NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1574 8.1127 120.8648 56.6758 30.0430 176.2021 3 V 2.9144 8.5204 123.2004 61.7900 31.4857 171.3247 4 K 4.7152 9.3432 120.1784 56.7024 33.8502 175.7215 5 M 4.3288 8.1091 118.9744 56.6961 32.4185 175.3216 6 H 4.9226 8.7897 116.4854 55.1051 30.8609 174.3479 7 V 2.9325 6.7782 109.4230 62.5546 32.3799 178.3584 8 K 4.6509 7.3081 121.4491 55.2178 35.7725 176.3736 9 K 4.4407 7.7977 122.8878 57.2644 34.8428 177.4575 10 G 4.0023 8.9237 106.0382 45.1896 0.0000 173.6466 11 D 4.6941 7.5805 121.1984 52.9289 41.6009 174.0513 12 T 4.7815 8.3102 115.0097 62.6355 70.4904 174.4431 13 V 4.7602 8.6113 118.0622 59.4997 36.8074 173.8791 14 L 4.9688 9.6554 124.0040 53.3457 44.5448 175.8098 15 V 4.2702 8.6549 125.9642 62.7146 32.9225 176.0863 16 A 4.8262 8.5645 124.7231 50.5793 21.4684 177.6198 17 S 4.6308 8.5657 109.8854 59.0994 64.0074 176.3354 18 G 3.9484 9.3425 107.0499 45.2361 0.0000 173.6994 19 K 3.6944 9.7953 120.5433 59.7188 32.9423 175.5793 20 Y 4.2982 7.8156 111.8968 57.2474 38.1342 174.9265 21 K 4.0134 8.3616 122.0019 58.1518 32.7447 174.3226 22 G 4.3047 8.7232 115.2043 45.7758 0.0000 174.5465 23 R 4.0720 7.8072 118.6522 56.3428 31.0665 176.3361 24 V 4.6381 8.3979 122.7354 61.8045 33.6353 174.6860 25 G 4.1917 9.0286 112.5760 44.6281 0.0000 172.6169 26 K 4.5840 8.3654 124.8695 55.6589 31.6779 176.4642 27 V 3.9503 8.6714 115.8721 62.6791 32.0382 176.8138 28 K 4.4069 7.8204 124.3305 57.5434 32.7342 176.8996 29 E 3.7430 7.7479 113.7235 57.6353 25.4230 175.3772 30 V 3.8711 7.4903 125.0169 62.3558 31.7460 174.2242 31 L 4.3997 7.6567 120.8376 54.2719 43.1247 175.4010 32 P 4.9191 0.0000 0.0000 62.4122 32.3215 177.0586 33 K 3.8408 8.4854 119.8388 60.5535 31.8312 178.3315 34 K 4.0866 8.0224 114.0745 56.5344 33.1872 175.7632 35 Y 3.2686 8.4454 120.2064 58.5005 36.8261 167.0660 36 A 5.2333 7.0630 122.7470 50.8769 23.7994 174.5336 37 V 4.8839 7.8036 112.1067 59.9821 33.1654 175.6169 38 I 4.6034 8.5754 119.9070 63.6998 46.2398 175.4983 39 V 3.1519 6.7256 119.8142 64.1922 31.7147 173.5909 40 E 4.6264 8.6968 113.7545 55.5462 31.9018 175.3821 41 G 3.5665 7.1852 110.5145 46.1933 0.0000 174.8121 42 V 2.3070 5.4500 109.4556 63.3597 28.7375 171.6821 43 N 5.4679 8.4016 123.4870 51.0466 40.9278 173.9994 44 I 4.7655 8.0742 123.1461 59.4254 41.2779 175.2206 45 V 4.0890 8.4988 125.2018 61.5143 32.5404 174.3332 46 K 4.6301 8.7398 124.3037 56.2322 30.7981 176.7500 47 K 4.1503 8.1778 124.5320 58.1031 36.6167 172.0096 48 A 3.5836 7.7650 127.2348 50.4639 18.9299 177.6829 49 V 5.2091 9.0578 129.4585 63.8651 34.8589 172.0414 50 R 3.7096 6.8341 115.6074 56.2287 31.6370 176.9148 51 V 4.0194 8.7528 130.8664 62.5539 31.3294 173.6031 52 S 4.8440 7.4572 111.3454 56.0325 64.9044 172.2805 53 P 4.4260 0.0000 0.0000 61.8789 30.5721 175.2066 54 K 3.7008 7.7907 120.1549 57.6314 33.0479 177.1451 55 Y 3.6348 7.7600 123.5519 56.3663 36.6193 167.2066 56 P 4.4541 0.0000 0.0000 66.1583 31.8479 176.1084 57 Q 4.5697 7.4272 114.5558 56.1785 32.7806 173.4895 58 G 3.9605 8.8728 106.8806 44.9646 0.0000 172.8966 59 G 4.1285 8.1484 108.8497 45.0275 0.0000 173.6893 60 F 5.7549 8.5559 120.2309 56.4912 41.3648 176.5178 61 I 3.6919 8.1201 121.1389 63.1351 36.5423 172.5523 62 E 3.5891 8.2192 128.0616 55.4224 27.7120 173.9673 63 K 4.2278 8.3358 123.0911 56.3223 33.1442 175.9057 64 E 4.4675 8.6507 119.1846 56.4640 30.5836 176.2700 65 A 4.2258 7.8747 123.1180 50.9632 21.0188 176.5985 66 P 3.1056 0.0000 0.0000 58.7536 32.5639 171.1833 67 L 3.6162 8.0256 127.8786 54.3691 43.3479 173.7320 68 H 4.3788 8.8089 125.3394 56.4622 30.0815 175.5035 69 A 3.9743 8.1275 127.5237 53.5688 17.9802 177.5017 70 S 4.6799 8.2309 112.2773 59.6438 64.1036 175.5934 71 K 4.2416 8.1629 119.6560 59.3860 32.7173 178.1387 72 V 4.5001 7.7010 111.2321 61.2273 32.3391 176.1576 73 R 4.7897 9.0925 121.0576 53.8336 35.1011 173.9726 74 P 4.6645 0.0000 0.0000 64.0190 32.4193 174.3371 75 I 4.4330 7.6395 117.7705 61.2708 40.3136 172.7517 76 C 4.5522 9.0004 124.0907 59.9535 34.3192 171.6451 77 P 4.0550 0.0000 0.0000 62.2179 29.2388 173.5316 78 A 4.7292 6.7507 125.0656 52.2796 21.2365 175.5497 79 C 4.7676 7.9669 112.3673 58.8899 28.9614 175.0821 80 G 3.5468 8.3272 104.6347 43.8273 0.0000 171.6049 81 K 3.4983 8.2047 117.8299 55.4318 31.2862 173.9194 82 P 4.5255 0.0000 0.0000 62.9831 31.2496 174.7874 83 T 4.8269 8.1193 111.4792 61.3253 70.7771 173.4910 84 R 4.8322 8.8617 122.8713 54.5689 35.3081 174.0127 85 V 4.4969 8.3408 119.2370 61.2583 33.8866 174.5024 86 R 4.6461 8.7149 127.4914 54.1958 31.6712 176.0966 87 K 3.8977 8.6981 121.4872 58.7816 32.9284 178.9625 88 K 3.5146 8.0042 119.1194 54.2715 30.3364 175.7076 89 F 3.7019 8.2828 119.0134 57.8520 36.9947 173.6408 90 L 4.7350 7.2356 128.1738 55.7967 38.3523 174.6158 91 E 4.5552 6.6827 120.2421 55.5921 28.9755 177.3782 92 N 5.3702 7.2436 123.2185 54.5983 42.3591 173.9766 93 G 4.2943 7.9791 113.2489 43.8815 0.0000 169.5188 94 K 5.0627 8.2338 118.2960 54.1260 34.2316 176.0895 95 K 4.6012 8.4869 124.8582 55.2468 33.5627 177.4618 96 I 4.3903 8.1964 128.8255 61.7523 35.5935 179.2668 97 R 4.2527 8.2630 126.5804 55.8306 29.9956 174.5468 98 V 3.2531 8.7452 125.9451 62.2846 29.4026 170.0554 99 C 4.5754 7.2366 116.6764 60.9345 32.5631 173.4808 100 A 4.2934 8.7393 122.2412 53.1028 21.3368 177.8157 101 K 3.5691 7.8613 124.7146 56.7213 32.9348 176.0418 *102 C 4.3630 8.4655 114.1850 58.1651 28.5244 169.3583 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 R 8.11 4.16 0.00 1.84 1.94 0.00 3.47 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 3 V 8.52 2.91 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 0.81 0.00 0.00 0.94 0.00 0.00 4 K 9.34 4.72 0.00 1.84 1.84 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.75 7.81 5 M 8.11 4.33 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 6 H 8.79 4.92 0.00 3.25 3.37 0.00 5.56 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 7 V 6.78 2.93 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 0.73 0.00 0.00 1.01 0.00 0.00 8 K 7.31 4.65 0.00 1.63 1.88 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.45 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 9 K 7.80 4.44 0.00 1.83 0.93 0.00 1.46 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.40 7.81 10 G 8.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.58 4.69 0.00 2.90 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 12 T 8.31 4.78 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 1.28 0.00 0.00 13 V 8.61 4.76 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 0.66 0.00 0.00 0.91 0.00 0.00 14 L 9.66 4.97 0.00 1.75 1.49 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.65 4.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 16 A 8.56 4.83 1.24 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 0.00 0.00 0.00 17 S 8.57 4.63 0.00 4.04 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 18 G 9.34 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 19 K 9.80 3.69 0.00 1.80 2.15 0.00 2.03 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.94 1.37 7.81 20 Y 7.82 4.30 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.36 4.01 0.00 1.77 1.90 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 22 G 8.72 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 23 R 7.81 4.07 0.00 1.93 1.94 0.00 3.13 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 24 V 8.40 4.64 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 0.82 0.00 0.00 0.94 0.00 0.00 25 G 9.03 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 26 K 8.37 4.58 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.41 7.81 27 V 8.67 3.95 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.95 0.00 0.00 28 K 7.82 4.41 0.00 1.90 1.96 0.00 1.34 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.38 1.45 7.81 29 E 7.75 3.74 0.00 2.01 2.31 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 2.24 2.33 0.00 30 V 7.49 3.87 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.84 0.00 0.00 31 L 7.66 4.40 0.00 1.63 1.61 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.92 0.00 2.05 2.16 0.00 3.73 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 1.96 1.97 0.00 33 K 8.49 3.84 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 34 K 8.02 4.09 0.00 1.76 1.88 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.43 7.81 35 Y 8.45 3.27 0.00 3.09 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 36 A 7.06 5.23 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 37 V 7.80 4.88 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 0.95 0.00 0.00 0.96 0.00 0.00 38 I 8.58 4.60 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.90 0.98 0.00 0.00 39 V 6.73 3.15 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 0.72 0.00 0.00 0.90 0.00 0.00 40 E 8.70 4.63 0.00 1.94 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 2.20 2.23 0.00 41 G 7.19 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 42 V 5.45 2.31 1.96 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 0.92 0.00 0.00 0.62 0.00 0.00 43 N 8.40 5.47 0.00 2.72 2.72 0.00 0.00 6.70 6.87 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 44 I 8.07 4.77 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 1.15 0.60 0.94 0.00 0.00 45 V 8.50 4.09 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 1.13 0.00 0.00 1.02 0.00 0.00 46 K 8.74 4.63 0.00 1.60 0.74 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.39 7.81 47 K 8.18 4.15 0.00 1.56 1.73 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.44 7.81 48 A 7.77 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 9.06 5.21 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 0.86 0.00 0.00 0.92 0.00 0.00 50 R 6.83 3.71 0.00 2.08 1.95 0.00 3.29 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 1.60 1.64 0.00 51 V 8.75 4.02 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 0.81 0.00 0.00 0.93 0.00 0.00 52 S 7.46 4.84 0.00 4.14 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 53 P 0.00 4.43 0.00 2.09 2.14 0.00 3.70 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 2.06 2.12 0.00 54 K 7.79 3.70 0.00 1.81 1.85 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.39 1.14 7.81 55 Y 7.76 3.63 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.45 0.00 2.10 2.20 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 57 Q 7.43 4.57 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 58 G 8.87 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 0.00 0.00 0.00 59 G 8.15 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 60 F 8.56 5.75 0.00 3.04 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 61 I 8.12 3.69 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.77 0.94 0.00 0.00 62 E 8.22 3.59 0.00 2.25 2.30 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 2.38 2.26 0.00 63 K 8.34 4.23 0.00 1.68 1.80 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.50 7.81 64 E 8.65 4.47 0.00 1.78 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 2.26 2.33 0.00 65 A 7.87 4.23 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 66 P 0.00 3.11 0.00 1.98 2.01 0.00 3.75 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 2.00 2.12 0.00 67 L 8.03 3.62 0.00 1.98 1.63 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.81 4.38 0.00 3.24 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.13 3.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.23 4.68 0.00 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.16 4.24 0.00 1.75 1.88 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.76 1.47 7.81 72 V 7.70 4.50 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 0.67 0.00 0.00 0.90 0.00 0.00 73 R 9.09 4.79 0.00 1.66 1.75 0.00 3.16 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 74 P 0.00 4.66 0.00 2.10 2.23 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.98 0.00 75 I 7.64 4.43 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 1.28 1.79 0.98 0.00 0.00 76 C 9.00 4.55 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.05 0.00 2.15 2.14 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 1.96 2.06 0.00 78 A 6.75 4.73 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 79 C 7.97 4.77 0.00 3.09 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 80 G 8.33 3.55 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 0.00 0.00 0.00 81 K 8.20 3.50 0.00 1.86 1.80 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.44 7.81 82 P 0.00 4.53 0.00 2.04 2.07 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 T 8.12 4.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 84 R 8.86 4.83 0.00 1.76 1.77 0.00 3.12 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 85 V 8.34 4.50 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 0.83 0.00 0.00 0.94 0.00 0.00 86 R 8.71 4.65 0.00 1.91 1.73 0.00 3.16 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 87 K 8.70 3.90 0.00 2.08 2.08 0.00 1.73 0.00 0.00 2.36 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.57 7.81 88 K 8.00 3.51 0.00 1.94 2.22 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.48 7.81 89 F 8.28 3.70 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.24 4.73 0.00 1.85 1.91 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 91 E 6.68 4.56 0.00 1.99 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 2.26 2.37 0.00 92 N 7.24 5.37 0.00 2.71 2.73 0.00 0.00 6.92 9.18 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 93 G 7.98 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.23 5.06 0.00 1.95 1.96 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.27 7.81 95 K 8.49 4.60 0.00 1.74 1.76 0.00 1.66 0.00 0.00 2.03 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.47 7.81 96 I 8.20 4.39 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 1.30 0.50 0.98 0.00 0.00 97 R 8.26 4.25 0.00 1.71 1.82 0.00 3.39 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 98 V 8.75 3.25 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 0.81 0.00 0.00 0.93 0.00 0.00 99 C 7.24 4.58 0.00 2.94 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 0.00 100 A 8.74 4.29 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 0.00 101 K 7.86 3.57 0.00 1.72 1.82 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81 *102 C 8.47 4.36 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.