NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 3.9614 8.1849 120.5490 54.3637 43.0814 175.7654 3 F 5.1573 8.2353 120.1580 53.9109 41.8706 174.2265 4 D 4.7908 9.2407 125.0955 51.9433 43.3336 176.8421 5 E 3.8263 8.5599 118.7200 59.4946 29.4307 178.3824 6 K 3.7700 8.0372 118.9335 59.6773 32.2438 178.4235 7 E 3.6318 8.5807 118.8040 59.1424 29.3272 179.3730 8 I 3.1736 7.7161 120.0511 64.0409 37.0814 178.3289 9 L 3.7958 7.9106 119.8448 57.6915 41.3988 179.5329 10 A 3.1123 7.3735 120.4234 54.8250 18.0533 179.6998 11 I 3.8519 7.5866 118.9146 64.7921 36.9730 178.8486 12 T 3.8927 7.9094 110.6906 64.5747 68.5811 176.6769 13 R 3.7919 7.8015 121.5454 59.0446 29.9878 178.6252 14 W 4.4281 8.2928 118.9276 59.7290 28.8483 178.3252 15 A 4.0329 8.5354 121.2436 54.9398 17.6348 179.7240 16 K 3.7705 7.8802 117.8734 59.5217 32.1559 178.8117 17 L 3.8014 7.9406 119.6079 57.4723 42.0653 177.7095 18 Y 4.8021 7.8866 115.1279 57.5979 38.6291 177.4872 19 A 4.0888 7.8778 125.7049 54.3913 18.4552 179.2981 20 N 4.6721 8.0682 110.2067 53.4343 38.0950 175.0143 21 Q 4.4281 7.9810 119.2856 54.8872 30.0626 176.4935 22 S 4.4213 8.3352 116.6358 57.6432 65.3383 173.6153 23 P 4.2446 0.0000 0.0000 65.9685 31.0313 178.7835 24 D 4.3911 8.0386 117.3479 57.1743 40.7508 178.5708 25 R 3.8704 8.0434 119.4129 59.2416 29.8468 178.3384 26 I 3.5674 7.7285 119.0426 64.4976 37.2133 178.0837 27 L 4.1226 7.5488 117.4211 57.3390 41.6786 178.2479 28 L 4.4906 7.8217 114.4760 54.0548 42.4652 176.6822 29 G 3.8458 8.0063 108.7875 43.5728 0.0000 173.2924 30 S 4.3124 8.3599 123.2885 57.3853 63.2560 173.6848 31 N 4.2017 7.8611 121.1410 52.8010 38.9043 173.5694 32 D 4.6860 8.3369 116.0490 54.1939 40.7917 176.7574 33 I 2.7240 7.1248 121.5456 59.3855 37.6798 174.5338 34 P 4.3263 0.0000 0.0000 61.7730 32.1577 175.3639 35 P 4.1794 0.0000 0.0000 65.9422 31.0334 178.6833 36 E 4.0227 7.9418 113.5523 58.3072 29.9065 177.3026 37 Y 4.7778 7.6236 116.6135 58.1388 38.8409 177.6679 38 R 3.8712 7.7909 119.9467 59.0540 30.1881 178.4763 39 A 4.0192 8.1085 119.8643 55.2080 18.4655 179.3206 40 A 4.1794 8.1930 118.6735 55.3986 18.5674 179.8806 41 V 3.6309 8.1084 116.4635 66.1887 31.7001 177.9216 42 A 4.0567 8.6382 120.8310 55.6276 18.2455 179.6911 43 T 3.8866 8.5596 114.4025 66.9393 68.3327 176.8602 44 Q 4.1806 7.9284 118.4907 59.0569 29.1348 178.6282 45 I 3.9182 7.9848 120.7738 64.4426 36.9727 177.8756 46 E 4.0261 8.6036 119.3021 58.9388 29.6835 178.0345 47 L 4.4914 7.8369 116.7762 55.7179 41.0425 178.0851 48 W 3.9275 8.1866 130.3366 60.3320 30.6712 175.7784 49 P 4.3432 0.0000 0.0000 65.8606 30.6794 178.8167 50 R 3.9510 7.9377 116.3009 58.8082 29.9865 178.6451 51 L 3.7059 8.0391 120.7072 58.0382 41.9729 179.0108 52 R 3.8100 8.1549 119.0363 59.2814 29.7355 178.2007 53 N 4.3649 7.7895 115.4181 56.1807 38.6725 177.0384 54 K 4.1424 7.4671 119.1620 58.0577 33.9787 177.2592 55 L 4.6329 7.8474 120.5005 51.2422 42.0435 175.1582 56 P 4.4534 0.0000 0.0000 65.2522 31.3704 178.6865 57 Q 4.2133 8.0943 116.7595 58.5252 28.8681 178.2361 58 W 4.2622 8.4308 119.5196 59.6981 29.0576 178.2458 59 A 3.8703 7.9672 119.2659 54.2118 17.8010 178.7832 60 G 4.0559 7.6425 100.9109 43.9028 0.0000 173.3691 61 I 4.4698 7.7282 123.8975 59.1731 38.7443 175.6205 62 S 4.4198 8.3859 120.0750 59.5442 63.6265 174.6609 63 S 4.5119 8.6927 117.0475 59.4279 60.4274 169.4481 64 L 4.4157 7.3594 119.9757 54.7559 41.8778 175.7444 65 Y 4.9337 9.4736 124.3796 55.7989 40.8070 174.7908 66 I 4.2525 8.3788 129.1344 59.3341 37.7824 174.2148 67 P 4.4973 0.0000 0.0000 65.6040 31.7543 177.0793 68 S 4.6336 7.5339 110.9858 55.9566 66.6004 175.6415 69 R 3.8904 8.5303 122.3560 59.3313 29.7081 178.7798 70 L 3.9384 7.9828 119.5145 58.6720 41.8331 179.2109 71 S 4.1441 8.1421 113.6235 61.3524 62.5853 176.3269 72 L 4.0141 7.8711 123.0931 58.2284 41.7178 178.8054 73 E 4.0575 8.1080 116.4922 58.5443 29.5082 178.4334 74 Q 4.2764 7.6099 117.2174 56.1851 29.3236 176.3672 75 S 4.3745 6.8479 113.9811 57.3808 63.8866 174.2669 76 S 4.1699 8.4831 117.5515 58.8353 62.7600 174.8137 77 G 3.8414 8.3132 111.4162 44.5944 0.0000 174.7056 78 A 4.0016 8.4120 120.1458 55.2086 18.1128 180.3119 79 V 3.6532 7.7258 110.7812 64.6234 31.6066 178.7831 80 T 4.0257 7.8632 109.4559 64.4599 68.6679 176.6464 81 S 4.2840 7.5561 115.5417 61.5863 63.3083 176.6675 82 S 4.2507 7.9534 118.1404 60.8271 62.6992 175.6171 83 Y 4.1104 7.9164 123.5525 60.6439 38.4870 178.1629 84 K 4.1529 8.0718 119.6123 59.4820 32.0805 179.2213 85 S 4.0907 7.8880 114.2597 60.9909 62.5280 176.5866 86 R 3.8078 7.4931 118.9142 58.5725 29.1105 178.0960 87 F 4.2964 7.9715 117.0485 57.4097 39.1145 175.0856 88 I 3.5946 6.8334 119.8690 58.6938 38.4452 175.8046 89 R 4.0222 8.7468 125.6559 55.7754 30.5534 176.2692 90 E 3.9974 8.5908 122.9640 57.8521 30.0148 176.8950 91 G 3.8674 9.2794 114.4558 46.0017 0.0000 173.3080 92 T 4.5572 7.3687 110.0961 60.3780 72.0362 173.0556 93 K 5.2461 9.2439 120.3773 55.0539 34.7888 176.3148 94 V 5.2398 9.1324 116.5569 59.6823 36.3921 174.5769 95 V 4.9483 9.0515 123.2284 61.2610 34.6701 173.6523 96 D 5.5106 9.4029 128.2998 52.8592 42.1565 176.5588 97 L 4.2221 8.8709 127.2487 56.1954 42.0487 178.1893 98 T 4.4235 8.0208 107.0336 60.1637 70.3778 175.6252 99 G 3.1112 8.7513 112.8242 46.4691 0.0000 175.5931 100 G 4.0732 8.8880 111.0667 43.6947 0.0000 175.0230 101 L 4.1473 8.4887 122.1074 56.7688 42.5090 178.3910 102 G 4.3670 8.0724 104.4672 45.4479 0.0000 175.0031 103 I 4.0715 7.8815 120.6462 63.9028 37.8618 177.5916 104 D 4.2756 8.1568 119.6078 57.1784 40.5422 178.1598 105 F 4.2230 8.3420 119.5079 61.5008 39.5653 176.6437 106 I 3.7846 8.2967 118.4422 64.3813 36.9826 177.9611 107 A 4.1765 7.7233 120.5942 54.8444 18.4534 180.4982 108 L 3.9118 7.8239 116.5389 55.0364 41.4241 179.2875 *110 S 4.3843 8.0854 114.8891 57.6027 65.2725 173.8803 111 K 4.6152 7.8091 118.1786 57.8409 34.4898 176.6308 112 A 4.6321 8.0053 120.3077 52.1632 18.6620 177.5090 113 S 4.5586 9.1563 114.5398 59.4274 65.2590 174.1696 114 Q 5.2115 8.0964 118.5514 54.1763 33.0028 174.5296 115 G 4.8089 9.3558 108.8890 45.0398 0.0000 171.3458 116 I 5.0847 9.0989 122.9391 59.3362 40.1988 173.8799 117 Y 4.6600 8.8098 128.5265 55.6759 41.0599 174.3206 118 I 4.9483 7.8354 126.3430 59.4398 40.8633 174.5495 119 E 4.3939 8.9108 127.1004 54.4209 32.2780 176.2477 120 R 3.9547 9.0080 125.7623 58.3736 30.5427 176.8655 121 N 4.6511 8.7796 117.9222 52.2615 39.5272 174.4497 122 D 4.4070 8.8183 127.8190 57.7811 41.0963 177.7201 123 E 3.9768 8.3396 118.7370 59.9027 29.5875 178.8597 124 T 3.9733 8.3760 115.1477 66.6914 68.4788 176.5030 125 A 4.2133 8.4345 122.9304 55.1653 18.3519 179.7344 126 V 3.5647 8.3057 116.9368 66.2065 31.5887 178.1910 127 A 4.1959 8.0290 120.3356 55.2023 18.2029 179.5015 128 A 3.9511 8.1080 119.3623 55.2092 18.1526 179.7881 129 R 3.7081 8.1126 116.8676 59.5706 30.1241 178.0651 130 H 4.3254 7.7547 116.9573 59.2248 30.2998 176.7699 131 N 4.3915 8.7527 118.5690 56.1672 38.4133 177.3192 132 I 3.6167 7.8926 121.6082 64.2350 37.0767 176.8009 133 P 4.2736 0.0000 0.0000 65.0242 31.2346 178.0269 134 L 4.1297 7.5639 116.3941 55.9638 41.7550 177.3121 135 L 4.3956 7.5103 117.0391 54.4377 43.2129 176.7109 136 L 4.2617 7.5591 118.5317 53.5674 42.4216 176.2633 137 N 4.4994 8.4194 119.9239 52.8406 39.2141 174.2569 138 E 4.0141 8.3339 120.0074 57.5599 30.1171 176.0866 139 G 3.8530 8.7655 111.2368 46.4948 0.0000 173.0797 140 K 4.6568 7.9767 117.2762 54.1243 35.0746 175.5276 141 D 4.9126 8.8198 123.2872 52.8015 43.2060 175.0885 142 V 5.2049 8.4561 118.3427 59.5308 35.8864 174.7198 143 N 4.8596 8.9817 121.0494 51.9528 41.7753 173.0603 144 I 4.7605 8.4792 127.2006 59.8596 38.8920 174.7672 145 L 4.7545 9.0938 127.9787 53.1036 44.4916 175.8907 146 T 4.9285 9.1851 119.1555 62.5462 70.0331 173.9855 147 G 3.9304 8.4894 111.6145 43.4983 0.0000 171.8425 148 D 4.7275 8.4863 119.3528 53.0804 41.9533 177.3134 149 F 4.5864 9.1251 121.1927 59.8073 37.7923 176.9968 150 K 3.6960 7.4334 119.3060 57.7797 31.7588 177.2990 151 E 4.1605 7.9899 117.9201 56.8297 29.9795 176.2388 152 Y 4.8710 7.8256 116.8957 57.5510 38.9534 177.6801 153 L 4.0335 8.1620 122.9135 57.5519 41.6320 177.3067 154 P 4.1505 0.0000 0.0000 65.4693 31.2577 178.3471 155 L 3.9827 7.9321 118.5282 58.1911 42.1926 178.8440 156 I 3.8181 8.0525 119.8867 64.4899 36.8655 178.5939 157 K 3.6636 7.9704 118.1939 59.6047 31.7849 179.2646 158 T 4.0810 7.8543 115.1192 66.6155 68.4531 176.0687 159 F 4.4730 8.4037 121.6393 59.6143 40.7057 174.4899 160 H 4.3851 8.3711 115.4099 55.3300 28.3832 171.9286 161 P 4.1219 0.0000 0.0000 62.8032 32.9045 178.9556 162 D 4.1528 8.6577 121.1770 56.9863 41.8987 176.2654 163 Y 5.4207 7.8371 114.4239 56.1993 42.6665 174.5133 164 I 4.9447 8.7974 123.9170 59.8230 39.9899 173.7774 165 Y 5.3618 9.3462 129.3358 55.8411 41.1670 174.7447 166 V 4.2142 7.7303 124.7744 60.0266 35.1790 173.7890 167 D 4.9404 8.7733 124.1453 51.3624 41.4782 173.2538 168 P 4.6857 0.0000 0.0000 62.3282 32.7640 175.6071 169 A 4.7156 9.0808 122.9731 50.5775 21.9821 175.7940 170 R 4.2489 8.2254 119.6926 55.4046 30.1909 176.3210 171 R 3.8932 8.5483 129.7264 59.4127 30.3816 178.3007 *177 R 4.3780 8.2774 118.3384 56.8062 31.5877 181.9642 178 V 3.9504 7.5686 114.9295 60.2348 32.1739 177.2176 179 Y 4.6887 8.5814 122.9811 56.1332 39.1240 174.5310 180 A 4.7764 9.0502 130.6720 49.9221 21.4837 177.1225 181 I 3.5873 8.2325 120.1019 63.9905 38.1271 178.3185 182 A 4.0706 7.9883 121.6930 54.5469 18.6027 177.5347 183 D 4.6801 8.4229 115.0403 54.9493 41.4481 176.0798 184 C 4.7920 7.9180 119.1992 59.8568 29.4961 172.3245 185 E 4.7939 9.2770 124.9502 53.5825 31.5611 173.4601 186 P 4.8505 0.0000 0.0000 62.1924 32.6509 175.6706 187 D 4.6759 8.5137 120.1377 53.7045 41.7710 177.2333 188 L 4.1048 8.5540 126.8140 57.3563 41.6988 179.5599 189 I 3.7208 7.5965 119.1400 64.0736 37.1714 176.6896 190 P 4.3245 0.0000 0.0000 65.1532 31.1387 178.4303 191 L 4.0147 7.7380 118.7291 58.2270 41.9770 178.9994 192 A 4.0041 8.1399 120.6005 55.4169 18.0964 179.4935 193 T 3.8161 7.7002 113.2709 67.0211 68.6411 175.9502 194 E 4.2294 8.1371 119.6580 58.3528 30.0212 177.6639 195 L 4.7248 8.1609 117.7785 55.5895 42.5395 178.4402 196 L 4.0143 8.1037 119.5406 57.5238 41.3707 177.3090 197 P 4.3692 0.0000 0.0000 63.7982 31.3125 176.7059 198 F 4.6179 8.3213 116.7919 56.6769 39.9314 173.9661 199 C 5.6666 7.4179 112.8116 56.5859 32.7542 174.5592 200 S 4.2751 8.3877 115.8965 61.3752 62.7725 174.9902 201 S 4.8070 8.1340 114.3297 56.8531 67.7491 172.7755 202 I 4.9646 8.3118 122.4572 59.7028 39.6748 174.2385 203 L 5.0397 9.1589 128.8430 53.2521 44.4181 174.6106 204 A 4.9707 8.7944 128.6385 49.9042 21.6919 174.6270 205 K 4.7580 8.4894 124.6958 54.9636 33.4649 175.6833 206 L 4.8140 8.8166 127.2756 52.3352 45.3883 175.9757 207 S 4.3593 8.3531 115.9868 57.1641 62.9339 173.7474 208 P 4.4715 0.0000 0.0000 62.3328 29.6361 176.6997 *210 I 4.0814 7.2243 116.7660 60.9002 38.8589 176.3677 211 D 4.5253 8.3969 123.5162 53.8914 42.4980 177.0266 212 L 4.0163 8.6295 127.1395 57.8387 41.7639 179.5000 213 W 4.4029 8.3358 127.7619 60.4028 30.8703 177.1561 214 D 4.2256 9.0469 118.4852 57.7127 40.6918 178.3798 215 T 3.7877 7.9488 115.9541 66.8933 68.3108 176.6859 216 L 3.9435 7.7721 119.1462 57.5736 41.6239 179.2348 217 Q 3.7333 7.7314 117.6126 57.9220 28.6708 177.6782 218 S 4.4079 7.4553 114.2177 58.0468 63.9936 174.2176 219 L 4.5866 7.1114 121.0340 52.9121 42.4938 176.1160 220 L 4.3108 8.1490 122.2913 55.2018 42.9925 176.6155 221 H 4.2041 8.6387 116.4238 56.5949 25.9798 175.2668 222 V 3.8942 7.1677 120.2043 63.3353 31.6869 175.6554 223 Q 4.7047 9.0497 125.9428 56.9841 30.7514 175.6050 224 E 5.0164 7.7379 114.0558 55.2873 32.9740 174.2016 225 L 5.3316 8.9272 123.0739 53.7903 45.5997 174.5852 226 H 5.4411 9.7891 123.4006 54.0879 31.8938 173.2800 227 V 4.4477 9.4511 124.6449 61.4825 33.1763 174.5602 228 V 4.5630 8.7104 129.1632 61.1922 33.4563 174.1826 229 A 5.2510 8.8536 130.2305 50.5709 21.8716 175.2233 230 A 4.5794 8.6498 120.7196 51.2986 23.2709 176.1745 231 H 3.9773 9.5586 115.4470 56.9853 26.2732 176.2915 232 G 4.0241 9.4573 105.6719 45.4346 0.0000 173.6869 233 E 4.7067 7.9189 116.2397 54.1236 32.7383 174.7525 234 V 4.1313 7.6517 119.6839 63.1789 31.9996 175.8071 235 K 4.5848 8.7846 127.0701 57.8651 33.8253 176.2320 236 E 4.8835 7.7805 114.8319 55.6033 32.7307 174.3686 237 L 5.2443 8.5867 120.5121 53.1176 44.9027 175.5736 238 L 5.2112 9.0036 121.9105 52.9303 45.3218 175.6221 239 V 4.7687 8.6964 123.2627 61.1244 34.7085 174.5855 240 R 5.5032 8.4680 127.0726 53.6758 33.6108 174.2627 *242 S 4.3812 8.3400 114.1678 58.0310 62.9063 173.4869 243 L 4.0394 8.3910 126.7044 56.3972 41.7810 177.6249 244 N 4.4342 7.8269 116.5924 55.2959 39.1130 174.3215 245 E 4.7511 7.6834 115.2276 53.6152 33.2414 175.2433 246 A 4.1220 8.4260 123.3701 52.4119 18.9973 177.9886 247 T 3.9640 8.4435 117.9681 63.9114 69.0801 173.8135 248 I 4.4848 8.0188 126.2509 58.3901 39.6216 174.0100 249 P 4.4437 0.0000 0.0000 61.9926 32.2305 175.4273 250 P 4.2158 0.0000 0.0000 65.7662 31.3244 178.5582 251 E 4.3791 8.4088 114.1857 58.2111 29.7543 177.3197 252 K 4.3629 7.8355 117.5684 56.0230 32.9422 176.5733 253 V 3.7289 7.3975 120.2589 62.2234 32.1209 173.9839 254 P 4.4531 0.0000 0.0000 62.9411 32.5385 175.0146 255 I 4.8566 8.7676 126.2313 59.9873 39.3872 174.2540 256 H 5.3477 9.5503 124.7745 54.1085 30.9711 173.4571 257 A 5.2853 9.3685 126.2682 50.2572 21.1477 175.1677 258 I 4.7214 8.8519 122.6946 59.2799 42.0456 173.6296 259 N 5.0600 8.5486 127.1429 51.5196 40.1949 173.5449 260 L 4.2253 8.8645 127.5304 54.5971 42.3707 176.7935 261 L 4.7986 8.3319 124.3512 53.2090 45.8720 178.5614 262 L 4.5384 8.2972 120.2682 52.3591 39.5381 174.9752 263 E 4.8766 7.5716 133.2612 57.6145 32.1700 181.8357 *265 T 4.1232 8.8589 109.3170 60.4428 69.4693 173.3757 266 V 4.5731 8.1024 124.7742 60.4423 34.8447 173.5338 267 I 4.4682 8.0489 124.7372 58.7205 38.8593 174.1254 268 P 4.6757 0.0000 0.0000 62.6306 32.7433 175.5765 269 F 4.3413 9.0958 124.5146 57.5259 40.3484 174.2516 270 I 5.1530 7.7927 127.3722 59.6991 39.4504 174.9873 271 F 5.0862 8.9459 120.8049 55.5291 41.7463 173.3733 272 T 4.2608 8.2743 111.4207 61.2933 68.4850 175.6319 *274 E 4.1592 8.9304 117.2763 56.0166 31.4915 177.0564 275 E 3.8587 8.2154 118.8315 59.3533 29.4804 178.0669 276 E 4.0644 8.0779 119.1910 58.9783 29.7104 178.8997 277 R 4.0950 7.8718 116.2911 58.8851 30.3106 178.5219 278 S 4.2646 7.8997 113.4300 59.9684 63.6620 175.1259 279 I 3.7492 6.8866 122.2296 61.0008 37.4943 175.4487 280 S 4.8031 8.1706 118.4076 56.6746 66.5692 173.6128 281 I 4.6698 7.9932 116.0815 57.9770 40.3087 173.5660 282 P 4.4552 0.0000 0.0000 62.9509 31.9610 175.0717 283 Y 4.8070 8.2972 116.6166 56.4452 40.5960 175.0581 284 T 4.6329 8.2164 117.8697 60.5088 69.0588 174.4312 285 D 4.6264 8.7260 127.6357 55.6581 41.4937 176.4233 286 S 4.7883 7.7609 112.6679 56.1318 65.8633 173.1165 287 I 4.3168 8.1154 121.6742 60.4484 39.3204 174.4772 288 D 4.9895 8.2762 127.6412 52.4882 43.4816 175.9689 289 K 3.9168 8.7748 119.2865 59.7194 33.1754 176.7087 290 Y 5.0816 8.2573 117.5194 56.2506 40.4710 175.1008 291 V 4.8844 8.7074 123.0582 61.2608 35.0823 173.7130 292 Y 4.8815 9.2265 124.9062 55.9810 41.3808 173.9314 293 E 5.2277 9.2844 125.9117 53.6297 31.9530 173.4497 294 P 5.3020 0.0000 0.0000 62.7906 32.8378 175.9763 295 H 4.6547 8.4435 117.5420 55.1579 29.5847 176.5634 296 T 3.9851 8.5140 109.8189 64.7559 68.3527 176.4364 297 A 4.0207 8.0864 123.4031 54.8539 18.6314 179.3138 298 L 3.7130 7.9025 117.0475 57.8212 41.4811 179.4934 299 L 4.0505 7.4973 117.0958 57.8651 41.7151 179.2825 300 K 4.1202 8.0630 117.9205 59.4715 32.2211 178.4867 301 A 4.2673 8.0684 120.3610 53.0078 18.2945 178.0308 302 G 2.7568 7.5065 104.1513 46.5414 0.0000 174.1595 303 A 3.7904 6.8884 119.1864 51.3153 17.9038 180.0650 304 F 4.3470 7.3075 123.3198 61.6340 39.8063 177.1370 305 K 4.3347 9.1420 118.3279 59.5587 31.6275 179.5179 306 T 3.9840 8.5447 116.4736 66.6077 68.1964 176.6901 307 V 3.4375 7.5348 119.7098 65.8667 31.3586 178.0111 308 A 3.8089 7.8112 119.9468 55.1884 17.8762 178.8746 309 Y 3.8718 8.1285 118.0751 60.9024 38.7257 178.1259 310 R 3.7084 8.4728 118.7445 58.2829 30.2638 177.3056 311 L 4.5731 7.2771 115.6502 52.9481 43.1994 176.0503 312 G 3.7073 7.5524 106.3375 46.9766 0.0000 173.4810 313 L 4.8424 7.8908 117.4725 52.6914 45.1574 176.9337 314 R 4.6614 8.7903 119.5907 54.6718 32.7102 175.5371 315 K 4.8280 8.3034 123.7449 54.9716 33.9949 177.3308 316 L 4.0862 8.5980 126.4292 57.9725 42.2443 176.8440 317 H 4.4852 7.8015 114.1615 54.5539 32.3821 172.4720 318 P 4.1753 0.0000 0.0000 65.2969 31.1492 177.1373 319 N 4.3375 8.1617 112.1670 53.0940 39.0871 174.8649 320 S 4.3731 7.5354 115.3325 57.4804 63.1365 174.8300 321 H 4.6429 8.1246 127.2865 54.1689 27.3589 174.6787 322 L 4.9586 6.8477 120.3056 53.2592 47.0316 175.8320 323 Y 5.3506 8.8588 117.6511 56.9161 42.5655 174.3162 324 T 5.9443 9.4954 114.6055 61.3215 71.5561 172.4306 325 S 4.9274 8.6078 118.2142 57.7868 65.5575 175.3303 326 E 4.0278 9.1755 121.8416 58.2249 29.8981 176.7244 327 A 4.7879 7.8074 120.1474 50.3864 20.6403 175.7093 328 Y 3.4519 8.3856 122.4524 57.1503 39.1129 175.3592 329 E 4.1727 8.5148 129.0533 54.8377 30.8860 175.8191 330 S 3.6157 7.9095 114.2634 58.7879 63.9706 175.3396 331 A 4.2664 7.4044 121.9473 53.4311 20.6278 176.7568 332 F 4.0862 7.9409 116.5894 57.5383 40.4372 174.2900 333 P 4.5080 0.0000 0.0000 59.5286 29.8011 175.7798 334 G 4.2983 7.0085 116.9268 46.8786 0.0000 169.8776 335 R 4.7166 9.0309 123.5991 54.6779 32.9998 175.3478 336 T 4.8147 8.0804 118.2910 61.7653 71.8829 173.0878 337 F 5.3429 9.1779 123.5438 55.7259 43.8285 173.7885 338 V 4.5173 8.7489 121.3968 61.1335 33.2719 174.7592 339 L 4.2784 8.7503 131.2570 55.5811 41.9165 175.6798 340 E 4.5118 9.2188 126.0786 57.7456 31.1232 176.2952 341 E 4.7755 7.8412 116.7134 54.5584 34.5147 174.0700 342 I 4.9006 8.3268 121.8290 59.2857 40.9226 174.3837 343 I 4.5593 8.8470 130.2377 58.6209 39.9297 173.3521 344 P 4.6478 0.0000 0.0000 62.8029 31.7910 175.7716 345 F 4.8753 9.1995 128.0270 57.6092 40.3880 174.8627 346 S 3.9382 7.4919 118.1342 55.7355 66.1643 174.9159 347 T 3.6410 8.2276 117.9211 66.9904 67.8231 176.8259 348 S 4.1431 7.7804 114.0924 61.3294 63.1817 176.4795 349 V 3.7520 7.7791 116.0819 63.5049 31.3075 178.1229 350 L 4.0933 7.7195 119.1634 57.9263 41.4187 179.4322 351 K 4.2609 7.9506 114.3562 58.0855 32.4384 177.7131 352 Q 4.3328 8.1151 117.9306 56.7883 29.4700 177.8305 353 L 4.0321 7.7990 118.3010 57.5509 41.2925 179.2550 354 R 4.0434 7.9544 116.6299 58.5997 30.0332 178.5251 355 K 4.1402 7.9719 118.1478 59.0621 32.0639 179.0758 356 V 3.9502 7.6705 112.1287 62.3068 32.1730 176.8764 357 V 4.5515 6.9107 115.7848 59.3450 34.0689 172.9805 358 P 4.3869 0.0000 0.0000 65.5933 31.6743 175.9364 359 Q 4.7686 7.4608 113.2434 55.8389 30.3586 173.1297 360 A 4.6964 8.4065 119.8283 51.2480 23.2855 176.2125 361 S 4.3884 8.6610 116.1871 58.5601 64.4275 173.5361 362 I 5.0304 8.1874 122.3490 59.7819 39.8785 175.0192 363 S 4.8498 8.8780 121.6886 56.9769 66.9161 173.2491 364 C 4.8118 8.4259 117.7692 58.3981 31.9871 174.6734 365 R 4.1757 8.8162 121.7661 55.0453 32.4458 170.2849 366 N 4.2604 9.5707 124.2192 52.8093 35.0085 172.5200 367 F 4.6908 7.5239 122.2017 55.8224 42.5035 173.0040 368 P 4.0568 0.0000 0.0000 63.9304 31.7281 176.0496 369 L 4.8720 6.6090 118.5851 52.8195 44.0778 176.8465 370 S 4.5403 8.8501 116.9209 57.2242 65.3288 173.6896 371 P 4.1781 0.0000 0.0000 65.8330 30.9267 178.8586 372 I 3.7093 7.6956 116.9391 63.8958 37.9218 177.6962 373 E 3.9520 8.1183 119.2112 59.2201 29.3993 178.8080 374 L 3.9854 8.2045 120.7033 58.2185 42.1991 178.9806 375 R 3.8550 8.2503 118.6577 59.7887 29.8640 178.6045 376 Q 4.0559 8.1404 116.5710 58.9852 28.7730 178.6157 377 R 4.1470 8.1754 118.5981 58.4085 30.2544 178.2418 378 S 4.7002 7.9909 111.9257 56.6436 63.6619 171.1829 379 K 3.4892 7.2693 127.7625 55.9430 32.1016 174.7003 *381 A 4.0688 8.1495 125.5534 51.8107 19.5707 175.6837 382 D 5.1454 7.8289 120.1945 52.0062 40.9512 175.8493 383 G 3.6982 8.2772 105.7819 45.2573 0.0000 172.9072 384 G 3.8242 8.3540 106.2669 45.0405 0.0000 172.7099 385 E 4.4893 8.5024 115.6769 56.1664 30.7776 176.3120 386 K 4.7830 7.6845 118.6461 55.5188 34.8691 175.4370 387 T 5.1023 8.7897 118.1446 62.0601 72.3893 174.1094 388 L 5.1438 8.1870 126.0943 52.4018 45.0941 175.3038 *390 G 2.5641 8.2804 105.3862 46.4408 0.0000 172.2746 391 T 5.1655 8.0041 117.5019 62.7574 71.6386 171.2471 392 T 5.3699 7.9647 117.1875 60.6703 72.2775 173.6286 *394 A 4.4744 8.6864 122.7484 52.5427 20.1497 177.1829 395 D 4.5935 7.8695 111.8506 53.4545 39.5353 177.5468 396 G 3.9406 8.2352 107.9847 45.3067 0.0000 174.0307 397 K 4.1620 8.0026 120.3399 56.1111 32.7632 176.2550 398 K 4.6957 8.5661 123.1477 56.2351 33.7935 176.3027 399 V 5.1268 9.1250 116.3137 59.9299 36.9520 173.9038 400 L 4.8611 9.1542 122.3711 52.9857 44.5736 175.5041 401 L 5.0013 8.1873 122.8369 52.8680 44.5678 174.9286 402 L 4.8189 8.8053 126.4838 53.8184 43.4737 175.1452 403 L 5.3730 8.9427 126.5430 52.8031 45.6110 175.8048 404 R 5.0948 8.5372 117.9846 53.8330 32.8528 175.2409 405 K 4.3173 8.7993 119.3067 57.0551 32.1000 177.2285 406 A 4.2515 8.9674 128.3608 54.6209 19.2090 178.2951 407 E 4.2071 7.9038 115.3616 56.1544 30.9827 179.6169 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 L 8.18 3.96 0.00 1.53 1.59 0.85 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.24 5.16 0.00 3.01 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 4 D 9.24 4.79 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.56 3.83 0.00 2.09 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 2.36 2.40 0.00 6 K 8.04 3.77 0.00 1.81 1.91 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 7 E 8.58 3.63 0.00 2.22 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 2.33 2.52 0.00 8 I 7.72 3.17 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.53 0.28 0.00 0.00 9 L 7.91 3.80 0.00 1.64 1.53 0.88 0.93 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 10 A 7.37 3.11 0.20 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 11 I 7.59 3.85 1.60 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.45 1.11 0.00 0.00 12 T 7.91 3.89 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 13 R 7.80 3.79 0.00 1.66 1.78 0.00 2.91 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 14 W 8.29 4.43 0.00 3.65 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 15 A 8.54 4.03 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.88 3.77 0.00 1.70 1.83 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.32 7.81 17 L 7.94 3.80 0.00 1.46 1.23 0.70 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.89 4.80 0.00 3.17 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 19 A 7.88 4.09 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 20 N 8.07 4.67 0.00 2.87 2.96 0.00 0.00 6.02 7.39 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 21 Q 7.98 4.43 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 22 S 8.34 4.42 0.00 4.06 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 23 P 0.00 4.24 0.00 2.20 2.18 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 24 D 8.04 4.39 0.00 2.77 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 25 R 8.04 3.87 0.00 1.89 2.04 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 26 I 7.73 3.57 2.04 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 1.75 0.94 0.92 0.00 0.00 27 L 7.55 4.12 0.00 1.88 1.70 0.97 1.03 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 28 L 7.82 4.49 0.00 1.58 1.62 0.91 0.73 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 29 G 8.01 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 30 S 8.36 4.31 0.00 3.83 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 31 N 7.86 4.20 0.00 1.44 1.50 0.00 0.00 6.26 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 32 D 8.34 4.69 0.00 2.91 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.12 2.72 1.49 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.15 0.30 0.00 0.00 34 P 0.00 4.33 0.00 2.29 2.01 0.00 2.87 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.19 0.00 35 P 0.00 4.18 0.00 2.07 2.05 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 36 E 7.94 4.02 0.00 1.89 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 1.47 1.83 0.00 37 Y 7.62 4.78 0.00 2.88 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 38 R 7.79 3.87 0.00 1.89 1.92 0.00 3.03 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 39 A 8.11 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.19 4.18 1.58 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 0.00 0.00 41 V 8.11 3.63 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.23 0.00 0.00 42 A 8.64 4.06 1.45 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 0.00 0.00 43 T 8.56 3.89 4.52 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 1.28 0.00 0.00 44 Q 7.93 4.18 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.78 2.77 0.00 45 I 7.98 3.92 2.05 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 1.40 1.05 1.02 0.00 0.00 46 E 8.60 4.03 0.00 2.11 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 0.00 2.38 2.52 0.00 47 L 7.84 4.49 0.00 1.99 1.92 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 48 W 8.19 3.93 0.00 3.69 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 49 P 0.00 4.34 0.00 2.24 2.14 0.00 3.88 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 50 R 7.94 3.95 0.00 1.95 1.93 0.00 3.12 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 51 L 8.04 3.71 0.00 1.36 1.19 0.71 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.15 3.81 0.00 1.93 2.03 0.00 3.23 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 53 N 7.79 4.36 0.00 2.84 2.83 0.00 0.00 7.02 7.65 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 54 K 7.47 4.14 0.00 1.60 1.67 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.37 7.81 55 L 7.85 4.63 0.00 1.38 1.13 0.02 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.45 0.00 2.29 2.41 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.92 0.00 57 Q 8.09 4.21 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 58 W 8.43 4.26 0.00 3.35 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 59 A 7.97 3.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.64 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.73 4.47 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.85 0.00 0.00 62 S 8.39 4.42 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.69 4.51 0.00 4.00 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 64 L 7.36 4.42 0.00 2.06 1.81 0.69 0.45 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 65 Y 9.47 4.93 0.00 2.82 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 66 I 8.38 4.25 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.92 0.00 0.00 67 P 0.00 4.50 0.00 2.28 2.34 0.00 3.86 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 68 S 7.53 4.63 0.00 4.05 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 69 R 8.53 3.89 0.00 1.89 2.03 0.00 3.18 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 70 L 7.98 3.94 0.00 1.76 1.69 0.93 1.10 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 71 S 8.14 4.14 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.87 4.01 0.00 1.73 1.78 0.74 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.11 4.06 0.00 1.98 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 2.45 2.48 0.00 74 Q 7.61 4.28 0.00 1.98 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 75 S 6.85 4.37 0.00 3.88 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 76 S 8.48 4.17 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.31 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 78 A 8.41 4.00 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 79 V 7.73 3.65 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 80 T 7.86 4.03 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 81 S 7.56 4.28 0.00 4.22 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 0.00 82 S 7.95 4.25 0.00 4.04 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.37 4.56 4.50 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 1.35 0.00 0.00 93 K 9.24 5.25 0.00 1.40 1.30 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.61 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.24 7.81 94 V 9.13 5.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 95 V 9.05 4.95 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 0.88 0.00 0.00 1.22 0.00 0.00 96 D 9.40 5.51 0.00 3.14 2.64 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 97 L 8.87 4.22 0.00 1.21 1.13 0.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.02 4.42 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 1.16 0.00 0.00 99 G 8.75 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 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1.44 1.59 0.00 1.48 0.00 0.00 1.48 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.78 0.21 7.81 151 E 7.99 4.16 0.00 1.56 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 152 Y 7.83 4.87 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.16 4.03 0.00 1.66 1.69 0.93 1.25 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 0.00 154 P 0.00 4.15 0.00 2.16 2.08 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 155 L 7.93 3.98 0.00 1.83 1.93 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.05 3.82 2.06 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.16 1.01 0.00 0.00 157 K 7.97 3.66 0.00 1.29 0.74 0.00 1.32 0.00 0.00 0.73 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.27 7.81 158 T 7.85 4.08 4.43 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 1.28 0.00 0.00 159 F 8.40 4.47 0.00 3.06 3.35 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 0.00 160 H 8.37 4.39 0.00 3.39 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.12 0.00 2.44 2.38 0.00 4.02 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 162 D 8.66 4.15 0.00 2.51 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 0.00 0.00 0.00 163 Y 7.84 5.42 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 I 8.80 4.94 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.87 0.00 0.00 165 Y 9.35 5.36 0.00 3.04 2.89 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 0.00 166 V 7.73 4.21 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 0.57 0.00 0.00 0.69 0.00 0.00 167 D 8.77 4.94 0.00 2.42 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.69 0.00 2.16 2.03 0.00 3.93 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 169 A 9.08 4.72 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 0.00 170 R 8.23 4.25 0.00 1.28 1.58 0.00 2.51 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.50 0.00 171 R 8.55 3.89 0.00 1.88 2.06 0.00 3.34 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 *177 R 8.28 4.38 0.00 1.90 1.87 0.00 3.31 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 178 V 7.57 3.95 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 0.87 0.00 0.00 0.93 0.00 0.00 179 Y 8.58 4.69 0.00 2.92 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 0.00 180 A 9.05 4.78 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 0.00 181 I 8.23 3.59 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.17 0.95 0.00 0.00 182 A 7.99 4.07 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 0.00 183 D 8.42 4.68 0.00 2.97 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 C 7.92 4.79 0.00 3.02 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 0.00 185 E 9.28 4.79 0.00 2.05 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 2.20 2.29 0.00 186 P 0.00 4.85 0.00 2.33 2.39 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 187 D 8.51 4.68 0.00 2.81 2.63 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 0.00 188 L 8.55 4.10 0.00 1.71 1.67 0.86 0.83 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 0.00 189 I 7.60 3.72 1.88 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 1.51 0.60 0.91 0.00 0.00 190 P 0.00 4.32 0.00 2.20 2.12 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 191 L 7.74 4.01 0.00 1.98 1.88 0.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 192 A 8.14 4.00 1.41 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 0.00 0.00 193 T 7.70 3.82 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 1.24 0.00 0.00 194 E 8.14 4.23 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 2.40 2.43 0.00 195 L 8.16 4.72 0.00 1.91 1.75 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 196 L 8.10 4.01 0.00 1.75 1.68 0.91 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 0.00 197 P 0.00 4.37 0.00 1.43 1.76 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 198 F 8.32 4.62 0.00 3.10 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 0.00 199 C 7.42 5.67 0.00 3.10 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 0.00 200 S 8.39 4.28 0.00 3.64 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 0.00 201 S 8.13 4.81 0.00 3.96 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 0.00 202 I 8.31 4.96 1.87 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 1.23 1.06 0.86 0.00 0.00 203 L 9.16 5.04 0.00 1.66 1.63 0.16 0.43 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 0.00 204 A 8.79 4.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 K 8.49 4.76 0.00 1.89 1.66 0.00 1.87 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 206 L 8.82 4.81 0.00 1.46 1.33 0.84 0.50 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 0.00 207 S 8.35 4.36 0.00 3.95 3.28 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 0.00 208 P 0.00 4.47 0.00 2.10 2.05 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 *210 I 7.22 4.08 1.72 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.98 0.78 0.00 0.00 211 D 8.40 4.53 0.00 2.84 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 0.00 212 L 8.63 4.02 0.00 1.88 1.84 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 213 W 8.34 4.40 0.00 3.39 3.27 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 0.00 214 D 9.05 4.23 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 T 7.95 3.79 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 1.16 0.00 0.00 216 L 7.77 3.94 0.00 1.34 1.51 1.08 1.11 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 0.00 217 Q 7.73 3.73 0.00 1.61 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 1.50 1.16 0.00 218 S 7.46 4.41 0.00 3.79 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 0.00 219 L 7.11 4.59 0.00 1.60 1.54 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.15 4.31 0.00 1.68 1.40 0.89 1.05 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 0.00 221 H 8.64 4.20 0.00 3.33 3.61 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 V 7.17 3.89 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 0.78 0.00 0.00 0.95 0.00 0.00 223 Q 9.05 4.70 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 224 E 7.74 5.02 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 225 L 8.93 5.33 0.00 1.73 1.53 0.94 0.98 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 0.00 226 H 9.79 5.44 0.00 3.27 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 V 9.45 4.45 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 228 V 8.71 4.56 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 0.61 0.00 0.00 0.84 0.00 0.00 229 A 8.85 5.25 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 0.00 230 A 8.65 4.58 1.13 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 0.00 231 H 9.56 3.98 0.00 3.32 3.38 0.00 5.74 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 0.00 232 G 9.46 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 0.00 0.00 0.00 233 E 7.92 4.71 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 234 V 7.65 4.13 2.10 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 0.79 0.00 0.00 0.96 0.00 0.00 235 K 8.78 4.58 0.00 1.74 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.52 7.81 236 E 7.78 4.88 0.00 2.01 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 2.25 2.35 0.00 237 L 8.59 5.24 0.00 1.59 1.59 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 238 L 9.00 5.21 0.00 1.58 1.28 1.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 239 V 8.70 4.77 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 1.01 0.00 0.00 0.90 0.00 0.00 240 R 8.47 5.50 0.00 1.92 1.85 0.00 3.42 0.00 0.00 3.46 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 *242 S 8.34 4.38 0.00 3.92 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 0.00 243 L 8.39 4.04 0.00 1.58 1.59 0.84 0.67 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 0.00 244 N 7.83 4.43 0.00 2.80 2.83 0.00 0.00 6.93 7.85 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 0.00 245 E 7.68 4.75 0.00 2.04 1.80 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 2.20 2.26 0.00 246 A 8.43 4.12 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 0.00 247 T 8.44 3.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 248 I 8.02 4.48 1.88 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 1.48 0.76 0.95 0.00 0.00 249 P 0.00 4.44 0.00 2.59 2.19 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 250 P 0.00 4.22 0.00 2.01 1.89 0.00 3.60 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 1.93 1.94 0.00 251 E 8.41 4.38 0.00 2.15 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 0.00 2.34 2.33 0.00 252 K 7.84 4.36 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.38 7.81 253 V 7.40 3.73 2.20 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 0.74 0.00 0.00 0.98 0.00 0.00 254 P 0.00 4.45 0.00 2.19 1.98 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 255 I 8.77 4.86 1.02 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.63 0.94 0.00 0.00 256 H 9.55 5.35 0.00 2.85 3.19 0.00 5.77 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 0.00 257 A 9.37 5.29 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 258 I 8.85 4.72 1.89 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 1.01 1.68 0.68 0.00 0.00 259 N 8.55 5.06 0.00 1.99 2.44 0.00 0.00 7.11 7.78 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 0.00 260 L 8.86 4.23 0.00 1.47 1.53 0.78 0.75 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 0.00 261 L 8.33 4.80 0.00 1.55 1.52 0.91 0.94 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 0.00 262 L 8.30 4.54 0.00 1.66 1.50 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 263 E 7.57 4.88 0.00 2.05 1.12 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 2.02 2.21 0.00 *265 T 8.86 4.12 4.24 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 2.27 2.31 0.00 275 E 8.22 3.86 0.00 2.14 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 0.00 2.37 2.33 0.00 276 E 8.08 4.06 0.00 2.26 2.10 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 2.48 2.33 0.00 277 R 7.87 4.09 0.00 1.77 1.92 0.00 3.06 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 278 S 7.90 4.26 0.00 4.00 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 0.00 279 I 6.89 3.75 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.33 0.74 0.00 0.00 280 S 8.17 4.80 0.00 3.80 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 0.00 281 I 7.99 4.67 1.74 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 -0.05 0.99 0.00 0.00 282 P 0.00 4.46 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 325 S 8.61 4.93 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 E 9.18 4.03 0.00 2.01 2.10 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 2.34 2.44 0.00 327 A 7.81 4.79 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 0.00 328 Y 8.39 3.45 0.00 2.09 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 E 8.51 4.17 0.00 1.66 1.62 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 2.07 2.17 0.00 330 S 7.91 3.62 0.00 4.03 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 331 A 7.40 4.27 1.16 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 0.00 0.00 332 F 7.94 4.09 0.00 3.01 3.13 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 0.00 333 P 0.00 4.51 0.00 1.73 1.92 0.00 2.34 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 1.35 0.00 334 G 7.01 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 0.00 0.00 0.00 0.00 335 R 9.03 4.72 0.00 1.77 1.27 0.00 3.01 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 336 T 8.08 4.81 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 1.08 0.00 0.00 337 F 9.18 5.34 0.00 2.74 2.89 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 0.00 338 V 8.75 4.52 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 0.77 0.00 0.00 0.95 0.00 0.00 339 L 8.75 4.28 0.00 1.61 1.46 0.89 0.93 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 0.00 340 E 9.22 4.51 0.00 1.92 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 2.22 2.23 0.00 341 E 7.84 4.78 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 342 I 8.33 4.90 1.84 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 1.35 0.88 0.90 0.00 0.00 343 I 8.85 4.56 1.91 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 1.23 0.49 0.95 0.00 0.00 344 P 0.00 4.65 0.00 1.94 2.02 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 345 F 9.20 4.88 0.00 3.19 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 0.00 346 S 7.49 3.94 0.00 3.74 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 347 T 8.23 3.64 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 1.19 0.00 0.00 348 S 7.78 4.14 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 V 7.78 3.75 2.10 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 0.76 0.00 0.00 1.04 0.00 0.00 350 L 7.72 4.09 0.00 1.87 1.82 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 351 K 7.95 4.26 0.00 1.74 1.86 0.00 1.76 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.41 7.81 352 Q 8.12 4.33 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 353 L 7.80 4.03 0.00 1.74 1.73 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 354 R 7.95 4.04 0.00 1.78 2.00 0.00 3.21 0.00 0.00 3.38 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 355 K 7.97 4.14 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 356 V 7.67 3.95 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 0.76 0.00 0.00 1.00 0.00 0.00 357 V 6.91 4.55 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 0.70 0.00 0.00 1.00 0.00 0.00 358 P 0.00 4.39 0.00 2.20 2.22 0.00 3.79 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 1.98 1.95 0.00 359 Q 7.46 4.77 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 360 A 8.41 4.70 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 0.00 361 S 8.66 4.39 0.00 3.84 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 0.00 362 I 8.19 5.03 1.83 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 0.57 0.86 0.00 0.00 363 S 8.88 4.85 0.00 3.57 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 0.00 364 C 8.43 4.81 0.00 2.76 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 0.00 365 R 8.82 4.18 0.00 1.56 1.74 0.00 3.41 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 366 N 9.57 4.26 0.00 2.92 2.78 0.00 0.00 6.97 7.02 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 0.00 367 F 7.52 4.69 0.00 3.10 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 0.00 368 P 0.00 4.06 0.00 2.02 1.93 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.55 0.00 369 L 6.61 4.87 0.00 1.89 1.67 1.10 0.88 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 0.00 370 S 8.85 4.54 0.00 4.05 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 0.00 371 P 0.00 4.18 0.00 2.17 2.29 0.00 3.60 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 2.10 2.11 0.00 372 I 7.70 3.71 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 1.65 1.50 0.92 0.00 0.00 373 E 8.12 3.95 0.00 2.35 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 374 L 8.20 3.99 0.00 1.89 1.86 0.96 0.70 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 0.00 375 R 8.25 3.85 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 376 Q 8.14 4.06 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 377 R 8.18 4.15 0.00 1.92 2.05 0.00 3.22 0.00 0.00 3.33 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 378 S 7.99 4.70 0.00 4.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 379 K 7.27 3.49 0.00 1.96 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 *381 A 8.15 4.07 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 0.00 382 D 7.83 5.15 0.00 2.78 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 0.00 383 G 8.28 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 384 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 0.00 385 E 8.50 4.49 0.00 1.97 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 2.24 2.25 0.00 386 K 7.68 4.78 0.00 1.67 1.79 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.40 7.81 387 T 8.79 5.10 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 1.00 0.00 0.00 388 L 8.19 5.14 0.00 1.46 1.47 0.88 0.64 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 *390 G 8.28 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 0.00 0.00 0.00 391 T 8.00 5.17 4.12 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 0.00 0.00 1.13 0.00 0.00 392 T 7.96 5.37 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 *394 A 8.69 4.47 1.44 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 0.00 395 D 7.87 4.59 0.00 2.84 2.89 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 0.00 396 G 8.24 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 0.00 397 K 8.00 4.16 0.00 1.93 1.78 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.53 7.81 398 K 8.57 4.70 0.00 1.89 1.83 0.00 1.44 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.36 7.81 399 V 9.12 5.13 2.11 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 0.88 0.00 0.00 0.97 0.00 0.00 400 L 9.15 4.86 0.00 1.54 1.46 1.12 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 401 L 8.19 5.00 0.00 1.38 1.42 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 402 L 8.81 4.82 0.00 1.68 1.56 0.87 0.35 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 0.00 403 L 8.94 5.37 0.00 1.27 1.28 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 404 R 8.54 5.09 0.00 1.90 2.11 0.00 2.79 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 405 K 8.80 4.32 0.00 1.66 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.51 7.81 406 A 8.97 4.25 1.44 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 0.00 407 E 7.90 4.21 0.00 1.94 1.65 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 2.11 1.84 0.00 * Residues marked with a * may have inaccurate shift predictions.