NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3806 8.4345 115.3814 58.1623 64.3563 173.4175 -1 N 4.2539 8.6270 116.1915 54.7434 37.7233 170.1030 0 A 4.2356 7.3917 120.8988 51.9069 20.2627 176.4085 1 M 4.4020 8.8933 122.8849 58.2348 33.1995 175.6958 2 L 4.7972 7.6636 119.2219 53.3991 44.8247 174.6576 3 D 4.9633 8.6555 126.3003 52.6682 43.6709 175.6599 4 I 4.9017 8.2003 121.9231 59.9360 40.2114 174.8320 5 T 4.6152 8.7161 124.2888 61.8488 71.0865 173.7279 6 T 4.5008 8.6938 124.0314 63.3963 69.4434 174.0898 7 I 4.6390 8.7643 128.6615 60.2827 39.1981 175.1942 8 T 4.9594 8.9147 116.6256 58.5544 72.0289 174.9079 9 R 3.9246 7.9792 118.8274 59.5516 30.1692 178.5299 10 Q 4.1363 7.9330 116.2571 58.3712 28.9929 177.2226 11 N 5.0181 8.0061 112.9791 52.1464 38.2134 176.6029 12 V 3.5205 7.7491 121.5208 65.2390 31.4685 177.9071 13 T 3.1646 7.3945 108.9634 62.8977 68.8035 175.0381 14 S 4.4026 7.7445 116.4042 59.1198 63.8468 175.0618 15 V 3.7410 7.4175 122.4874 61.0068 31.8355 175.8959 16 V 3.3103 7.8745 122.6509 64.3371 31.7073 176.3178 17 G 3.0650 8.1757 114.9400 45.0315 0.0000 173.7478 18 Y 4.0307 7.5819 120.5252 60.1052 38.9594 175.7439 19 Y 4.6432 7.8603 115.4931 56.6382 39.8785 174.5147 20 S 4.6933 8.1425 115.5248 57.4008 66.1335 173.0966 21 D 4.6445 8.4546 120.5709 53.0388 41.4587 177.8706 22 A 3.9930 8.6964 127.5637 54.9607 18.5328 178.5220 23 K 4.1695 7.9825 113.0786 58.3057 33.2299 176.4662 24 D 5.0149 7.7838 119.9910 52.6166 43.0800 176.2302 25 D 4.3568 8.7031 122.7755 56.1255 41.4389 175.9531 26 Y 4.8722 7.5855 114.5912 55.9249 40.9656 175.4020 27 Y 4.3050 8.0800 121.3078 61.1511 38.2984 176.6307 28 S 4.8625 7.9243 116.5352 56.9621 63.9625 173.9700 29 K 4.0575 8.0647 123.5781 55.5939 32.4109 177.1926 30 D 4.4854 9.2826 121.4813 54.4467 38.5774 173.5273 31 S 4.6425 7.6824 111.7029 57.8657 66.2084 173.3566 32 S 4.7292 8.3033 111.9134 58.1094 62.5100 174.6484 33 F 4.3008 8.4804 120.7239 59.3339 39.6095 175.2126 34 T 5.4607 8.0661 106.5765 59.1161 71.6013 173.7479 35 S 4.8294 7.7352 114.9352 57.1016 66.7803 173.1426 36 W 5.1381 8.4791 121.7111 56.5343 29.6639 175.7342 37 Q 4.6691 9.9260 122.2746 54.6085 33.3980 175.2701 38 G 4.0691 8.9298 106.1278 46.3297 0.0000 175.1052 39 T 4.0910 8.5105 118.4443 66.0827 68.2996 177.6841 40 G 3.8383 8.4090 107.9684 47.6347 0.0000 175.5017 41 A 3.9082 8.1876 122.8994 55.0651 18.3375 179.1406 42 E 3.8570 8.1087 117.3788 59.4254 29.4930 178.8723 43 A 4.0849 8.0239 119.6333 54.3861 18.5052 178.4991 44 L 4.4739 7.5545 115.0223 54.0275 42.0755 177.0645 45 G 3.7948 8.0679 107.3477 46.1779 0.0000 173.2277 46 L 4.3658 7.6862 120.0282 52.4827 42.6983 176.3597 47 S 4.7772 8.4428 116.8850 58.1154 66.7234 175.8597 48 G 3.9219 8.8119 108.1225 45.2190 0.0000 172.3851 49 D 4.6791 8.6870 120.9100 54.9690 40.9754 176.7404 50 V 3.8404 8.6204 122.7657 61.8475 32.7463 174.7096 51 E 3.8776 9.1877 130.4248 55.7549 30.2534 177.3196 52 S 4.0707 8.7163 124.3910 60.9472 62.8596 176.5426 53 A 3.9197 7.7417 123.9633 54.8077 18.1357 179.4650 54 R 4.0349 7.9438 116.7438 59.2738 30.1905 178.0977 55 F 4.5059 8.7075 120.7459 61.6956 39.4790 177.3803 56 K 3.7030 8.3223 117.8051 59.2164 31.6526 179.2977 57 E 3.9858 8.1523 118.9710 59.4901 29.3724 179.4483 58 L 3.8849 8.0264 119.0135 57.2678 41.3956 178.9318 59 L 3.8695 7.4884 120.0276 58.1675 41.8909 178.8878 60 V 4.2732 7.0108 107.2895 60.7832 32.0076 176.6160 61 G 3.7667 8.0550 106.8774 46.0592 0.0000 173.8050 62 E 4.3299 8.0438 122.2790 54.4203 28.1525 176.2419 63 I 3.5608 8.1920 126.2671 63.4843 37.5060 175.8061 64 D 4.5757 7.3750 116.9387 52.2551 41.9532 175.7095 65 T 3.7313 8.3153 115.0677 66.1010 68.2151 175.2936 66 F 4.7788 8.4241 117.8591 57.6655 39.6663 176.2838 67 T 4.6304 8.1355 118.4629 61.8733 70.3132 170.7829 68 H 5.2233 8.4659 121.4181 53.7280 30.5813 174.5113 69 M 4.1908 9.2845 126.7218 56.3619 32.7084 177.4560 70 Q 4.5179 8.7610 121.4466 53.8560 28.1344 174.5045 71 R 4.7513 8.3022 125.1910 55.4673 31.0262 175.8664 72 H 4.9761 8.3604 116.7647 54.9815 31.5782 176.0917 73 V 4.6067 8.7365 119.7667 57.8398 33.1310 170.3958 74 G 4.0464 8.0164 119.9630 44.3490 0.0000 174.3444 75 D 4.3749 8.8075 125.1237 53.1067 40.1001 175.8639 76 A 3.6574 8.5688 127.1122 53.6768 17.3005 179.0723 77 K 4.3056 7.9873 113.6570 58.2364 33.2006 178.1184 78 K 3.7745 7.6756 118.0621 56.3033 32.5337 176.5291 79 E 3.8735 7.8252 120.8252 56.2882 29.9065 175.8534 80 R 4.3638 8.4288 125.4249 55.7125 31.3031 176.2691 81 L 4.3924 9.5276 122.6945 53.8836 43.2254 176.9114 82 G 3.6927 6.3997 103.8928 45.6815 0.0000 169.5376 83 Y 4.9141 6.9119 117.0661 56.2567 42.0502 174.5729 84 D 4.9700 9.2387 125.9314 53.4710 42.3034 175.6150 85 L 4.7000 8.8144 128.4713 54.1006 42.5348 176.0813 86 T 4.7096 8.6016 122.6465 62.0870 70.2379 174.1545 87 F 4.8120 8.8261 126.6602 56.0562 40.5633 175.1641 88 S 5.3267 8.6101 120.7011 56.3783 64.5799 174.4835 89 A 4.5708 8.7666 126.6503 50.5257 19.0722 175.6548 90 P 4.2819 0.0000 0.0000 62.5464 32.3238 178.0403 91 K 4.0264 8.6423 119.6368 59.7094 31.9633 180.0283 92 G 3.5346 8.7596 106.4142 46.5713 0.0000 175.9265 93 V 3.5300 7.8163 120.5935 65.9905 31.5596 178.3552 94 S 4.1051 8.2934 115.0863 61.7758 62.5544 176.5569 95 M 3.9823 8.1744 121.4817 58.4359 31.7125 178.6113 96 Q 3.9762 8.1704 119.3600 59.0375 29.1010 178.1769 97 A 4.0711 8.1276 121.7184 55.0633 18.2756 179.1716 98 L 4.2122 8.1907 115.5179 56.4210 42.5433 178.3382 99 I 3.9673 7.7159 118.9611 63.9294 37.4047 176.6031 100 H 4.6381 8.0927 113.9348 55.1988 29.0790 175.0959 101 G 3.8813 7.9207 107.0971 46.0358 0.0000 173.8326 102 D 4.5982 7.9713 120.7872 52.8588 40.8428 176.9008 103 K 4.1029 8.5699 127.5858 59.2474 32.0026 179.4044 104 T 3.9266 8.2955 116.6837 66.6540 68.2964 176.5303 105 I 3.5961 7.6019 121.0444 64.3303 37.1196 178.5054 106 I 3.6697 7.6701 120.1204 64.3441 36.9968 177.8567 107 E 3.8962 8.1899 119.8542 59.2049 29.4643 178.6768 108 A 3.9634 8.1999 120.8969 55.4249 18.3894 178.9859 109 H 4.1305 8.5600 117.0882 59.7001 29.8894 177.3956 110 E 3.9010 8.3643 120.2079 59.1078 29.1603 179.4627 111 K 3.9251 8.2563 118.6309 59.2438 32.0863 179.2422 112 A 3.8737 8.0856 121.1506 54.9718 18.2662 179.7766 113 V 2.8848 7.9635 116.7084 65.9505 31.5365 178.0103 114 A 4.2189 8.3501 121.6636 54.4997 18.2038 179.4030 115 A 3.8852 8.1922 119.0973 55.3438 18.3976 179.7483 116 A 3.9603 7.9235 119.2480 55.1782 18.4656 179.9942 117 V 3.6002 8.1663 117.2049 66.3293 31.3978 178.4714 118 R 3.9905 7.9673 116.6742 59.3106 30.2709 178.6290 119 E 4.1333 8.4120 118.2010 59.3675 29.4051 179.1486 120 A 4.0737 8.4355 121.1834 55.1956 18.4900 179.2573 121 E 3.9076 8.2507 117.6386 59.3098 29.4520 179.0876 122 K 4.1323 7.8287 117.2320 58.3614 32.1389 178.0434 123 L 4.4725 7.6966 117.2896 53.4379 42.7296 176.3464 124 A 4.2755 7.4494 123.1593 52.2469 19.4401 176.9152 125 Q 5.1098 8.5715 119.1344 54.5667 33.9056 173.5823 126 A 5.0142 8.7924 121.7574 50.3783 23.0854 175.6941 127 R 4.5766 8.5713 118.8163 56.2769 31.4522 176.0380 128 T 4.7961 9.3081 120.8699 62.8198 73.7413 173.8392 129 T 4.9474 8.6546 116.9960 60.0996 70.5035 175.1744 130 R 4.4482 8.7511 127.0038 54.2001 31.9023 169.3096 133 K 4.0634 8.2703 128.8967 55.3519 31.3995 181.6025 134 S 4.8281 8.5592 121.0091 56.7503 63.1925 170.0656 135 V 4.5139 8.9297 125.2595 60.4730 34.6170 174.2245 136 T 4.8188 8.6256 124.6077 62.7023 69.6682 173.6829 137 Q 4.5438 8.9641 128.8813 54.2792 31.2153 174.1656 138 N 5.0992 8.8492 124.6345 53.7168 38.4343 174.7458 139 T 4.2118 8.7563 114.0284 60.1181 71.3454 174.7659 140 N 4.6977 8.3632 119.0076 53.8040 37.5525 172.8808 141 N 5.7885 7.6005 111.6460 50.6493 40.5636 173.5069 142 L 5.0563 8.9991 121.0814 52.9019 46.6516 175.2179 143 V 4.8149 8.4981 120.3402 61.3715 33.9783 174.4055 144 V 5.2252 9.0991 127.5658 61.1445 34.9858 173.7144 145 A 4.9482 9.4140 129.8753 50.3287 21.2998 175.1014 146 T 5.1297 8.6276 113.7363 60.1685 71.8571 173.8963 147 F 4.9935 9.2482 122.5241 55.7578 42.5360 173.8340 148 R 4.7703 9.4682 125.7162 55.8997 31.2718 175.0942 149 H 5.0759 9.3105 123.7756 54.2569 31.4510 173.1569 150 E 4.3988 9.0239 123.2522 55.0722 30.5847 175.4665 151 T 4.2359 8.8630 124.7090 62.4293 67.9720 176.0486 152 S 4.5926 7.8743 129.6069 56.6260 61.9822 173.9107 153 R 4.5295 7.3940 118.5164 54.6314 31.3714 177.1593 154 A 3.9476 8.5986 123.4594 54.8073 18.5122 177.3900 155 L 4.1473 7.6521 117.5239 54.4734 41.2716 174.0094 156 D 4.2781 8.3914 126.0506 53.2876 38.3641 171.7612 157 P 4.5682 0.0000 0.0000 63.0500 32.9508 176.9155 158 D 4.5889 8.9131 122.3974 52.6972 44.3283 173.5279 159 L 5.0984 8.7045 129.6447 53.9227 43.7743 174.9719 160 H 5.3989 8.6758 120.1953 54.9389 32.8015 172.3203 161 T 5.0991 8.8826 115.3524 62.1799 72.2940 172.9887 162 H 4.9067 9.5884 124.1825 55.1740 30.2440 174.5187 163 A 4.8624 9.2295 127.8217 50.3984 19.9915 175.1348 164 F 4.8645 9.6429 125.3612 58.2691 40.6535 174.8883 165 V 4.4797 8.5272 128.7684 62.1096 32.1277 175.4272 166 M 4.4437 9.0332 128.9020 55.2326 32.7460 177.0676 167 N 4.9792 8.4118 121.8661 51.9105 37.0166 173.3583 168 M 5.2706 7.7398 116.4267 54.9635 34.6865 175.2476 169 T 4.8323 9.0592 113.4313 61.2079 71.6367 171.9721 170 Q 3.7188 8.7141 129.8905 54.9775 29.6800 176.1203 171 R 4.3066 8.7136 126.3075 55.0011 31.2871 177.0559 172 E 3.8156 9.2685 120.6691 59.5249 29.4437 177.3650 173 D 4.4910 7.9322 114.9930 53.4182 39.5476 177.0921 174 G 3.8050 8.0496 108.6263 45.4628 0.0000 173.7757 175 Q 4.3359 8.1409 119.8893 55.0305 30.2567 175.1158 176 W 4.9478 8.7769 123.7561 56.3899 30.0996 175.8463 177 R 4.9452 9.2258 122.6351 53.8481 34.5684 174.5324 178 A 4.7300 8.5399 121.8580 51.5576 19.1079 177.6230 179 L 4.2719 8.6773 121.3384 54.6907 42.9585 177.5045 180 K 4.2599 9.0967 125.5771 55.3895 31.4591 176.6432 181 N 4.4883 8.5428 124.1747 53.4006 37.7217 176.0168 182 D 4.3565 7.5500 121.9904 58.0794 40.7993 178.6819 183 E 3.9409 7.9953 116.6047 59.1777 29.8473 178.6154 184 L 4.0446 7.8041 119.8059 58.6241 41.9253 178.7457 185 M 4.0071 7.9501 117.5617 58.1221 31.9948 178.1269 186 R 4.3532 7.6376 112.5397 56.6553 30.1600 176.4188 187 N 4.9878 7.7358 117.1389 53.1768 39.5913 176.6052 188 K 3.8679 8.2213 121.7170 59.9399 32.2400 178.1113 189 M 4.0560 7.9991 117.9124 58.8075 32.2104 177.3922 190 H 4.2087 8.2281 117.8678 59.4690 30.1332 177.1170 191 L 4.1481 8.3016 120.9854 57.6614 41.3323 179.7205 192 G 3.8209 8.3497 105.8253 48.0900 0.0000 175.5579 193 D 4.4690 8.3811 121.2767 56.7875 40.7097 179.0266 194 V 3.5665 7.9377 119.1135 66.0436 31.1501 177.3404 195 Y 4.1354 8.1084 119.2159 60.5952 38.6931 177.8766 196 K 3.9473 8.4946 120.6098 59.8468 32.3147 178.7183 197 Q 3.9607 8.5436 118.5641 58.9609 28.5789 178.4614 198 E 3.8467 8.3797 120.5861 58.8619 29.5726 178.6172 199 L 3.7441 7.9058 120.4787 58.0218 42.0925 178.7706 200 A 3.2551 7.5848 120.5963 54.8584 18.0615 179.5911 201 L 3.8575 7.9062 117.4862 57.9624 41.7023 179.6711 202 E 3.9420 8.2650 118.5533 59.4144 29.3799 179.4283 203 L 4.1646 8.0557 119.1082 58.1371 41.7853 179.7513 204 T 3.9196 8.1722 115.9028 66.5988 68.1608 176.9024 205 K 3.9890 8.1708 119.4404 59.3088 32.1913 178.7487 206 A 4.2427 7.9496 119.0010 52.8718 18.5070 178.1379 207 G 3.9172 7.6335 105.0592 44.9300 0.0000 173.5536 208 Y 4.3042 7.7789 117.2723 57.5228 38.9422 174.7935 209 E 4.4316 8.8858 123.9824 55.5710 31.0479 175.0849 210 L 5.2059 8.5827 126.1110 52.9789 45.1668 175.4660 211 R 4.5860 8.9634 121.4608 54.8956 32.4121 174.0721 212 Y 5.0356 8.7509 123.8538 56.7323 40.1398 174.7231 213 N 4.8609 9.2556 123.5101 52.0729 39.5467 175.7760 214 S 4.2578 8.8512 122.4226 60.9777 63.8372 175.8251 215 K 4.0718 8.3012 121.4250 59.2891 31.9814 177.1763 216 N 4.5789 8.7556 113.4731 52.6456 39.2979 174.2398 217 N 4.2502 8.1574 116.0565 55.2753 37.7627 172.0751 218 T 5.1482 7.5951 107.1751 60.0845 73.0497 172.6870 219 F 5.2552 8.3163 114.5761 56.2184 41.1987 172.4373 220 D 4.1999 8.6848 118.3486 52.8573 45.0792 173.8104 221 M 4.4072 8.5210 118.9964 55.4154 32.3709 177.8813 222 A 3.6487 8.9321 125.3343 54.8355 19.1838 177.7489 223 H 4.7962 8.2726 113.7072 52.7832 29.1168 172.9768 *224 F 5.0959 8.5650 132.9706 58.1627 40.1724 175.2643 225 S 4.5153 7.4575 119.5095 58.3041 61.6268 179.1781 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 -2 S 8.43 4.38 0.00 3.93 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 -1 N 8.63 4.25 0.00 2.85 2.77 0.00 0.00 6.52 6.57 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 A 7.39 4.24 1.20 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 0.00 0.00 1 M 8.89 4.40 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.78 0.00 2 L 7.66 4.80 0.00 1.38 1.38 -0.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.66 4.96 0.00 2.53 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 4 I 8.20 4.90 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.92 0.00 0.00 5 T 8.72 4.62 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 1.25 0.00 0.00 6 T 8.69 4.50 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 1.21 0.00 0.00 7 I 8.76 4.64 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.95 0.00 0.00 8 T 8.91 4.96 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 1.19 0.00 0.00 9 R 7.98 3.92 0.00 2.01 2.04 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 10 Q 7.93 4.14 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.24 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 11 N 8.01 5.02 0.00 2.74 2.93 0.00 0.00 6.70 8.74 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 12 V 7.75 3.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.88 0.00 0.00 13 T 7.39 3.16 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 0.93 0.00 0.00 14 S 7.74 4.40 0.00 3.99 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 15 V 7.42 3.74 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 0.84 0.00 0.00 0.71 0.00 0.00 16 V 7.87 3.31 1.50 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 -0.17 0.00 0.00 0.47 0.00 0.00 17 G 8.18 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 0.00 0.00 0.00 18 Y 7.58 4.03 0.00 2.95 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 19 Y 7.86 4.64 0.00 3.06 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 20 S 8.14 4.69 0.00 3.76 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 21 D 8.45 4.64 0.00 2.72 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 22 A 8.70 3.99 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 23 K 7.98 4.17 0.00 1.87 1.94 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.46 7.81 24 D 7.78 5.01 0.00 2.74 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 25 D 8.70 4.36 0.00 2.80 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 0.00 0.00 0.00 0.00 26 Y 7.59 4.87 0.00 2.90 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 27 Y 8.08 4.30 0.00 3.23 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 28 S 7.92 4.86 0.00 3.92 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 29 K 8.06 4.06 0.00 1.77 1.60 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.03 7.81 30 D 9.28 4.49 0.00 2.77 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 31 S 7.68 4.64 0.00 3.94 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 32 S 8.30 4.73 0.00 3.78 3.74 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 33 F 8.48 4.30 0.00 3.02 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 34 T 8.07 5.46 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 1.05 0.00 0.00 35 S 7.74 4.83 0.00 3.99 3.90 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 36 W 8.48 5.14 0.00 3.27 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 37 Q 9.93 4.67 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.40 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 38 G 8.93 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 0.00 0.00 0.00 39 T 8.51 4.09 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 1.24 0.00 0.00 40 G 8.41 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 41 A 8.19 3.91 1.51 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 42 E 8.11 3.86 0.00 2.09 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 0.00 2.34 2.40 0.00 43 A 8.02 4.08 1.56 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 44 L 7.55 4.47 0.00 1.55 1.46 0.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.07 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 0.00 0.00 0.00 46 L 7.69 4.37 0.00 1.08 0.13 -0.27 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.44 4.78 0.00 4.01 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 48 G 8.81 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 49 D 8.69 4.68 0.00 2.58 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 50 V 8.62 3.84 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 0.48 0.00 0.00 -0.20 0.00 0.00 51 E 9.19 3.88 0.00 1.78 1.83 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 2.13 1.79 0.00 52 S 8.72 4.07 0.00 3.61 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 53 A 7.74 3.92 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 54 R 7.94 4.03 0.00 1.99 2.32 0.00 3.38 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 55 F 8.71 4.51 0.00 3.33 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 56 K 8.32 3.70 0.00 1.89 1.64 0.00 1.58 0.00 0.00 1.31 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.74 7.81 57 E 8.15 3.99 0.00 2.13 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 0.00 2.26 2.50 0.00 58 L 8.03 3.88 0.00 1.87 1.70 0.77 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.49 3.87 0.00 1.10 1.69 0.71 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.01 4.27 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 0.79 0.00 0.00 0.99 0.00 0.00 61 G 8.05 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 0.00 0.00 0.00 62 E 8.04 4.33 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 63 I 8.19 3.56 1.86 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.60 0.00 0.00 64 D 7.38 4.58 0.00 2.80 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 65 T 8.32 3.73 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 0.89 0.00 0.00 66 F 8.42 4.78 0.00 3.10 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 67 T 8.14 4.63 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 1.28 0.00 0.00 68 H 8.47 5.22 0.00 2.99 3.24 0.00 5.90 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 69 M 9.28 4.19 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.59 0.00 70 Q 8.76 4.52 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.52 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 71 R 8.30 4.75 0.00 1.71 1.93 0.00 3.15 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 72 H 8.36 4.98 0.00 3.14 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.74 4.61 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 74 G 8.02 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 75 D 8.81 4.37 0.00 2.62 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 76 A 8.57 3.66 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 77 K 7.99 4.31 0.00 2.07 2.07 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.55 7.81 78 K 7.68 3.77 0.00 1.87 1.91 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 79 E 7.83 3.87 0.00 1.55 1.78 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 2.22 2.10 0.00 80 R 8.43 4.36 0.00 1.81 1.64 0.00 3.37 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 81 L 9.53 4.39 0.00 1.72 1.89 0.92 0.99 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 82 G 6.40 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 83 Y 6.91 4.91 0.00 2.73 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 84 D 9.24 4.97 0.00 3.07 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 85 L 8.81 4.70 0.00 1.90 1.28 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.60 4.71 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 87 F 8.83 4.81 0.00 2.59 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 0.00 0.00 0.00 88 S 8.61 5.33 0.00 3.89 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 89 A 8.77 4.57 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 90 P 0.00 4.28 0.00 2.04 1.69 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.75 0.00 91 K 8.64 4.03 0.00 1.75 1.82 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.47 7.81 92 G 8.76 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.82 3.53 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 1.00 0.00 0.00 0.87 0.00 0.00 94 S 8.29 4.11 0.00 4.05 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 95 M 8.17 3.98 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 96 Q 8.17 3.98 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 97 A 8.13 4.07 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 98 L 8.19 4.21 0.00 1.60 1.73 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 99 I 7.72 3.97 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.83 0.00 0.00 100 H 8.09 4.64 0.00 3.37 3.33 0.00 5.84 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 0.00 101 G 7.92 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 0.00 102 D 7.97 4.60 0.00 2.80 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 0.00 103 K 8.57 4.10 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.48 7.81 104 T 8.30 3.93 4.45 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 1.39 0.00 0.00 105 I 7.60 3.60 1.92 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.83 0.86 0.00 0.00 106 I 7.67 3.67 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.13 0.80 0.00 0.00 107 E 8.19 3.90 0.00 2.05 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 2.31 2.32 0.00 108 A 8.20 3.96 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 0.00 109 H 8.56 4.13 0.00 3.30 3.59 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.36 3.90 0.00 2.01 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 2.49 2.44 0.00 111 K 8.26 3.93 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.62 7.81 112 A 8.09 3.87 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 0.00 113 V 7.96 2.88 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.70 0.00 0.00 114 A 8.35 4.22 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 0.00 115 A 8.19 3.89 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 0.00 116 A 7.92 3.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.17 3.60 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 1.10 0.00 0.00 1.04 0.00 0.00 118 R 7.97 3.99 0.00 1.97 2.00 0.00 3.23 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.03 0.00 119 E 8.41 4.13 0.00 2.18 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 2.35 2.48 0.00 120 A 8.44 4.07 1.43 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 0.00 121 E 8.25 3.91 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 122 K 7.83 4.13 0.00 2.01 1.88 0.00 2.02 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 123 L 7.70 4.47 0.00 1.71 1.69 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.45 4.28 1.33 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 0.00 0.00 125 Q 8.57 5.11 0.00 1.96 1.94 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 2.49 2.53 0.00 126 A 8.79 5.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.57 4.58 0.00 1.73 1.87 0.00 3.17 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 128 T 9.31 4.80 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 129 T 8.65 4.95 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 0.00 130 R 8.75 4.45 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.00 133 K 8.27 4.06 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 0.99 7.81 134 S 8.56 4.83 0.00 3.62 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 0.00 135 V 8.93 4.51 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 0.92 0.00 0.00 0.99 0.00 0.00 136 T 8.63 4.82 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 0.00 137 Q 8.96 4.54 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 138 N 8.85 5.10 0.00 2.64 2.76 0.00 0.00 7.00 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.76 4.21 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 1.27 0.00 0.00 140 N 8.36 4.70 0.00 2.82 2.88 0.00 0.00 6.76 7.79 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 0.00 141 N 7.60 5.79 0.00 2.83 2.72 0.00 0.00 6.71 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 9.00 5.06 0.00 1.68 1.67 0.99 0.87 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 0.00 143 V 8.50 4.81 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 1.17 0.00 0.00 1.03 0.00 0.00 144 V 9.10 5.23 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 0.92 0.00 0.00 1.08 0.00 0.00 145 A 9.41 4.95 1.02 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 0.00 146 T 8.63 5.13 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 1.25 0.00 0.00 147 F 9.25 4.99 0.00 2.71 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 0.00 148 R 9.47 4.77 0.00 1.96 1.82 0.00 3.12 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 149 H 9.31 5.08 0.00 2.70 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 9.02 4.40 0.00 2.00 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 0.00 2.23 2.47 0.00 151 T 8.86 4.24 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 1.22 0.00 0.00 152 S 7.87 4.59 0.00 3.62 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 R 7.39 4.53 0.00 1.90 1.94 0.00 3.01 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 154 A 8.60 3.95 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 0.00 155 L 7.65 4.15 0.00 1.61 1.61 0.91 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.39 4.28 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 P 0.00 4.57 0.00 1.95 1.96 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.25 0.00 158 D 8.91 4.59 0.00 2.71 2.53 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 0.00 0.00 0.00 0.00 159 L 8.70 5.10 0.00 1.78 1.47 0.83 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.68 5.40 0.00 3.34 3.32 0.00 5.26 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 0.00 161 T 8.88 5.10 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 1.28 0.00 0.00 162 H 9.59 4.91 0.00 3.15 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 9.23 4.86 1.51 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 0.00 164 F 9.64 4.86 0.00 3.43 3.48 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 0.00 165 V 8.53 4.48 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 1.08 0.00 0.00 1.00 0.00 0.00 166 M 9.03 4.44 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 3.08 0.00 167 N 8.41 4.98 0.00 2.85 2.72 0.00 0.00 6.83 7.76 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 0.00 168 M 7.74 5.27 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.62 0.00 169 T 9.06 4.83 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 1.36 0.00 0.00 170 Q 8.71 3.72 0.00 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.72 0.00 0.00 0.00 0.00 0.00 1.82 1.27 0.00 171 R 8.71 4.31 0.00 2.03 1.77 0.00 3.17 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 172 E 9.27 3.82 0.00 1.94 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 2.22 0.00 173 D 7.93 4.49 0.00 2.80 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 0.00 174 G 8.05 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 0.00 175 Q 8.14 4.34 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 176 W 8.78 4.95 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 R 9.23 4.95 0.00 1.70 1.81 0.00 3.34 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 178 A 8.54 4.73 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.68 4.27 0.00 1.89 1.68 1.08 1.03 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 0.00 180 K 9.10 4.26 0.00 1.78 1.72 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.38 7.81 181 N 8.54 4.49 0.00 2.54 2.90 0.00 0.00 6.15 8.07 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 0.00 182 D 7.55 4.36 0.00 2.89 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 0.00 183 E 8.00 3.94 0.00 2.04 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 2.38 2.30 0.00 184 L 7.80 4.04 0.00 1.63 1.61 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 185 M 7.95 4.01 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 186 R 7.64 4.35 0.00 1.99 2.02 0.00 3.01 0.00 0.00 3.40 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.72 0.00 187 N 7.74 4.99 0.00 3.01 2.88 0.00 0.00 6.59 7.70 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 0.00 188 K 8.22 3.87 0.00 1.79 1.79 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.43 7.81 189 M 8.00 4.06 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 190 H 8.23 4.21 0.00 3.30 3.49 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.30 4.15 0.00 1.81 1.91 0.98 0.87 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 0.00 192 G 8.35 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 D 8.38 4.47 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 V 7.94 3.57 2.25 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 1.09 0.00 0.00 0.82 0.00 0.00 195 Y 8.11 4.14 0.00 2.99 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 0.00 196 K 8.49 3.95 0.00 2.13 2.08 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.70 1.79 7.81 197 Q 8.54 3.96 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 198 E 8.38 3.85 0.00 2.14 1.83 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 2.25 2.29 0.00 199 L 7.91 3.74 0.00 1.33 1.66 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 200 A 7.58 3.26 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 7.91 3.86 0.00 1.79 1.68 0.88 0.79 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 0.00 202 E 8.27 3.94 0.00 2.05 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 2.43 2.45 0.00 203 L 8.06 4.16 0.00 1.64 1.77 0.99 0.39 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 0.00 204 T 8.17 3.92 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 1.23 0.00 0.00 205 K 8.17 3.99 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.68 7.81 206 A 7.95 4.24 1.50 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 0.00 0.00 207 G 7.63 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 0.00 208 Y 7.78 4.30 0.00 3.04 2.91 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 0.00 209 E 8.89 4.43 0.00 2.10 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 2.36 2.38 0.00 210 L 8.58 5.21 0.00 1.25 1.39 0.60 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 211 R 8.96 4.59 0.00 1.75 1.69 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 212 Y 8.75 5.04 0.00 2.95 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 0.00 213 N 9.26 4.86 0.00 2.76 2.76 0.00 0.00 6.81 7.21 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 0.00 214 S 8.85 4.26 0.00 4.04 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 0.00 215 K 8.30 4.07 0.00 1.76 2.05 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.48 7.81 216 N 8.76 4.58 0.00 2.85 2.87 0.00 0.00 7.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 N 8.16 4.25 0.00 2.88 2.92 0.00 0.00 6.92 7.00 0.00 0.00 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 T 7.60 5.15 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 1.26 0.00 0.00 219 F 8.32 5.26 0.00 2.49 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 D 8.68 4.20 0.00 2.50 2.39 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 0.00 221 M 8.52 4.41 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.50 0.00 222 A 8.93 3.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 H 8.27 4.80 0.00 3.14 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *224 F 8.56 5.10 0.00 2.22 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 0.00 0.00 0.00 0.00 225 S 7.46 4.52 0.00 3.56 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.