0.10 0.49 0.00 0.00 49 G 5.38 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.15 5.36 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 51 I 9.21 5.15 1.95 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 1.09 1.49 1.03 0.00 0.00 52 Y 8.41 4.08 0.00 1.43 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 0.00 0.00 0.00 52A P 0.00 3.94 0.00 1.52 1.74 0.00 3.01 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.52 0.00 53 G 6.33 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 0.00 0.00 0.00 54 S 8.75 3.37 0.00 4.07 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 55 D 6.95 4.50 0.00 2.71 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 56 N 8.02 5.42 0.00 2.86 2.87 0.00 0.00 6.55 6.93 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 57 T 8.37 5.41 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 1.25 0.00 0.00 58 Y 8.99 4.92 0.00 3.18 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 59 Y 9.12 4.97 0.00 2.94 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 60 D 8.97 5.08 0.00 3.42 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 61 E 8.93 3.90 0.00 2.18 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 2.44 2.48 0.00 62 K 8.49 3.87 0.00 1.75 1.60 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.57 7.81 63 F 8.86 4.77 0.00 3.12 3.06 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 64 K 8.28 3.76 0.00 1.90 1.86 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.36 7.81 65 N 7.88 4.94 0.00 2.75 2.76 0.00 0.00 6.06 7.13 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 66 K 8.20 4.02 0.00 1.92 2.00 0.00 1.89 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 67 A 7.56 5.09 1.27 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 68 T 8.74 4.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 69 L 9.42 5.41 0.00 1.43 1.58 0.73 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.18 4.85 4.44 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 1.30 0.00 0.00 71 V 8.41 4.44 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 0.68 0.00 0.00 0.99 0.00 0.00 72 D 9.00 4.65 0.00 2.93 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.72 3.89 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 1.27 0.00 0.00 74 S 8.02 4.08 0.00 3.94 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 75 S 7.94 4.10 0.00 3.90 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 76 S 7.44 2.00 0.00 3.47 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 77 T 6.75 4.87 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 1.08 0.00 0.00 78 A 8.62 5.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 9.89 5.83 0.00 3.15 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 M 9.06 4.72 0.00 1.01 0.57 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.93 0.00 81 Q 9.24 4.70 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.55 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 82 L 9.39 4.74 0.00 1.27 1.42 0.31 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 82A S 8.85 4.05 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82B S 8.48 5.02 0.00 3.70 3.77 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 82C L 9.11 4.40 0.00 1.60 1.61 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 T 9.00 4.80 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 1.29 0.00 0.00 84 S 8.89 4.06 0.00 3.84 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 85 E 7.58 4.08 0.00 2.12 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 0.00 2.35 2.43 0.00 86 D 7.97 4.69 0.00 2.86 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 87 S 8.21 5.07 0.00 3.91 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 88 A 8.44 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.48 4.37 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 0.49 0.00 0.00 0.93 0.00 0.00 90 Y 8.97 5.17 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 91 F 9.50 5.60 0.00 3.25 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 92 C 8.72 4.82 0.00 1.86 1.18 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 93 T 8.49 4.74 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 -0.26 0.00 0.00 94 R 8.71 4.69 0.00 1.91 1.87 0.00 2.21 0.00 0.00 2.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 0.00 95 G 9.46 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 96 S 9.11 4.60 0.00 3.57 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 97 L 8.00 4.20 0.00 1.03 1.45 1.06 0.94 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 98 Y 8.49 3.27 0.00 3.10 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 99 Y 7.70 4.32 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.43 3.86 0.00 1.55 2.46 0.00 0.00 6.12 8.04 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 100A N 7.68 4.56 0.00 2.43 2.59 0.00 0.00 6.93 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 100B Y 7.59 4.56 0.00 2.84 2.65 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 0.00 0.00 0.00 0.00 100C G 7.07 3.70 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 0.00 0.00 0.00 100D W 8.12 5.00 0.00 3.33 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 100E F 8.50 4.83 0.00 3.43 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 9.02 3.81 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 0.00 0.00 0.00 102 Y 8.09 5.16 0.00 2.89 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 0.00 103 W 9.02 5.20 0.00 3.09 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 0.00 104 G 9.20 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 9.06 4.70 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 106 G 8.62 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 0.00 0.00 0.00 107 T 8.20 4.89 4.38 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 1.37 0.00 0.00 108 L 9.62 4.62 0.00 1.70 1.62 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.96 4.97 2.56 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 1.26 0.00 0.00 1.09 0.00 0.00 110 T 8.59 4.90 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 1.32 0.00 0.00 111 V 8.60 4.95 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 0.73 0.00 0.00 1.03 0.00 0.00 112 S 8.47 4.55 0.00 3.71 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.35 4.42 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.94 3.86 -0.02 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 0.00 115 K 7.99 4.73 0.00 1.90 1.80 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.43 7.81 116 T 8.54 4.93 4.33 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 1.38 0.00 0.00 117 T 8.61 4.72 4.37 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 1.29 0.00 0.00 118 P 0.00 4.80 0.00 1.93 2.00 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 119 P 0.00 4.77 0.00 2.00 1.93 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 120 S 8.93 4.43 0.00 3.48 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.95 4.38 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 0.72 0.00 0.00 0.79 0.00 0.00 122 Y 8.28 5.15 0.00 3.02 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 0.00 123 P 0.00 4.97 0.00 2.19 2.17 0.00 3.91 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 2.09 2.11 0.00 124 L 9.22 4.74 0.00 1.65 1.63 1.00 1.09 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 0.00 125 A 8.45 4.97 1.37 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 0.00 0.00 126 P 0.00 4.35 0.00 2.23 2.06 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 127 G 8.93 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 0.00 128 S 8.55 4.51 0.00 4.03 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 0.00 129 N 8.17 4.84 0.00 2.75 2.86 0.00 0.00 7.21 7.35 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 0.00 130 A 8.12 4.05 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 0.00 125 A 8.45 4.97 1.37 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 0.00 0.00 126 S 8.48 4.40 0.00 3.83 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 0.00 127 Q 8.92 4.43 0.00 1.94 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 128 S 8.55 4.51 0.00 4.03 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 0.00 129 M 8.05 4.58 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 130 V 7.91 3.85 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 0.77 0.00 0.00 0.93 0.00 0.00 139 T 8.44 4.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 140 L 8.24 4.80 0.00 1.60 1.31 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.55 4.70 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 0.00 0.00 0.00 142 C 9.59 5.61 0.00 2.76 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 0.00 143 L 8.95 4.52 0.00 1.92 1.73 1.01 0.70 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 0.00 144 V 9.02 4.37 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 0.79 0.00 0.00 0.88 0.00 0.00 145 K 8.98 4.61 0.00 2.04 1.89 0.00 1.92 0.00 0.00 1.94 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.47 7.81 146 G 8.16 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 0.00 147 Y 7.59 5.28 0.00 2.97 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 0.00 148 F 8.89 5.25 0.00 3.17 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 0.00 149 P 0.00 4.46 0.00 1.75 0.86 0.00 3.75 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 150 E 8.47 4.07 0.00 1.74 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 1.47 1.60 0.00 151 P 0.00 4.86 0.00 2.08 1.98 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 152 V 7.70 4.55 1.85 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 -0.44 0.00 0.00 0.55 0.00 0.00 153 T 8.70 4.58 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 154 V 8.53 5.37 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 0.50 0.00 0.00 0.82 0.00 0.00 *156 T 8.16 4.87 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 1.23 0.00 0.00 157 W 8.43 4.67 0.00 3.43 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *162 N 8.54 4.49 0.00 3.06 2.93 0.00 0.00 7.10 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 9.13 4.19 0.00 3.99 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 0.00 164 G 8.33 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 0.00 165 S 7.68 4.19 0.00 4.01 4.03 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 0.00 166 L 7.84 4.64 0.00 1.71 1.58 0.96 0.77 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 0.00 167 S 8.35 4.45 0.00 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *169 S 7.31 4.14 0.00 4.01 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 0.00 170 G 8.28 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 0.00 0.00 0.00 171 V 6.87 4.42 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 0.95 0.00 0.00 0.79 0.00 0.00 172 H 8.81 4.68 0.00 3.02 2.56 0.00 5.84 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 T 8.37 4.90 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 174 F 8.79 4.96 0.00 2.97 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 0.00 175 P 0.00 4.54 0.00 2.04 2.07 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 176 A 8.72 4.62 1.39 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 0.00 177 V 9.09 4.42 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 0.74 0.00 0.00 1.06 0.00 0.00 *180 L 8.43 3.88 0.00 1.52 1.57 0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.61 4.26 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.35 6.04 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 182 S 9.34 3.57 0.00 3.93 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 0.00 183 D 7.93 4.62 0.00 2.67 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 0.00 184 L 7.27 4.74 0.00 1.50 1.45 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 8.31 4.80 0.00 1.94 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 0.00 186 T 8.61 5.32 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 1.30 0.00 0.00 187 L 8.94 5.09 0.00 2.03 1.95 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 188 T 8.48 5.34 4.42 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 1.30 0.00 0.00 189 S 9.18 5.46 0.00 4.05 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 S 9.13 5.46 0.00 3.91 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 0.00 191 V 7.70 4.31 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.20 0.00 0.00 0.43 0.00 0.00 192 T 8.43 4.99 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 1.20 0.00 0.00 193 V 8.03 4.41 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 0.54 0.00 0.00 0.90 0.00 0.00 194 P 0.00 5.21 0.00 2.17 2.06 0.00 3.52 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 195 S 8.68 4.34 0.00 3.94 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 0.00 196 S 8.22 4.02 0.00 3.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *198 T 7.74 4.39 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 1.24 0.00 0.00 199 W 7.89 5.25 0.00 3.24 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 2.97 0.00 1.57 0.49 0.00 3.61 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 *202 S 7.77 4.46 0.00 3.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 Q 7.76 4.86 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 204 T 8.70 4.22 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 1.25 0.00 0.00 205 V 8.82 4.61 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.16 0.00 0.00 206 T 9.65 5.40 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 *208 C 8.45 4.44 0.00 1.48 1.18 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 0.00 209 N 9.19 5.87 0.00 2.38 2.68 0.00 0.00 6.28 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 0.00 210 V 8.71 4.63 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 0.78 0.00 0.00 0.72 0.00 0.00 211 A 8.89 4.88 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 0.00 212 H 8.44 4.46 0.00 3.02 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 P 0.00 3.84 0.00 2.08 1.91 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 214 A 7.54 3.80 1.18 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 0.00 0.00 215 S 7.92 4.52 0.00 4.05 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 0.00 216 S 8.49 3.79 0.00 4.00 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 0.00 217 T 7.18 4.67 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 1.29 0.00 0.00 218 K 7.98 4.63 0.00 1.68 1.64 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.45 7.81 219 V 8.48 4.56 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 0.96 0.00 0.00 0.88 0.00 0.00 220 D 8.50 5.34 0.00 2.56 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 K 8.58 4.58 0.00 1.78 1.58 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.43 7.81 222 K 8.72 4.27 0.00 1.87 1.78 0.00 1.69 0.00 0.00 2.42 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.43 7.81 223 I 8.66 4.24 2.21 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.98 0.00 0.00 *226 V 8.03 4.45 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 1.14 0.00 0.00 1.03 0.00 0.00 227 P 0.00 4.68 0.00 1.97 1.95 0.00 3.57 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 228 R 8.55 4.18 0.00 1.86 1.89 0.00 3.45 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.