NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0986 8.2127 108.0258 46.5008 0.0000 171.6747 2 V 5.0264 8.2959 122.2276 59.8588 33.6179 174.2853 3 Y 5.0298 8.6504 123.8371 56.3200 42.3625 172.1776 4 H 5.1906 9.3452 119.7474 54.8678 31.9092 174.1277 5 R 4.7413 8.5951 123.0881 54.6159 34.2847 174.1885 6 E 4.9922 8.6924 121.6598 54.2257 32.0037 175.8629 7 A 4.1217 8.6247 124.4286 52.3585 19.0938 178.6703 8 R 3.9259 8.7401 120.6231 59.5806 30.0444 177.9785 9 S 4.2749 7.8777 109.6030 58.5293 63.8083 172.5464 10 G 3.7227 7.3076 106.5505 43.9641 0.0000 173.1415 11 K 4.0391 8.4589 121.3185 57.7022 33.2424 177.3948 12 Y 4.0190 9.2450 122.9877 59.6916 35.2815 170.6051 13 K 4.6748 7.9282 112.2587 55.6774 34.9728 176.3540 14 L 4.9213 8.2482 120.7948 53.0480 43.5299 176.8165 15 T 5.4219 8.6807 115.9856 60.6179 70.9624 175.0864 16 Y 2.4582 7.6321 121.3026 60.3730 38.4671 178.1080 17 A 3.5872 7.6042 120.9238 55.0172 18.3938 179.3509 18 E 3.8036 7.9542 116.5239 59.2301 29.5575 179.1749 19 A 4.0030 8.2543 121.2379 55.1465 18.4984 179.3893 20 K 3.6624 7.7574 117.7802 59.7340 32.1359 178.6689 21 A 3.9810 7.9762 120.8713 55.0937 18.3170 179.8088 22 V 3.6247 8.1457 117.0610 66.4508 31.5768 177.6625 23 C 4.3734 8.2722 116.2559 60.0661 41.2071 175.9890 24 E 4.3952 8.2275 121.5231 58.9660 28.8429 179.1164 25 F 4.3503 8.5404 120.0044 61.0130 39.4845 176.0260 26 E 4.2244 7.8314 114.9699 55.9839 29.6085 176.9527 27 G 4.0826 8.3061 107.7593 44.8075 0.0000 174.3789 28 G 4.2291 8.3517 108.7935 45.8044 0.0000 171.5584 29 H 5.4183 8.8003 119.2347 54.0093 34.2194 173.0791 30 L 4.6114 8.5809 119.4614 54.8870 42.1904 177.5009 31 A 4.5272 9.1830 125.7051 52.1023 19.6572 177.6766 32 T 4.4123 8.9045 111.4601 61.0756 70.1281 175.1422 33 Y 3.9265 8.8000 122.8967 61.1454 38.5958 178.7554 34 K 4.0226 8.1581 118.6288 59.3140 32.0671 179.3440 35 Q 3.7541 7.9706 118.5220 58.7743 28.6015 178.3112 36 L 3.8141 7.9700 121.6733 58.0532 41.9669 178.6442 37 E 3.6434 8.1046 119.2557 59.0766 29.0363 178.5550 38 A 3.9066 8.0535 120.6618 55.1317 18.4511 179.3252 39 A 3.9382 8.1557 119.4862 55.4190 18.4309 179.8390 40 R 4.3620 8.1262 118.4965 59.1063 29.9544 178.8822 41 K 4.1417 8.2416 117.5021 58.1536 31.9513 177.6125 42 I 4.3842 7.0125 111.1435 61.0944 37.6772 176.1843 43 G 4.0568 8.0058 107.5374 45.7840 0.0000 174.2105 44 F 4.6700 8.6631 124.0346 58.1318 40.2710 173.7118 45 H 4.9261 8.4535 125.8220 54.3204 32.4507 172.6347 46 V 4.1585 8.0322 125.2163 61.1917 34.2637 175.5767 47 C 4.1106 8.3533 130.8398 56.8993 29.9419 172.2522 48 A 4.4815 6.9938 120.4311 50.4712 22.1273 177.0204 49 A 4.2950 9.2995 126.1848 52.3798 19.6473 176.6336 50 G 4.6067 9.2033 108.0490 43.9353 0.0000 172.1543 51 W 5.1987 9.2167 122.3652 57.4233 30.5309 175.4129 52 M 5.3790 9.4938 119.5997 53.6912 34.5112 173.9662 53 A 4.1672 9.2253 121.3556 54.2303 18.8121 178.7949 54 K 4.0220 9.2693 119.0655 56.2977 29.9665 177.1891 55 G 3.5101 8.0751 107.1758 45.6586 0.0000 173.7023 56 R 4.5596 7.6471 119.3521 56.1321 31.4697 175.5095 57 V 4.5238 7.8564 123.4756 61.2654 34.9220 175.0785 58 G 3.8995 8.2091 112.0433 47.0482 0.0000 171.2022 59 Y 4.9450 7.2051 115.4615 55.1632 41.8245 171.9222 60 P 4.6296 0.0000 0.0000 62.0476 33.4533 174.3710 61 I 4.4032 8.5965 125.3602 59.7312 39.0293 176.4290 62 V 3.8651 8.8553 126.2982 63.8429 32.4232 176.0806 63 K 4.5866 7.8187 117.5784 53.5611 34.7720 174.3302 64 P 4.4480 0.0000 0.0000 62.1985 32.1127 176.5754 *72 K 4.0629 8.1190 117.4836 56.3075 32.2768 175.2463 73 T 3.9223 8.0178 116.2746 63.2080 69.4548 173.2076 74 G 3.6230 8.2268 108.7329 43.8310 0.0000 172.2857 75 I 4.2579 7.9018 120.1069 60.5449 38.1987 176.2447 76 I 3.7417 7.9315 128.9719 60.7693 38.0320 174.4550 77 D 4.8129 8.5498 127.7892 53.2563 41.6776 175.3280 78 Y 4.5012 8.8166 123.8724 57.6338 38.7935 176.9209 79 G 3.9021 8.7007 107.5367 44.7870 0.0000 172.9910 80 I 4.3476 7.9322 119.6805 60.6928 37.3059 176.4101 81 R 4.2769 8.4066 125.6646 55.3589 30.7804 176.5379 82 L 3.9533 8.8133 125.2146 57.8171 42.3866 176.4502 83 N 4.7213 8.0799 120.0710 52.3945 38.2462 174.9211 84 R 4.4193 8.5645 124.4494 57.1341 30.3931 178.0287 85 S 4.6531 8.4383 112.4066 57.9107 63.8362 174.4795 86 E 4.1147 8.3092 121.5723 56.9140 29.8056 175.9767 87 R 5.1155 7.9662 120.3388 54.5038 32.2291 175.3831 88 W 5.0073 9.2400 123.0583 56.0519 33.7482 172.7490 89 D 5.4112 8.8677 120.8218 54.3542 43.6118 175.3813 90 A 5.2111 8.4518 120.1706 51.4658 23.3046 175.4112 91 Y 4.8602 9.1397 119.2787 56.6829 40.1977 174.4349 92 C 5.1610 8.7781 122.5342 55.3387 38.6872 172.3194 93 Y 5.1627 9.0571 123.1266 56.0354 40.9627 174.0978 94 N 4.5070 8.6407 125.6504 50.8760 40.9164 172.3680 95 P 4.2693 0.0000 0.0000 62.6393 31.5541 176.6344 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.21 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 8.30 5.03 1.70 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 0.78 0.00 0.00 0.97 0.00 0.00 3 Y 8.65 5.03 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 9.35 5.19 0.00 3.39 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.60 4.74 0.00 1.72 1.79 0.00 3.46 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 6 E 8.69 4.99 0.00 1.85 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 2.56 2.30 0.00 7 A 8.62 4.12 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 8 R 8.74 3.93 0.00 1.79 2.00 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 9 S 7.88 4.27 0.00 4.02 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 10 G 7.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.46 4.04 0.00 1.69 1.54 0.00 1.64 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.41 0.96 7.81 12 Y 9.25 4.02 0.00 3.03 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 13 K 7.93 4.67 0.00 1.91 1.79 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.46 7.81 14 L 8.25 4.92 0.00 2.13 1.70 1.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.68 5.42 4.41 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 1.30 0.00 0.00 16 Y 7.63 2.46 0.00 1.43 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 17 A 7.60 3.59 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 18 E 7.95 3.80 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 19 A 8.25 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.76 3.66 0.00 1.30 1.62 0.00 1.42 0.00 0.00 1.25 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 21 A 7.98 3.98 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 22 V 8.15 3.62 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 1.13 0.00 0.00 1.02 0.00 0.00 23 C 8.27 4.37 0.00 3.03 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 24 E 8.23 4.40 0.00 2.22 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 2.32 2.34 0.00 25 F 8.54 4.35 0.00 2.95 3.33 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 26 E 7.83 4.22 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 27 G 8.31 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.35 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 0.00 0.00 0.00 0.00 29 H 8.80 5.42 0.00 3.19 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.58 4.61 0.00 1.65 1.83 1.00 1.01 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 31 A 9.18 4.53 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 32 T 8.90 4.41 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 33 Y 8.80 3.93 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.16 4.02 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.66 7.81 35 Q 7.97 3.75 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 36 L 7.97 3.81 0.00 1.58 1.49 0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.10 3.64 0.00 1.58 1.89 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 2.27 2.30 0.00 38 A 8.05 3.91 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 39 A 8.16 3.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.13 4.36 0.00 1.98 2.04 0.00 3.32 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 41 K 8.24 4.14 0.00 1.89 1.86 0.00 1.95 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.44 7.81 42 I 7.01 4.38 1.90 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 1.46 0.77 0.92 0.00 0.00 43 G 8.01 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 44 F 8.66 4.67 0.00 3.17 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 45 H 8.45 4.93 0.00 3.07 3.04 0.00 5.94 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.03 4.16 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 0.53 0.00 0.00 0.48 0.00 0.00 47 C 8.35 4.11 0.00 2.93 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 48 A 6.99 4.48 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 49 A 9.30 4.30 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 50 G 9.20 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 9.22 5.20 0.00 3.50 3.42 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 52 M 9.49 5.38 0.00 2.21 2.51 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.80 0.00 53 A 9.23 4.17 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 54 K 9.27 4.02 0.00 2.00 2.03 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.47 7.81 55 G 8.08 3.51 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 0.00 56 R 7.65 4.56 0.00 1.99 1.90 0.00 3.18 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 57 V 7.86 4.52 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 -0.33 0.00 0.00 -0.47 0.00 0.00 58 G 8.21 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 59 Y 7.21 4.94 0.00 3.16 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 60 P 0.00 4.63 0.00 2.16 2.03 0.00 3.66 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 61 I 8.60 4.40 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.95 0.99 0.00 0.00 62 V 8.86 3.87 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 0.83 0.00 0.00 0.98 0.00 0.00 63 K 7.82 4.59 0.00 1.68 1.66 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81 64 P 0.00 4.45 0.00 2.19 2.16 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 *72 K 8.12 4.06 0.00 1.89 1.95 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 73 T 8.02 3.92 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 1.25 0.00 0.00 74 G 8.23 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.90 4.26 1.77 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.42 0.73 0.00 0.00 76 I 7.93 3.74 0.56 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.54 0.80 0.00 0.00 77 D 8.55 4.81 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.82 4.50 0.00 2.47 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 79 G 8.70 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 80 I 7.93 4.35 1.86 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 1.49 0.56 0.98 0.00 0.00 81 R 8.41 4.28 0.00 2.23 2.07 0.00 3.45 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.38 0.00 82 L 8.81 3.95 0.00 1.61 1.74 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.08 4.72 0.00 2.92 2.84 0.00 0.00 7.19 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 84 R 8.56 4.42 0.00 1.89 1.84 0.00 2.66 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.48 0.00 85 S 8.44 4.65 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.31 4.11 0.00 2.55 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 2.39 2.60 0.00 87 R 7.97 5.12 0.00 1.66 1.97 0.00 3.15 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 88 W 9.24 5.01 0.00 2.75 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 89 D 8.87 5.41 0.00 2.96 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 90 A 8.45 5.21 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 91 Y 9.14 4.86 0.00 3.15 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 92 C 8.78 5.16 0.00 1.42 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 93 Y 9.06 5.16 0.00 2.93 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 94 N 8.64 4.51 0.00 2.79 2.73 0.00 0.00 7.30 7.18 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 95 P 0.00 4.27 0.00 2.17 1.90 0.00 3.48 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.