NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1717 8.2544 119.7120 55.9516 31.0362 174.8358 *7 R 4.2358 8.2917 123.7031 57.2095 31.3086 174.7929 8 F 5.4954 8.2619 119.9462 55.5219 41.8078 175.0386 9 T 4.4353 8.9339 115.8712 62.3352 72.0056 173.1508 10 I 4.4913 8.4864 128.1912 60.1471 38.1380 175.7824 11 D 4.3890 8.5696 127.6258 55.1167 40.9420 176.2048 12 Q 4.3135 8.7784 123.5895 57.3057 30.4117 176.0448 13 N 4.5545 7.4485 115.6744 52.4570 37.7519 174.9111 *15 Q 3.9563 7.8000 120.1305 55.1452 31.0972 174.3086 16 F 4.7537 7.5352 116.9928 54.5769 39.5363 173.2808 17 P 4.4770 0.0000 0.0000 62.4339 32.1743 175.5695 18 L 5.0291 8.3077 121.1240 53.1968 45.7668 175.0745 19 V 4.8133 8.4228 123.6781 60.0050 34.0119 174.0946 20 E 4.8031 8.9866 125.5597 55.0264 31.3827 175.1632 21 I 4.9898 9.0308 125.3910 59.5815 40.4744 174.0886 22 D 5.3883 9.5367 127.8493 52.6121 42.7303 175.7415 23 L 4.7916 8.9390 123.8697 52.9336 44.6351 176.5642 24 E 4.7631 8.6777 122.8854 55.2967 31.6577 175.4621 25 H 4.4676 8.1452 119.9779 57.3838 30.0176 175.5680 26 G 3.8209 8.6521 114.4847 45.3854 0.0000 173.8414 27 G 4.0496 7.9920 107.4074 46.1310 0.0000 173.2477 28 S 5.5196 8.5601 114.9582 56.4376 67.3276 172.7814 29 V 4.8018 7.8032 117.7710 60.8026 34.5464 172.7212 30 Y 4.9952 9.3699 122.3639 57.5853 39.4481 174.5156 31 L 5.2175 9.4976 122.6271 53.6834 44.8033 175.2858 32 Q 4.3801 8.6696 122.4849 56.3656 29.9830 175.8040 33 Q 4.0743 8.9322 128.1838 58.0574 29.3817 177.0670 34 G 3.9525 8.9874 112.7412 45.5806 0.0000 174.3908 35 S 4.3419 7.9100 115.7975 57.4585 61.6206 174.5984 *37 V 3.9976 8.0226 127.5784 63.1847 33.2078 174.7412 38 Y 4.7726 7.0153 113.6130 57.0377 40.6895 172.3540 39 H 5.2002 8.2816 114.4598 54.6417 31.1725 173.6691 40 T 4.1936 8.7334 111.8514 61.1620 69.4462 175.0660 41 E 3.9495 8.8817 123.7248 59.5787 29.7413 177.6033 42 N 4.6234 8.2260 113.1414 53.1955 37.5238 173.5368 43 V 4.5292 7.7849 119.8995 61.7366 33.0327 174.6402 44 T 4.5545 8.4311 122.3506 60.1730 70.1228 172.2980 45 L 4.8244 8.3911 130.1329 53.6878 43.3911 174.7032 46 N 5.1842 9.3506 125.8889 52.0844 41.8246 173.2695 47 T 5.0570 8.1631 113.6787 59.8487 72.3840 173.5690 48 K 4.2709 8.7712 118.6900 57.3668 32.2762 177.5878 49 L 4.6890 7.4399 119.1327 54.4615 42.4007 177.5284 50 N 4.6107 7.9867 114.5823 52.5326 36.6321 174.1425 *55 G 3.8512 7.5136 107.3541 46.0447 0.0000 171.9983 56 L 3.9019 8.3187 123.8995 55.7335 42.4834 177.1823 57 G 3.8974 9.7741 112.6195 45.9288 0.0000 173.9558 58 K 3.9638 8.9085 123.7077 56.8082 30.1009 177.0850 59 L 4.3349 7.3807 120.2085 57.0853 40.9646 178.6697 60 V 3.7449 7.7630 119.1899 65.4806 31.5420 177.8203 61 G 3.7359 7.9505 104.9530 47.0283 0.0000 175.6728 62 A 3.9669 7.4887 123.2407 55.3202 18.2484 179.8557 63 I 3.7867 7.7176 117.1440 64.2508 37.2066 178.5201 64 G 3.8190 8.0834 106.1735 48.1172 0.0000 175.7259 65 R 4.1695 8.2110 120.8402 58.2566 30.1388 178.7278 66 S 5.1313 7.9485 112.8071 57.7764 62.6119 176.5270 *68 V 4.0854 7.8653 122.4383 62.7443 33.1703 176.4085 69 S 4.1430 8.1280 114.2269 58.8541 63.2833 175.7347 70 G 3.7111 8.1209 109.1429 45.8575 0.0000 173.4068 71 E 4.3127 7.7587 118.3743 55.4068 31.1326 175.8443 72 S 4.8697 8.4921 115.3871 57.5485 64.0818 174.8997 *74 F 4.7465 8.4561 121.1852 57.1988 41.3936 174.1999 75 I 5.1980 7.9138 119.2300 59.8315 40.0761 174.9649 76 T 4.7433 9.0761 116.9283 59.8926 72.5456 172.6377 77 Q 4.9145 8.8958 121.5602 54.4227 32.6167 174.2629 78 A 5.3190 8.5624 127.6249 49.5097 22.7663 174.9770 *80 S 4.4135 8.2634 111.6304 58.6291 63.8530 172.3545 81 N 5.1249 9.2174 126.6090 52.9115 38.4923 174.0807 82 G 3.8169 8.6933 111.5599 43.3966 0.0000 168.9041 83 D 4.8649 8.4783 119.3532 54.2526 41.3443 176.3656 84 G 4.4001 9.5179 110.4231 44.4010 0.0000 171.1049 85 K 5.4666 8.9905 118.2866 54.8157 36.8963 175.6629 86 L 4.9527 8.5835 120.9686 54.8506 44.5331 173.8123 87 A 4.9677 8.4633 121.3352 50.0827 22.3210 175.1698 88 L 5.1795 8.7559 120.6239 52.8022 45.6973 175.4618 89 A 4.9958 8.7252 122.7133 49.4494 21.6579 174.7828 90 P 4.3238 0.0000 0.0000 62.4583 32.0093 176.4739 91 N 4.6125 8.5557 117.4969 53.8926 37.9705 175.0421 92 T 4.5966 7.3249 108.3103 58.8294 71.9431 171.8050 93 P 4.3424 0.0000 0.0000 62.8020 32.4759 175.0594 94 G 4.6968 7.8055 113.0017 46.2524 0.0000 171.2043 95 Q 4.8222 8.2903 122.7310 54.0384 33.3409 174.2571 96 I 5.0891 8.2245 119.8486 59.5543 40.6658 175.7491 97 V 4.4188 8.7211 124.9345 59.7731 34.4722 174.0364 98 A 4.8235 8.5020 125.6128 50.2300 20.8537 175.9205 99 L 4.6171 8.6809 122.3529 52.5436 45.1206 175.5994 100 E 4.4983 8.9934 125.2394 56.0686 30.0741 175.5172 101 L 4.8306 9.8081 127.1674 53.7522 43.6753 176.9522 102 G 4.5688 8.6774 116.0394 46.8239 0.0000 174.6799 103 E 4.1747 9.3500 124.4167 58.0199 30.7173 177.1302 104 K 4.5528 7.5304 118.4561 54.4845 35.0228 174.8602 105 Q 4.9854 7.8608 119.6258 54.6066 33.7623 173.3505 106 Y 4.9504 8.8455 116.5282 56.6691 42.9805 174.6279 107 R 4.6069 8.3054 119.4545 54.3504 33.1335 175.1919 108 L 4.9953 7.6227 120.0423 53.0521 46.5430 175.8722 109 N 4.8395 8.8135 119.0991 52.4462 40.4431 174.5235 110 D 4.5792 8.6136 120.6031 56.1446 41.2251 177.3433 111 G 3.9498 9.0697 112.2559 45.3516 0.0000 174.0503 112 A 4.4669 7.8791 121.2555 52.8601 19.0707 177.1146 113 F 4.5954 8.0339 118.4538 57.9534 40.4115 173.4376 114 L 4.2466 7.6441 127.7873 56.0275 44.4760 175.6500 115 A 4.7421 6.5472 117.4341 50.9806 22.9144 174.5139 116 L 5.0506 8.9424 120.4553 53.6128 46.2931 174.7349 117 D 4.7740 9.0179 126.2187 54.9752 41.4011 178.0757 118 G 4.1244 9.0212 109.9736 48.3783 0.0000 175.0176 119 S 4.3308 8.3947 113.8549 60.1835 63.5394 173.9162 120 A 4.6533 7.8028 123.0211 50.9281 20.6672 175.5847 121 Q 4.7084 9.1527 119.5676 54.9742 33.0928 173.2109 122 Y 5.1750 7.6762 118.6518 56.0528 40.9520 174.2522 123 K 4.1244 8.2918 120.7869 55.3587 35.6196 174.0260 *125 E 4.1440 8.6898 118.1737 56.2419 31.0407 176.0984 126 R 3.4645 8.2246 127.6570 55.6859 30.6852 175.9549 127 Q 4.1598 8.4686 126.1044 54.7323 29.5400 176.9357 128 N 4.4164 8.2668 121.5553 53.9353 37.4678 173.9596 129 I 3.0874 7.5584 120.6360 60.3388 38.5629 173.2757 130 G 3.7634 8.3850 109.4898 47.7482 0.0000 175.3157 *138 G 3.9020 8.3401 106.6000 44.1244 0.0000 175.8702 139 G 4.1855 9.5177 104.9423 45.0373 0.0000 172.7769 140 L 4.7526 8.2096 121.1170 53.0965 43.4916 175.0599 141 F 5.2342 9.2714 124.8607 56.0165 41.6840 175.4037 142 V 5.0855 8.2928 122.4282 60.6631 34.7454 174.0721 *144 T 4.3405 8.3122 114.5541 63.9735 69.8515 174.1231 145 T 4.8352 8.5331 116.6833 61.3708 70.8513 173.3600 146 E 4.6734 8.4760 120.9827 57.2527 33.6624 175.6487 147 G 3.7872 8.9290 111.0362 44.6872 0.0000 172.2734 148 L 5.0430 8.9429 116.8795 52.4114 43.8903 177.4584 149 G 3.9363 7.6451 107.1556 44.6043 0.0000 171.5669 150 T 5.0561 8.7975 116.7919 61.5925 71.8094 173.2840 151 L 5.0341 8.8493 127.6086 53.2103 45.0184 174.7919 152 L 4.9035 8.8505 126.0444 52.9118 43.9221 175.3551 153 A 5.1588 8.6752 126.2266 49.9737 21.8048 174.7762 154 N 5.5518 9.1661 117.0431 51.0291 41.1639 173.5005 155 S 4.8028 8.9165 114.5368 56.6199 66.9474 172.5314 156 F 4.9293 8.9927 123.2674 59.3602 40.2442 175.3740 157 G 3.5712 8.9076 115.1264 44.1411 0.0000 171.5567 158 S 4.7537 8.3180 114.1622 57.7431 64.8587 173.6069 159 I 4.9243 8.1785 122.8904 59.8908 38.8967 175.0509 160 K 4.6024 9.0083 127.1432 54.4490 35.3641 174.3859 161 K 4.5201 8.6794 128.2921 54.9348 33.6598 175.2199 162 I 4.5185 8.4198 128.2395 59.6954 40.4264 174.4806 163 T 4.9245 8.4237 122.4921 61.7957 70.8431 173.4464 164 L 4.5502 8.7945 127.0256 52.7464 43.9210 176.9610 165 D 4.8808 8.4243 123.3082 54.5289 41.7506 176.1679 166 G 3.7759 8.2344 107.2372 45.3159 0.0000 175.5798 167 G 3.9062 7.8683 109.7464 45.0515 0.0000 171.0920 168 T 5.6596 7.8330 113.2183 59.3596 70.7427 173.5390 *170 T 4.4053 8.2007 117.4390 63.6194 69.5624 174.0295 171 I 4.7071 8.5431 126.1336 58.9172 41.9586 174.3053 172 D 4.5777 8.8571 124.8306 54.9280 41.5096 176.9958 173 N 4.3270 9.1557 124.7546 56.2412 39.2126 176.4529 174 A 4.1816 8.4235 120.1719 54.5164 18.6920 177.5611 175 H 4.7286 8.4023 112.1035 55.4046 29.4077 174.1605 176 V 4.4924 7.6388 120.9381 61.8286 32.2167 175.2385 177 V 4.1879 9.1347 128.4993 64.6351 32.1618 175.1710 178 A 5.3084 8.0312 120.0481 51.0337 22.7418 174.0120 179 W 5.7243 8.7798 115.5448 55.0480 32.4440 174.2746 180 S 4.2551 9.1802 117.6291 59.1416 62.6556 175.8901 181 R 4.0554 8.5101 125.3268 59.1512 29.8742 177.7344 182 E 4.1381 8.2803 115.8262 58.4856 29.9287 177.0540 183 L 4.5129 7.5790 119.0474 54.6529 43.0160 176.0633 184 D 5.1483 9.3965 121.9911 53.5433 42.4049 175.4294 185 Y 5.6165 8.3955 119.9369 54.6063 41.9053 174.5864 186 D 4.1459 8.1630 119.6375 53.5495 44.5838 173.9288 187 I 4.7263 8.3486 128.0812 60.6499 38.3844 174.9218 188 H 5.0001 8.8422 121.4935 55.2196 32.4117 172.1867 189 L 4.7293 8.3538 120.5665 53.9295 43.0242 176.2523 190 E 4.2635 8.6732 124.0871 58.1598 30.0128 175.4610 191 N 4.6553 7.5884 113.7761 51.8118 39.8139 173.9127 192 G 3.8759 8.3922 106.7217 45.6954 0.0000 174.7950 193 F 4.2554 8.6945 118.7749 58.5525 38.7688 176.7380 *195 Q 4.2516 8.1482 122.1184 55.6263 30.6968 177.2347 196 S 4.1808 7.8966 113.9538 61.1801 62.4952 176.5629 197 I 3.6427 7.3007 122.3626 64.0849 36.8064 178.3317 198 G 3.6866 7.7992 105.6166 47.7973 0.0000 175.4548 199 T 4.1768 7.6435 111.1291 62.0000 69.0585 175.8335 200 G 3.8539 8.2029 108.5826 45.9306 0.0000 172.4825 201 E 4.5850 7.9481 118.6528 54.3185 31.2220 176.6003 202 G 4.1318 8.2290 113.3020 44.4170 0.0000 173.3248 203 V 3.9104 8.2686 111.9541 62.0576 32.7926 176.0717 204 V 4.7523 8.7506 116.7734 59.6290 35.3864 174.0679 205 N 4.9442 9.0490 120.8698 52.1540 41.3836 173.1008 206 T 4.5267 8.4081 123.7087 62.0493 70.5686 173.7350 207 F 5.4306 8.5182 124.9982 56.0512 42.1096 175.1054 208 R 4.9350 9.7886 120.9415 55.4915 34.3455 173.1850 209 G 3.9226 8.0251 108.6012 44.6726 0.0000 172.3061 210 H 5.0319 10.0932 118.6561 52.6401 31.2593 174.2156 211 G 4.1498 7.2873 111.4172 45.2791 0.0000 170.4361 212 E 5.0387 8.5031 119.1001 54.6741 32.3319 175.7870 213 I 4.6726 8.4962 123.0612 59.7534 40.9591 173.8992 214 Y 4.9798 9.3688 125.8601 56.3668 39.7003 175.1120 215 I 5.1358 8.7285 118.1906 59.0928 41.0450 174.3985 216 Q 5.2694 9.0382 121.2997 54.4177 31.0114 175.5350 217 S 4.6475 8.8060 114.9128 58.7110 63.6528 173.7817 218 L 4.6788 7.6348 119.1105 52.4683 45.2871 175.7721 219 N 4.8808 8.4506 118.7073 51.6405 40.7578 174.9872 220 L 3.9619 8.7460 130.3402 58.2746 42.2631 178.3268 221 E 3.9490 8.3192 118.7683 59.4332 29.4621 178.6726 222 Q 4.0676 8.4518 117.1440 58.8343 29.0926 178.1883 223 F 4.5355 8.7548 121.6877 61.3926 39.6570 176.9751 224 A 3.9036 8.4830 120.8124 55.1380 18.0554 179.8396 225 G 3.5882 8.0692 104.5075 48.0159 0.0000 175.8640 226 T 4.1013 7.5570 110.6528 63.8600 69.3263 176.1819 227 L 4.3283 7.4695 121.2804 56.3312 41.7531 178.7242 228 K 3.8084 7.4754 118.0162 59.7084 31.8267 179.0570 229 R 3.7306 7.7438 113.9516 59.1784 29.1767 177.2949 230 Y 4.5651 7.2746 114.0237 57.9675 38.2521 175.5036 231 L 4.3785 7.9138 126.0645 54.8265 42.3093 176.1501 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 R 8.25 4.17 0.00 1.86 1.85 0.00 3.42 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 *7 R 8.29 4.24 0.00 1.91 1.84 0.00 3.05 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 8 F 8.26 5.50 0.00 3.01 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 9 T 8.93 4.44 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 1.21 0.00 0.00 10 I 8.49 4.49 1.96 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 1.26 0.73 0.92 0.00 0.00 11 D 8.57 4.39 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.78 4.31 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.43 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 13 N 7.45 4.55 0.00 2.76 2.78 0.00 0.00 6.90 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 Q 7.80 3.96 0.00 1.73 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 16 F 7.54 4.75 0.00 3.11 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 17 P 0.00 4.48 0.00 2.18 2.06 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 18 L 8.31 5.03 0.00 1.79 1.53 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.42 4.81 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 0.58 0.00 0.00 0.96 0.00 0.00 20 E 8.99 4.80 0.00 1.98 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 2.30 2.30 0.00 21 I 9.03 4.99 1.86 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 1.29 0.82 0.94 0.00 0.00 22 D 9.54 5.39 0.00 2.46 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.94 4.79 0.00 1.53 1.54 0.90 0.73 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 24 E 8.68 4.76 0.00 1.94 1.90 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 2.41 2.32 0.00 25 H 8.15 4.47 0.00 3.06 3.25 0.00 5.81 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 26 G 8.65 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 27 G 7.99 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 28 S 8.56 5.52 0.00 3.78 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 V 7.80 4.80 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 0.62 0.00 0.00 0.97 0.00 0.00 30 Y 9.37 5.00 0.00 3.18 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 31 L 9.50 5.22 0.00 1.56 1.67 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.67 4.38 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 33 Q 8.93 4.07 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 34 G 8.99 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 0.00 0.00 0.00 35 S 7.91 4.34 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 V 8.02 4.00 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 1.04 0.00 0.00 0.89 0.00 0.00 38 Y 7.02 4.77 0.00 3.10 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 39 H 8.28 5.20 0.00 3.31 3.28 0.00 5.72 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 40 T 8.73 4.19 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 1.27 0.00 0.00 41 E 8.88 3.95 0.00 1.94 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 2.31 2.40 0.00 42 N 8.23 4.62 0.00 3.15 3.05 0.00 0.00 5.74 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 43 V 7.78 4.53 2.28 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 0.68 0.00 0.00 0.96 0.00 0.00 44 T 8.43 4.55 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 1.18 0.00 0.00 45 L 8.39 4.82 0.00 1.59 1.52 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.35 5.18 0.00 2.78 2.58 0.00 0.00 6.25 7.20 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 47 T 8.16 5.06 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.59 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 122 Y 7.68 5.18 0.00 2.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.29 4.12 0.00 1.65 1.68 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.65 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *125 E 8.69 4.14 0.00 2.18 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 2.26 2.33 0.00 126 R 8.22 3.46 0.00 0.67 1.43 0.00 3.22 0.00 0.00 3.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 127 Q 8.47 4.16 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.37 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 128 N 8.27 4.42 0.00 2.64 2.74 0.00 0.00 7.05 7.94 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 0.00 129 I 7.56 3.09 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.90 0.00 0.00 130 G 8.38 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *138 G 8.34 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 0.00 0.00 0.00 139 G 9.52 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 0.00 0.00 0.00 140 L 8.21 4.75 0.00 1.75 1.55 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 141 F 9.27 5.23 0.00 3.18 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 0.00 142 V 8.29 5.09 2.24 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 0.89 0.00 0.00 1.19 0.00 0.00 *144 T 8.31 4.34 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 1.18 0.00 0.00 145 T 8.53 4.84 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 1.24 0.00 0.00 146 E 8.48 4.67 0.00 2.04 1.75 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 2.21 2.09 0.00 147 G 8.93 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 0.00 148 L 8.94 5.04 0.00 1.67 1.62 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.65 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 0.00 150 T 8.80 5.06 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 0.94 0.00 0.00 151 L 8.85 5.03 0.00 1.72 1.54 1.05 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.85 4.90 0.00 1.30 1.24 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.68 5.16 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 0.00 154 N 9.17 5.55 0.00 2.71 2.78 0.00 0.00 6.69 7.64 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 0.00 155 S 8.92 4.80 0.00 3.93 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 F 8.99 4.93 0.00 2.91 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.91 3.57 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 0.00 0.00 0.00 158 S 8.32 4.75 0.00 3.75 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 0.00 159 I 8.18 4.92 1.91 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 1.28 0.56 1.08 0.00 0.00 160 K 9.01 4.60 0.00 1.78 1.60 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.32 7.81 161 K 8.68 4.52 0.00 1.77 1.63 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.10 0.74 7.81 162 I 8.42 4.52 1.72 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 1.16 0.40 0.84 0.00 0.00 163 T 8.42 4.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 164 L 8.79 4.55 0.00 1.68 1.75 1.02 0.97 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 0.00 165 D 8.42 4.88 0.00 2.57 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 0.00 166 G 8.23 3.78 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 0.00 0.00 0.00 167 G 7.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 T 7.83 5.66 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 1.22 0.00 0.00 *170 T 8.20 4.41 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 1.20 0.00 0.00 171 I 8.54 4.71 2.03 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 1.17 0.86 0.97 0.00 0.00 172 D 8.86 4.58 0.00 2.77 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 0.00 173 N 9.16 4.33 0.00 2.83 2.82 0.00 0.00 6.65 8.23 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 0.00 174 A 8.42 4.18 1.42 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 0.00 0.00 0.00 175 H 8.40 4.73 0.00 3.40 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.64 4.49 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 0.98 0.00 0.00 1.09 0.00 0.00 177 V 9.13 4.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.02 0.00 0.00 178 A 8.03 5.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 W 8.78 5.72 0.00 3.32 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 S 9.18 4.26 0.00 3.87 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 0.00 181 R 8.51 4.06 0.00 1.69 1.86 0.00 3.26 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 182 E 8.28 4.14 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 183 L 7.58 4.51 0.00 2.14 1.95 1.02 0.99 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 0.00 184 D 9.40 5.15 0.00 2.83 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 0.00 185 Y 8.40 5.62 0.00 2.63 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 0.00 186 D 8.16 4.15 0.00 2.68 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 0.00 0.00 0.00 187 I 8.35 4.73 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.88 0.96 0.00 0.00 188 H 8.84 5.00 0.00 3.18 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.35 4.73 0.00 1.63 1.63 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 190 E 8.67 4.26 0.00 2.00 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 2.33 2.27 0.00 191 N 7.59 4.66 0.00 2.77 2.79 0.00 0.00 6.01 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 0.00 192 G 8.39 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 0.00 193 F 8.69 4.26 0.00 3.05 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 *195 Q 8.15 4.25 0.00 2.19 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 196 S 7.90 4.18 0.00 3.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 I 7.30 3.64 1.69 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.37 0.78 0.00 0.00 198 G 7.80 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 0.00 199 T 7.64 4.18 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 1.26 0.00 0.00 200 G 8.20 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 7.95 4.59 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 202 G 8.23 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 0.00 0.00 0.00 203 V 8.27 3.91 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 0.72 0.00 0.00 0.95 0.00 0.00 204 V 8.75 4.75 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 0.73 0.00 0.00 0.78 0.00 0.00 205 N 9.05 4.94 0.00 2.39 2.11 0.00 0.00 7.49 7.09 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 0.00 206 T 8.41 4.53 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 207 F 8.52 5.43 0.00 2.94 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 R 9.79 4.94 0.00 1.70 1.79 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 209 G 8.03 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 0.00 210 H 10.09 5.03 0.00 3.10 3.24 0.00 6.03 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 0.00 211 G 7.29 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.50 5.04 0.00 2.08 1.53 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 2.28 2.25 0.00 213 I 8.50 4.67 1.58 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.50 0.49 0.00 0.00 214 Y 9.37 4.98 0.00 3.02 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 0.00 215 I 8.73 5.14 2.03 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 1.42 0.72 0.93 0.00 0.00 216 Q 9.04 5.27 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 217 S 8.81 4.65 0.00 3.86 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 0.00 218 L 7.63 4.68 0.00 0.70 0.70 0.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 219 N 8.45 4.88 0.00 2.69 2.77 0.00 0.00 6.61 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.75 3.96 0.00 1.72 1.64 0.18 0.69 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 0.00 221 E 8.32 3.95 0.00 2.11 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 0.00 2.41 2.43 0.00 222 Q 8.45 4.07 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 223 F 8.75 4.54 0.00 3.39 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 A 8.48 3.90 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 0.00 225 G 8.07 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 T 7.56 4.10 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 1.32 0.00 0.00 227 L 7.47 4.33 0.00 1.73 1.67 0.48 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 228 K 7.48 3.81 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.63 7.81 229 R 7.74 3.73 0.00 1.59 1.80 0.00 2.25 0.00 0.00 2.54 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 230 Y 7.27 4.57 0.00 3.10 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 0.00 231 L 7.91 4.38 0.00 1.67 1.52 0.90 1.12 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 * Residues marked with a * may have inaccurate shift predictions.