NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-5 H 4.6158 8.4449 117.3655 52.6028 29.0805 172.9014 -4 H 4.3806 8.9246 119.0320 54.2024 28.8683 176.8470 -3 H 3.7943 7.9033 118.4186 56.5947 27.7600 175.0255 -2 H 4.5489 8.3524 128.9660 57.3534 31.6883 172.0606 -1 H 4.6137 7.1519 117.5802 59.0897 33.4699 171.3096 0 H 4.2322 8.5991 112.8288 56.1342 30.2613 173.4830 1 M 3.1799 8.7434 116.6023 55.5675 32.1339 176.0320 2 A 4.1474 8.1704 127.5593 52.6735 18.8895 176.7273 3 T 4.4076 8.0143 108.1146 60.9616 70.3017 172.9554 4 E 4.7463 8.6700 129.2588 56.3499 30.5938 175.4544 5 T 4.8698 8.0154 107.1442 60.4859 70.8108 173.1468 6 E 4.6454 9.1759 122.9700 54.6871 33.6690 174.2589 7 T 4.7849 7.7948 119.7814 61.5894 71.5117 173.3864 8 F 4.7079 8.2833 123.6868 55.3777 42.9800 173.7670 9 A 4.9349 8.3280 122.8105 50.0739 20.5570 177.0653 10 F 4.7575 8.5214 121.2546 57.6545 39.8651 175.6038 11 Q 4.1040 9.3705 123.4964 55.9756 29.4506 176.3238 12 A 3.9122 8.4710 123.4292 55.9023 18.1868 179.6274 13 E 3.8682 8.2355 114.5962 59.8849 29.7466 180.1197 14 I 3.5316 7.7058 118.7570 64.0937 37.1714 178.0443 15 N 4.2269 8.3096 117.5499 56.3483 38.4016 177.3587 16 Q 3.9521 7.9411 119.2056 58.7878 28.7408 178.6124 17 L 3.8983 7.8977 121.2086 58.3287 42.2906 178.9388 18 L 3.8402 8.0352 119.1911 57.7717 41.4104 179.5979 19 S 4.0146 8.0752 113.0384 61.2775 62.3977 175.8051 20 L 4.0087 7.9391 121.6779 58.1797 41.2346 179.8356 21 I 3.8191 7.9015 118.1722 64.3167 37.2980 177.7266 22 I 4.2635 7.5340 115.4077 61.4925 38.1879 175.3410 23 N 4.9318 8.2441 114.5331 54.0837 40.8017 174.7845 24 T 4.2686 7.5035 114.1220 61.8637 69.7783 174.1905 25 F 4.4787 8.4708 127.4254 57.5602 39.5180 174.5822 26 Y 4.4720 7.8536 125.3935 56.4322 40.1900 176.2968 27 S 4.0572 8.5020 117.7033 61.3995 64.3195 175.7193 28 N 5.0340 7.6662 117.7310 51.9201 37.6253 176.6656 29 K 4.2318 7.7982 119.5963 58.9626 32.2717 178.7838 30 E 3.9914 8.2986 117.5948 58.3522 29.4811 178.0345 31 I 3.8702 7.2749 112.4147 61.6234 37.7099 177.5569 32 F 4.1712 7.8778 119.6636 59.7239 37.5769 177.1631 33 L 3.3654 5.6597 119.9029 57.1324 41.5867 178.9399 34 R 3.7075 7.3027 118.3042 59.5213 29.7563 178.2601 35 E 3.9114 8.0337 118.2324 59.0815 29.3584 179.4862 36 L 4.0152 7.8112 119.0517 57.7729 41.6948 179.2334 37 I 3.6741 7.5799 118.4940 64.5425 37.1822 178.1345 38 S 4.1640 8.3913 114.2339 61.4951 61.8113 175.8000 39 N 4.1584 8.3974 119.3324 56.3950 38.1520 177.2365 40 S 4.1013 8.0238 114.4579 60.7665 62.4227 175.9155 41 S 3.8988 8.2091 116.1945 61.5848 62.0592 175.6119 42 D 4.3600 8.2371 120.7349 57.7960 40.6168 179.1968 43 A 3.9386 7.5460 120.0016 54.9120 18.3639 179.7331 44 L 3.6916 7.3975 117.3691 57.8442 41.4869 179.0769 45 D 4.7852 8.1445 120.4244 56.7798 40.7793 179.4536 46 K 3.9984 7.6364 118.4087 59.6398 31.9396 179.3961 47 I 3.7544 7.6565 116.5040 63.4307 38.0886 177.6077 48 R 4.0667 7.9972 120.0728 59.4638 30.1905 177.9816 49 F 4.1615 8.5256 120.6875 61.5104 39.2014 176.8375 50 E 4.0178 8.4708 116.8357 58.4052 29.2959 178.3573 51 S 4.7013 7.8625 112.7847 58.8421 63.8556 175.7570 52 L 4.0955 7.5795 122.7436 56.8024 42.1630 177.5682 53 T 4.5772 8.3119 107.2186 59.3101 69.2295 174.8035 54 D 5.6051 7.7092 135.0000 55.6809 42.1759 176.9914 55 K 3.8744 7.5827 125.2645 57.1863 31.8735 179.4061 56 S 5.4247 7.7913 108.3294 58.9301 63.1520 176.3107 57 K 3.9926 8.1601 122.1013 59.2927 32.0678 177.8197 58 L 4.5591 7.5014 116.5125 54.5052 42.0000 177.8267 59 D 4.3339 7.7770 121.0553 57.5146 40.8465 178.8909 60 A 3.8253 8.0838 120.1772 54.1501 18.3622 176.7312 61 Q 5.0646 7.2542 115.6096 55.7064 31.5777 171.3941 62 P 4.5416 0.0000 0.0000 63.8657 32.0136 176.6190 63 E 4.4339 8.0893 118.3125 55.0215 30.3019 175.6813 64 L 4.2591 8.6277 124.7907 54.0816 42.0111 175.7299 65 F 5.1135 8.5739 118.4941 55.7538 42.3175 173.2531 66 I 5.0968 8.9180 119.0334 60.0073 40.8693 174.3487 67 H 5.7091 9.7743 124.4686 54.1205 32.1396 173.0028 68 I 4.9422 9.1057 123.7293 59.7419 39.8979 174.7478 69 I 4.9800 9.0702 128.1609 58.8632 39.9376 172.3715 70 P 4.8373 0.0000 0.0000 61.7520 32.5137 175.2604 71 D 4.6535 9.2005 126.7585 52.4400 41.8818 176.9886 72 K 3.8745 8.9158 126.8518 59.5684 32.1425 178.9605 73 A 4.0621 8.0358 120.4130 55.6605 18.3989 178.3669 74 T 4.1401 8.3522 104.3615 61.7808 70.1258 174.5241 75 S 3.7912 7.8054 117.3503 60.1666 60.5424 171.2619 76 T 5.5699 7.8272 109.5766 58.7293 72.0580 173.7917 77 L 4.8003 8.4437 127.8278 54.1868 44.0911 174.8831 78 T 5.0954 8.5478 120.0503 60.4332 71.2061 172.2448 79 I 5.2413 8.9937 129.2648 59.4662 40.6499 174.8873 80 V 5.1725 8.9303 125.8198 59.9659 34.9784 174.2246 81 D 5.3026 9.1878 121.9344 49.9375 43.4423 175.2039 82 S 5.1447 6.7474 111.5977 57.4653 63.1974 175.2243 83 G 3.6911 7.7623 111.7519 46.1917 0.0000 174.5172 84 I 3.5687 7.6021 118.6300 61.8922 38.0713 177.8241 85 G 3.9467 7.3308 104.2429 45.1620 0.0000 172.1109 86 M 4.6360 8.3828 117.9105 53.0148 35.0254 176.9742 87 T 4.3076 8.2175 113.0914 60.6742 71.5548 175.8345 88 K 3.4591 8.3396 121.6390 59.5449 32.0632 178.4611 89 S 4.0090 7.8322 113.3484 61.6052 62.1066 175.9583 90 D 4.2535 7.7981 120.8624 57.1629 40.6961 178.4276 91 L 3.7629 7.7032 119.3802 57.9960 41.8340 179.9167 92 V 3.5547 7.7751 117.8150 65.7360 31.1553 177.5862 93 N 4.4633 7.9239 115.9378 55.3528 38.5629 176.8272 94 N 4.5011 8.2964 117.5980 54.5650 39.4473 176.2379 95 L 3.9073 8.1084 119.2033 52.9709 41.9633 176.4213 96 G 3.9999 6.9402 114.7683 46.0344 0.0000 175.8503 97 T 4.3184 7.3554 116.5503 64.7408 69.4649 175.2328 98 I 4.2509 7.2854 119.5737 59.5347 38.5549 175.2442 99 A 4.5648 8.2853 127.6983 50.1607 19.2991 176.7437 100 R 4.2085 8.3018 121.1324 56.7805 30.9347 178.5801 101 S 4.2714 8.7775 114.8605 61.7335 62.8567 176.7823 102 G 4.4435 8.1437 109.8244 46.8542 0.0000 175.4890 103 T 3.9535 7.8909 118.3296 66.5848 68.5458 176.3839 104 K 3.9317 8.1190 123.1590 60.1860 32.3429 178.6879 105 E 3.8867 7.7172 118.4660 61.3977 29.5327 180.4956 106 F 3.2228 8.1863 121.7434 61.2959 39.3124 177.0651 107 M 3.5498 7.6843 117.3176 58.2893 31.6712 178.4537 108 E 3.8124 8.0184 118.1958 59.5374 29.7334 179.1721 109 A 3.9368 7.8630 120.5063 55.2162 18.3555 179.4752 110 L 3.7340 7.9670 117.2767 58.0858 41.4819 179.8293 111 A 4.0009 7.6634 118.7454 54.8022 18.3362 179.0435 112 A 4.2169 7.8476 115.5247 52.5389 18.2012 177.5088 113 G 3.6455 8.1020 105.9024 46.9988 0.0000 174.4370 114 A 4.4073 7.7740 122.0775 51.0044 19.9535 176.9861 115 D 4.9775 8.2770 118.5310 52.5169 42.9180 177.7239 116 V 3.7847 8.4024 125.7326 64.6955 30.8776 178.3498 117 S 4.2299 8.1945 113.4038 60.7510 63.0782 175.1354 118 M 4.3205 8.5094 122.2039 56.0891 31.4323 177.5027 119 I 2.6230 7.8633 120.6611 63.4940 37.8285 178.0288 120 G 3.5445 7.6952 107.4743 47.3780 0.0000 175.6822 121 Q 3.9410 7.5667 118.9799 57.4174 28.8894 177.9503 122 F 4.7570 7.8438 117.5637 56.5574 39.0534 176.3514 123 G 3.9784 8.2705 106.5079 46.4321 0.0000 174.4281 124 V 4.6947 7.3618 110.7111 59.7256 33.1251 178.3917 125 G 3.6699 8.4722 108.9284 48.0234 0.0000 174.9906 126 F 3.9753 8.1149 122.1493 61.4880 39.2198 176.3632 127 Y 4.2432 7.6360 114.7479 59.4377 37.5561 177.7516 128 S 4.0774 8.0356 115.9083 61.1731 62.7693 176.1526 129 A 3.7814 7.5203 124.5239 55.2238 17.7383 178.3338 130 Y 4.5343 7.5726 113.5780 58.3331 38.0940 177.3533 131 L 4.2280 7.9078 121.3563 57.0788 41.9764 178.0651 132 V 4.2663 7.4637 108.5397 60.3053 33.5884 174.7785 133 A 5.0916 7.8529 123.3138 50.2437 21.0675 176.6210 134 E 4.6780 8.9766 118.4396 57.2062 31.5879 176.5116 135 R 5.1148 8.0459 119.9918 54.6607 34.1148 173.7258 136 V 5.0350 9.1108 125.5790 61.2215 35.0151 174.5296 137 V 4.6756 8.9691 126.6407 61.3292 34.0739 173.7709 138 V 4.7035 9.3338 129.0590 62.1077 33.1316 174.4758 139 T 5.1961 8.8960 122.1729 60.6673 70.3173 172.3722 140 T 5.1830 9.2408 122.5093 60.4718 71.8522 172.2530 141 K 4.8250 9.2433 127.6928 55.0669 35.4733 174.4308 142 H 5.2030 8.7868 126.6630 53.9578 32.1746 174.3634 143 N 4.1099 8.6877 123.5379 56.8077 38.4215 175.9958 144 D 4.4648 7.4391 115.1011 55.6769 41.3734 174.7244 145 D 4.9202 8.0048 117.0904 52.5767 44.4117 173.5715 146 E 4.5254 8.6240 119.7304 54.6216 31.5006 175.2539 147 Q 4.5509 8.2933 120.9227 56.7361 30.1181 174.4511 148 Y 5.3201 9.3224 123.0689 56.2174 43.1546 174.4606 149 V 4.9744 9.2130 120.0881 61.2355 34.7640 173.8033 150 W 5.9373 9.7419 135.0000 55.6448 32.6473 174.5157 151 E 5.2810 8.0967 126.3241 55.1174 33.0441 173.4374 152 S 4.8190 8.8895 118.7449 57.4474 66.3631 174.4410 153 Q 4.5893 8.6714 121.5077 55.5052 29.2779 176.7480 154 A 3.8002 8.4451 119.1807 52.6989 16.6410 178.9483 155 G 3.8751 7.5503 105.4194 46.7910 0.0000 175.8569 156 G 4.6487 9.9925 108.7562 45.7129 0.0000 173.5452 157 S 4.6529 7.6169 112.2369 57.2264 66.0483 172.2106 158 F 4.9081 8.4084 115.2947 55.6820 41.6613 173.1679 159 T 4.9579 8.4457 108.7178 59.7837 71.8818 172.9511 160 V 5.2203 8.6997 123.3568 61.7212 34.6054 174.4389 161 T 5.0893 8.9415 123.0538 61.7673 73.1109 173.2672 162 R 3.6892 8.5217 126.3261 56.1074 30.6628 175.1779 163 D 4.5634 8.6832 126.5538 53.9650 42.1961 174.8155 164 T 4.3530 8.6227 113.9797 63.4427 71.0594 175.8895 165 S 4.2759 8.1493 113.7379 57.8386 62.7468 173.8348 166 G 4.2171 7.6090 108.9520 43.0235 0.0000 173.2878 167 E 4.1255 8.4575 121.1783 55.4713 30.2352 176.2646 168 Q 4.4095 8.5389 125.7173 55.4538 29.5361 175.8230 169 L 4.4285 8.3454 123.0273 53.8415 43.0016 177.4294 170 G 3.7210 8.7400 110.8101 48.2710 0.0000 174.0594 171 R 4.5737 7.7502 118.0196 56.0365 33.4628 172.5519 172 G 4.2933 8.5802 107.5791 44.9713 0.0000 172.4310 173 T 5.0464 8.3099 115.5641 62.1145 73.6708 173.2226 174 K 4.8676 9.2581 126.7269 54.9944 34.8217 174.2849 175 M 4.7937 9.1590 128.6497 54.2236 33.8425 175.5390 176 V 4.4483 8.4892 123.6788 61.0190 34.3875 174.1418 177 L 4.6806 8.9540 128.8362 53.2478 43.3712 175.7920 178 Y 4.2890 8.7272 123.9038 57.1680 38.3198 175.3192 179 L 4.6354 8.5069 125.3730 54.1532 42.5663 177.7883 180 K 4.1359 8.9895 122.6606 56.4567 33.1019 177.5056 181 D 4.4526 9.0356 121.2759 57.7618 41.2812 178.0831 182 D 4.5327 8.2116 118.0242 56.5821 39.4212 177.3785 183 Q 4.3741 7.9013 118.3469 56.4140 28.4685 176.9771 184 M 4.3307 8.0040 118.4016 56.9166 32.4282 177.5915 185 E 3.9704 7.7002 116.5355 59.3437 30.0800 177.4656 186 Y 4.8260 7.0552 117.1823 58.2477 37.6917 175.9640 187 L 4.5963 7.4625 121.1071 55.4265 43.4357 177.6947 188 E 4.2102 7.9214 119.0048 55.7368 31.3059 177.2294 189 E 3.9633 8.7514 123.5830 59.2960 29.8330 179.1901 190 R 3.8703 7.9142 118.3126 59.3655 30.2115 178.2215 191 R 3.9026 7.9583 117.9623 59.6081 30.0679 178.3813 192 I 3.7427 7.7322 119.3471 64.2773 37.1227 178.3165 193 K 3.9209 8.1852 120.4784 59.7525 31.8735 178.0678 194 D 4.3375 8.2044 119.1145 57.4098 40.2746 178.5059 195 L 3.9726 8.2997 119.0176 58.1472 41.7988 179.7257 196 V 3.5717 7.9270 117.8581 66.1323 31.2238 177.6558 197 K 3.8281 7.8002 118.1038 59.8840 32.0573 178.4170 198 R 4.0592 8.1623 117.7592 58.7141 30.0699 176.5368 199 H 4.7925 7.9833 112.0461 55.2073 31.4205 174.2294 200 S 4.7755 7.9048 116.3302 57.2192 61.6086 173.4700 201 E 4.7656 8.0201 117.6823 55.6249 30.3877 176.1893 202 F 4.5444 8.1331 111.4357 56.4294 42.7166 173.9262 203 I 4.4092 7.8360 121.8705 59.4796 39.0052 175.7672 204 S 4.7471 8.4510 124.3505 58.0066 63.4370 173.2354 205 Y 4.7584 7.5624 116.4559 56.1132 42.2112 172.7812 206 P 4.4779 0.0000 0.0000 63.9749 32.4462 174.8641 207 I 4.9526 8.4767 126.0255 59.9525 38.9883 175.1730 208 S 5.0907 9.2022 122.9337 56.5738 66.4286 173.2819 209 L 4.9501 9.0589 125.0962 52.8404 43.6380 175.6951 210 W 4.4169 9.0182 129.7111 57.1052 29.3801 178.7965 211 T 4.1503 7.1149 110.7534 60.3398 66.5803 176.3560 212 E 3.6769 8.0489 126.7802 56.7718 26.1735 173.8660 213 K 2.7162 7.7267 125.1714 56.4383 31.9335 177.5051 214 T 4.0515 7.2870 111.5003 61.3671 69.3445 173.0397 215 T 5.0842 7.8892 113.3128 60.2526 71.2584 173.9498 216 E 4.5104 8.4170 119.4072 55.5465 32.6916 175.1337 217 K 4.2239 8.6352 120.3291 57.0811 32.0253 177.4436 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 *-5 H 8.44 4.62 0.00 2.95 2.79 0.00 7.22 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.92 4.38 0.00 3.47 3.52 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 7.90 3.79 0.00 3.27 2.94 0.00 6.05 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.35 4.55 0.00 3.27 3.34 0.00 5.78 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.15 4.61 0.00 3.11 3.17 0.00 5.92 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 0 H 8.60 4.23 0.00 3.30 3.30 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.74 3.18 0.00 1.90 2.35 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 2 A 8.17 4.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.01 4.41 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 1.19 0.00 0.00 4 E 8.67 4.75 0.00 2.09 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 2.43 2.36 0.00 5 T 8.02 4.87 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 6 E 9.18 4.65 0.00 1.97 1.71 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 1.47 1.94 0.00 7 T 7.79 4.78 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 0.95 0.00 0.00 8 F 8.28 4.71 0.00 1.64 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 9 A 8.33 4.93 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.52 4.76 0.00 3.25 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 11 Q 9.37 4.10 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.65 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 12 A 8.47 3.91 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 13 E 8.24 3.87 0.00 2.07 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 2.41 2.49 0.00 14 I 7.71 3.53 2.01 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 1.38 0.55 0.33 0.00 0.00 15 N 8.31 4.23 0.00 2.94 2.88 0.00 0.00 6.96 7.33 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 16 Q 7.94 3.95 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 17 L 7.90 3.90 0.00 1.71 1.61 1.17 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.04 3.84 0.00 1.69 1.47 -0.18 0.29 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 19 S 8.08 4.01 0.00 3.88 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 20 L 7.94 4.01 0.00 1.94 1.84 0.82 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.90 3.82 2.09 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 1.62 0.83 0.98 0.00 0.00 22 I 7.53 4.26 1.93 0.00 0.00 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 1.58 0.88 1.00 0.00 0.00 23 N 8.24 4.93 0.00 2.97 2.82 0.00 0.00 6.90 6.90 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 24 T 7.50 4.27 3.65 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 0.60 0.00 0.00 25 F 8.47 4.48 0.00 2.96 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 26 Y 7.85 4.47 0.00 2.86 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 27 S 8.50 4.06 0.00 3.86 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 28 N 7.67 5.03 0.00 2.77 2.80 0.00 0.00 7.64 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 29 K 7.80 4.23 0.00 1.93 1.92 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.60 7.81 30 E 8.30 3.99 0.00 2.22 2.41 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 2.51 2.56 0.00 31 I 7.27 3.87 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.89 0.00 0.00 32 F 7.88 4.17 0.00 3.11 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 33 L 5.66 3.37 0.00 0.54 1.04 0.77 0.69 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 34 R 7.30 3.71 0.00 1.67 1.95 0.00 3.23 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 35 E 8.03 3.91 0.00 2.11 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 2.43 2.42 0.00 36 L 7.81 4.02 0.00 1.64 1.66 0.94 0.72 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 37 I 7.58 3.67 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.91 0.00 0.00 38 S 8.39 4.16 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 39 N 8.40 4.16 0.00 2.76 2.81 0.00 0.00 6.80 7.53 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 0.00 40 S 8.02 4.10 0.00 4.07 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 41 S 8.21 3.90 0.00 3.99 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 42 D 8.24 4.36 0.00 2.86 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 A 7.55 3.94 1.26 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 44 L 7.40 3.69 0.00 1.08 0.72 0.20 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.14 4.79 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.64 4.00 0.00 1.92 1.87 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 47 I 7.66 3.75 1.93 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 1.51 0.62 0.91 0.00 0.00 48 R 8.00 4.07 0.00 2.20 2.22 0.00 3.23 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 49 F 8.53 4.16 0.00 3.08 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 50 E 8.47 4.02 0.00 2.13 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 2.40 2.44 0.00 51 S 7.86 4.70 0.00 3.99 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 52 L 7.58 4.10 0.00 1.48 1.66 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.31 4.58 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 1.09 0.00 0.00 54 D 7.71 5.61 0.00 2.76 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 55 K 7.58 3.87 0.00 1.72 1.84 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.03 7.81 56 S 7.79 5.42 0.00 4.04 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 57 K 8.16 3.99 0.00 1.85 1.90 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.68 1.67 7.81 58 L 7.50 4.56 0.00 1.86 1.68 0.95 1.04 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 59 D 7.78 4.33 0.00 2.92 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 60 A 8.08 3.83 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 61 Q 7.25 5.06 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 62 P 0.00 4.54 0.00 2.13 2.12 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 63 E 8.09 4.43 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 64 L 8.63 4.26 0.00 1.86 1.67 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.57 5.11 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 66 I 8.92 5.10 1.96 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 1.11 0.62 0.95 0.00 0.00 67 H 9.77 5.71 0.00 3.19 3.40 0.00 5.56 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 9.11 4.94 1.95 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 1.29 1.26 0.97 0.00 0.00 69 I 9.07 4.98 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.96 0.00 0.00 70 P 0.00 4.84 0.00 2.18 2.14 0.00 3.57 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 71 D 9.20 4.65 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.92 3.87 0.00 1.85 1.88 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.42 7.81 73 A 8.04 4.06 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 74 T 8.35 4.14 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 1.35 0.00 0.00 75 S 7.81 3.79 0.00 4.27 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 76 T 7.83 5.57 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 0.84 0.00 0.00 77 L 8.44 4.80 0.00 1.89 1.61 1.00 0.90 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 78 T 8.55 5.10 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 1.24 0.00 0.00 79 I 8.99 5.24 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 0.97 0.00 0.00 80 V 8.93 5.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 81 D 9.19 5.30 0.00 2.45 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 0.00 0.00 0.00 0.00 82 S 6.75 5.14 0.00 3.64 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.60 3.57 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.90 0.00 0.00 85 G 7.33 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.38 4.64 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 87 T 8.22 4.31 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 1.31 0.00 0.00 88 K 8.34 3.46 0.00 0.79 1.46 0.00 1.42 0.00 0.00 1.42 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.20 0.94 7.81 89 S 7.83 4.01 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 7.80 4.25 0.00 2.89 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 91 L 7.70 3.76 0.00 1.88 1.83 1.06 0.43 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 92 V 7.78 3.55 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 0.23 0.00 0.00 0.53 0.00 0.00 93 N 7.92 4.46 0.00 2.87 2.78 0.00 0.00 6.87 6.79 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 94 N 8.30 4.50 0.00 2.55 2.62 0.00 0.00 6.97 6.52 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 95 L 8.11 3.91 0.00 0.98 0.26 -0.84 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 96 G 6.94 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 0.00 0.00 0.00 97 T 7.36 4.32 4.65 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 1.31 0.00 0.00 98 I 7.29 4.25 2.10 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 1.24 0.81 0.93 0.00 0.00 99 A 8.29 4.56 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 0.00 100 R 8.30 4.21 0.00 1.93 1.90 0.00 3.15 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 101 S 8.78 4.27 0.00 4.09 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 0.00 102 G 8.14 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 0.00 0.00 0.00 0.00 103 T 7.89 3.95 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 104 K 8.12 3.93 0.00 1.82 1.80 0.00 1.93 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 105 E 7.72 3.89 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 106 F 8.19 3.22 0.00 2.56 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 0.00 107 M 7.68 3.55 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 108 E 8.02 3.81 0.00 2.13 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 2.29 2.28 0.00 109 A 7.86 3.94 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 0.00 110 L 7.97 3.73 0.00 1.33 1.51 0.45 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.66 4.00 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 0.00 112 A 7.85 4.22 1.35 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 0.00 0.00 0.00 113 G 8.10 3.65 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 0.00 0.00 0.00 114 A 7.77 4.41 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 0.00 115 D 8.28 4.98 0.00 2.81 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 0.00 116 V 8.40 3.78 1.35 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 0.66 0.00 0.00 0.47 0.00 0.00 117 S 8.19 4.23 0.00 4.05 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 0.00 118 M 8.51 4.32 0.00 2.30 2.57 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.76 0.00 119 I 7.86 2.62 1.89 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 0.95 0.65 0.80 0.00 0.00 120 G 7.70 3.54 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 0.00 121 Q 7.57 3.94 0.00 1.65 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 122 F 7.84 4.76 0.00 2.80 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 0.00 123 G 8.27 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.36 4.69 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.79 0.00 0.00 125 G 8.47 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 0.00 126 F 8.11 3.98 0.00 2.76 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.64 4.24 0.00 3.06 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 0.00 128 S 8.04 4.08 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 0.00 129 A 7.52 3.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 7.57 4.53 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.91 4.23 0.00 1.65 1.74 0.90 1.03 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 0.00 132 V 7.46 4.27 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 0.54 0.00 0.00 -0.32 0.00 0.00 133 A 7.85 5.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.98 4.68 0.00 2.05 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 0.00 2.58 2.33 0.00 135 R 8.05 5.11 0.00 1.95 1.85 0.00 3.14 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 136 V 9.11 5.04 2.34 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 1.01 0.00 0.00 0.26 0.00 0.00 137 V 8.97 4.68 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 1.07 0.00 0.00 1.22 0.00 0.00 138 V 9.33 4.70 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 139 T 8.90 5.20 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 1.38 0.00 0.00 140 T 9.24 5.18 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 1.33 0.00 0.00 141 K 9.24 4.83 0.00 1.88 1.61 0.00 1.63 0.00 0.00 1.60 0.00 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.57 1.42 7.81 142 H 8.79 5.20 0.00 3.19 3.19 0.00 5.96 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.69 4.11 0.00 2.55 2.84 0.00 0.00 7.03 8.06 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 0.00 144 D 7.44 4.46 0.00 2.72 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 0.00 145 D 8.00 4.92 0.00 2.64 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 0.00 146 E 8.62 4.53 0.00 1.98 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 2.25 2.31 0.00 147 Q 8.29 4.55 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 148 Y 9.32 5.32 0.00 2.89 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 0.00 149 V 9.21 4.97 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 1.13 0.00 0.00 1.03 0.00 0.00 150 W 9.74 5.94 0.00 3.47 3.16 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 0.00 151 E 8.10 5.28 0.00 2.15 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 2.27 2.37 0.00 152 S 8.89 4.82 0.00 3.53 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 0.00 153 Q 8.67 4.59 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.75 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 154 A 8.45 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 7.55 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 0.00 156 G 9.99 4.65 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 0.00 0.00 0.00 157 S 7.62 4.65 0.00 3.90 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.41 4.91 0.00 2.24 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 0.00 159 T 8.45 4.96 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 1.10 0.00 0.00 160 V 8.70 5.22 2.45 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 1.27 0.00 0.00 1.25 0.00 0.00 161 T 8.94 5.09 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 1.35 0.00 0.00 162 R 8.52 3.69 0.00 1.36 1.66 0.00 3.03 0.00 0.00 2.70 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.24 0.00 163 D 8.68 4.56 0.00 2.78 2.48 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 0.00 164 T 8.62 4.35 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 1.26 0.00 0.00 165 S 8.15 4.28 0.00 4.04 4.07 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 0.00 166 G 7.61 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 E 8.46 4.13 0.00 1.95 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 0.00 2.28 2.32 0.00 168 Q 8.54 4.41 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 169 L 8.35 4.43 0.00 1.64 1.61 0.97 0.97 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 0.00 170 G 8.74 3.72 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 0.00 0.00 0.00 171 R 7.75 4.57 0.00 1.79 1.68 0.00 3.14 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 172 G 8.58 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 0.00 0.00 0.00 0.00 173 T 8.31 5.05 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 174 K 9.26 4.87 0.00 1.79 1.68 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 175 M 9.16 4.79 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 176 V 8.49 4.45 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 0.40 0.00 0.00 0.88 0.00 0.00 177 L 8.95 4.68 0.00 1.64 1.39 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 178 Y 8.73 4.29 0.00 3.21 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 0.00 179 L 8.51 4.64 0.00 1.72 1.64 1.08 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.99 4.14 0.00 1.76 1.80 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.53 1.55 7.81 181 D 9.04 4.45 0.00 2.68 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 0.00 182 D 8.21 4.53 0.00 2.89 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 0.00 183 Q 7.90 4.37 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 184 M 8.00 4.33 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 185 E 7.70 3.97 0.00 1.94 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 1.47 1.73 0.00 186 Y 7.06 4.83 0.00 3.36 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 0.00 187 L 7.46 4.60 0.00 1.75 1.74 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.92 4.21 0.00 1.98 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 2.63 2.27 0.00 189 E 8.75 3.96 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 190 R 7.91 3.87 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 191 R 7.96 3.90 0.00 1.95 2.09 0.00 3.33 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 192 I 7.73 3.74 1.91 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 1.51 0.74 0.94 0.00 0.00 193 K 8.19 3.92 0.00 2.05 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.48 7.81 194 D 8.20 4.34 0.00 3.00 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 0.00 195 L 8.30 3.97 0.00 1.80 1.62 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.93 3.57 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 1.01 0.00 0.00 0.96 0.00 0.00 197 K 7.80 3.83 0.00 1.80 2.02 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.32 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.52 7.81 198 R 8.16 4.06 0.00 2.04 2.07 0.00 3.34 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 199 H 7.98 4.79 0.00 3.07 3.26 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 7.90 4.78 0.00 3.98 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 0.00 201 E 8.02 4.77 0.00 1.92 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 2.21 2.36 0.00 202 F 8.13 4.54 0.00 2.94 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 0.00 203 I 7.84 4.41 1.96 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 1.58 1.00 0.97 0.00 0.00 204 S 8.45 4.75 0.00 3.67 3.73 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 0.00 205 Y 7.56 4.76 0.00 2.95 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 0.00 206 P 0.00 4.48 0.00 2.26 2.33 0.00 3.92 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 2.43 2.17 0.00 207 I 8.48 4.95 1.92 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 1.43 0.81 0.97 0.00 0.00 208 S 9.20 5.09 0.00 3.83 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 0.00 209 L 9.06 4.95 0.00 1.74 1.47 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 210 W 9.02 4.42 0.00 3.18 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 0.00 211 T 7.11 4.15 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 1.21 0.00 0.00 212 E 8.05 3.68 0.00 2.10 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 2.19 2.37 0.00 213 K 7.73 2.72 0.00 1.66 1.49 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.63 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.91 1.09 7.81 214 T 7.29 4.05 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 1.11 0.00 0.00 215 T 7.89 5.08 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 1.14 0.00 0.00 216 E 8.42 4.51 0.00 1.93 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 2.20 2.38 0.00 217 K 8.64 4.22 0.00 1.77 1.70 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.