NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4920 8.2893 118.7996 54.2019 33.6553 174.1462 4 S 4.4329 7.2544 110.2970 56.5358 65.5224 173.9020 5 D 4.4161 9.4222 119.4971 57.7061 41.9221 179.1969 6 L 4.0967 7.8830 118.7957 57.3281 41.6471 179.2706 7 V 3.7323 7.3912 118.7677 66.2783 31.3463 177.9415 8 T 3.9416 7.5119 116.0816 66.5885 68.1678 176.5476 9 K 4.0189 7.7832 121.0241 58.9568 32.2964 178.5791 10 F 4.4465 8.1824 121.2746 61.3890 39.2035 176.5246 11 E 3.9020 7.7281 115.5957 57.7588 29.5015 178.2870 12 S 4.3519 7.7478 113.8100 58.1329 63.1062 173.3662 13 L 4.6672 7.0216 126.4696 53.4036 44.6703 177.8099 14 I 3.8212 8.2330 121.2773 61.5177 35.2957 176.4051 15 I 4.3683 8.5797 113.0265 61.9466 39.6733 175.7921 16 S 3.9350 7.1224 121.1866 59.5553 62.3910 180.1344 17 K 3.9674 8.6028 127.6570 53.7942 30.0893 171.4165 *18 Y 4.5504 6.9607 113.4581 58.5194 39.5116 166.2570 19 P 4.4274 0.0000 0.0000 67.2062 32.8305 175.8520 20 V 2.7664 7.2751 113.8346 60.1321 33.2522 174.8143 21 S 5.8004 8.8293 113.7343 57.0052 63.0252 169.4041 22 F 4.5874 8.2608 121.4747 57.8024 40.4268 175.2770 23 T 4.2151 8.8136 124.7496 62.6275 70.3652 175.3605 24 K 3.8590 8.6561 123.1722 60.1743 32.0358 178.2925 25 E 4.0233 8.2099 117.9072 59.9598 29.3215 179.3541 26 Q 3.9046 7.8670 117.1264 58.8232 28.5964 179.1577 27 S 4.4283 8.2599 116.1838 61.7570 63.0663 176.6055 28 A 4.1167 7.7351 121.7747 54.8757 17.9819 179.5923 29 Q 3.9559 7.9192 116.4536 59.2575 28.7212 178.6546 30 A 4.4083 7.9171 120.1124 54.4644 18.6287 178.9940 31 A 4.1029 7.8945 120.4276 55.2901 18.5229 179.7794 32 Q 3.8874 8.0348 116.2529 58.2138 27.1091 178.2699 33 W 4.5236 8.0369 119.6961 58.0833 29.1996 177.6719 34 E 4.5508 8.4064 118.5465 58.5506 29.7449 178.5526 35 S 4.1293 7.9399 114.7815 61.0036 62.6263 176.2454 36 V 3.5701 7.7447 121.8996 66.0630 30.9548 178.1123 37 L 4.2114 7.4584 118.6223 58.0888 41.4878 179.9829 38 K 4.1845 7.8298 123.3814 59.8532 31.7839 181.7610 39 S 4.4888 7.9359 114.7920 59.6002 62.9158 175.4626 40 G 4.0167 7.7429 107.7031 45.2262 0.0000 173.4241 41 Q 4.5335 7.6914 121.3965 55.6226 29.0777 177.4091 42 I 3.6805 8.1893 115.7000 61.4245 35.3458 182.1723 43 Q 3.5096 7.5689 118.4144 58.2232 32.1358 176.4467 44 P 4.6288 0.0000 0.0000 64.0692 31.2901 176.1448 45 H 4.9611 9.3679 115.7615 55.6121 30.0099 175.3761 46 L 4.1349 8.4867 123.1893 58.3484 41.1367 179.2555 47 D 4.4985 8.1935 117.0922 57.3958 41.0027 178.4195 48 Q 4.1976 8.2129 118.0872 59.0217 28.8588 178.0524 49 L 3.7570 8.4562 121.2283 58.6800 41.7441 178.7988 50 N 4.3664 8.2045 115.6434 56.3080 39.1862 176.5078 51 L 4.0654 8.2084 122.1608 58.1026 42.3022 178.7227 52 V 3.5975 7.9294 117.7332 66.3233 31.1891 177.4915 53 L 4.3933 7.8192 116.9262 55.4772 41.4710 179.0204 54 R 3.5110 7.5348 119.2487 59.3413 30.1885 177.5711 55 D 4.4411 7.8047 116.4293 55.3452 41.6625 176.4402 56 N 4.7714 7.4557 117.1718 51.5963 39.9831 176.2887 57 T 3.5362 8.4117 119.8771 65.8429 68.9702 174.2116 58 F 5.0964 7.3889 117.4783 55.1780 43.1242 175.5332 59 I 3.3573 9.0470 124.2451 64.4309 36.8101 178.2013 60 V 4.1470 7.7287 116.8239 62.6768 32.1286 175.6369 61 S 3.7096 7.9231 110.5813 59.5585 60.2969 171.3335 62 T 4.7828 7.3540 108.2189 59.3620 72.2609 174.6204 63 L 4.0280 8.5099 123.6646 57.3257 42.3481 176.1488 64 Y 4.8414 7.4432 113.3818 54.8311 41.8153 173.0901 65 P 3.7306 0.0000 0.0000 62.7708 31.4793 176.9883 66 T 4.6059 8.2346 113.1537 60.2304 71.0948 175.8042 67 S 3.6150 8.6835 115.5606 61.7705 62.8378 176.0586 68 T 3.9993 8.1269 119.1434 66.8605 67.9995 175.7599 69 D 4.8720 7.9103 118.8241 56.6298 40.6490 178.5921 70 V 3.8226 7.9651 118.7048 65.0921 31.7952 177.0719 71 H 4.1587 7.9749 115.4135 59.1873 28.5180 177.5453 72 V 3.7317 8.0216 119.5243 66.2146 31.4306 177.7384 73 F 4.0516 8.0304 120.4931 61.1569 38.8199 176.6978 74 E 3.7190 8.3281 118.5530 59.3260 29.5872 178.7664 75 V 3.7178 7.3402 116.0541 65.4620 31.8547 177.5810 76 A 4.1344 8.2377 121.3258 54.6711 18.4286 179.1147 77 L 3.6163 7.4362 118.8572 57.7741 41.9276 177.5848 78 P 4.1092 0.0000 0.0000 65.5881 31.4304 178.1436 79 L 3.8748 7.9564 118.5849 58.3754 41.8599 179.1592 80 I 3.7043 7.8359 119.7456 64.2327 36.7317 178.5983 81 K 4.0726 7.8887 119.0137 59.4381 32.4833 178.6940 82 D 4.3061 8.3538 120.3985 57.2974 41.2440 178.1880 83 L 4.1007 7.5147 118.3595 58.3214 40.2412 179.1482 84 V 3.7195 7.5459 118.1923 65.5045 31.4560 177.5200 85 A 4.1428 7.4392 119.9030 55.0840 18.4791 179.3026 86 S 4.2451 7.8144 109.7656 58.7206 63.6046 174.5960 87 S 4.2332 7.2975 117.6292 58.8814 62.7818 173.7876 88 K 4.2521 8.6655 125.4459 57.9929 32.8348 176.9444 89 D 4.3408 8.2208 118.3493 56.0308 42.0493 176.8343 90 V 3.4896 9.0128 122.4645 63.7813 28.1982 175.5649 91 K 4.2630 9.1234 125.9083 53.5060 29.4693 174.9336 92 S 4.5601 7.4233 112.0615 59.7883 64.2640 177.2601 93 T 3.9990 7.4404 116.1121 67.2757 68.8922 175.2371 94 Y 4.0861 8.4939 117.7702 61.8544 38.1711 178.5223 95 T 4.0640 8.0742 108.9798 64.9318 69.2548 176.6697 96 T 3.7570 8.2924 118.7123 65.8375 68.7242 174.1197 97 Y 4.9092 8.1949 119.8879 56.8251 39.2198 177.5561 98 R 3.9130 7.9318 118.2706 59.1857 29.7342 177.1990 99 H 4.4060 7.8580 116.9384 58.7092 28.9496 177.4276 100 I 3.9042 7.8010 121.1433 64.3400 36.9545 178.3507 101 L 4.0234 7.8511 120.3734 57.6552 41.4888 179.5652 102 R 4.1174 8.0320 115.4136 58.3533 29.5131 178.8169 103 W 4.2089 8.0923 129.7110 60.6056 30.8171 177.5212 104 I 3.6398 8.1585 119.8842 64.8953 36.1713 177.6136 105 D 4.6966 8.1315 119.6217 57.2332 40.9568 177.5428 106 Y 3.9810 8.0574 119.9058 61.0719 38.7891 177.9226 107 M 3.7033 8.2378 119.8913 57.8643 32.0382 178.9098 108 Q 3.8283 8.2185 118.3942 59.0808 28.4433 178.1629 109 N 4.4265 7.5351 118.0245 55.4420 38.3988 177.2265 110 L 3.7161 7.2499 121.7974 57.5231 42.2346 177.4392 111 L 4.4098 7.8682 116.1563 53.5927 41.9080 176.4086 112 E 3.7165 7.4246 116.3879 57.2770 27.4822 175.6071 113 V 3.7525 7.6509 116.9237 62.7645 32.8325 175.8874 114 S 4.5435 8.2656 119.6916 57.1089 64.7382 174.6850 115 S 4.3205 8.7864 116.6108 61.1863 64.1818 175.1331 116 T 4.2083 8.1441 111.6372 60.3813 68.4011 182.1159 117 D 4.3372 9.8558 120.2663 55.3824 39.9346 174.9655 118 K 3.8904 5.6600 122.6332 57.0486 33.6744 174.2646 119 L 4.7052 7.9726 122.4314 52.5487 43.6031 174.9577 120 E 3.3528 8.2304 122.5931 56.6580 29.9621 173.5632 121 I 3.1183 7.6888 135.0000 60.7280 36.4268 173.2160 122 N 4.4630 9.2970 126.5029 55.0854 39.4732 174.8151 123 H 4.5409 8.2171 119.0602 56.2060 28.3484 174.9631 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 3 M 8.29 4.49 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 4 S 7.25 4.43 0.00 4.04 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 5 D 9.42 4.42 0.00 2.74 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 6 L 7.88 4.10 0.00 1.77 1.73 1.01 0.90 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 7 V 7.39 3.73 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 1.13 0.00 0.00 0.99 0.00 0.00 8 T 7.51 3.94 4.46 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 1.21 0.00 0.00 9 K 7.78 4.02 0.00 1.74 1.87 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 10 F 8.18 4.45 0.00 3.15 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 11 E 7.73 3.90 0.00 2.01 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 2.21 2.31 0.00 12 S 7.75 4.35 0.00 4.00 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 13 L 7.02 4.67 0.00 1.77 1.31 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.23 3.82 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 1.47 0.80 0.91 0.00 0.00 15 I 8.58 4.37 1.46 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 1.02 0.81 0.70 0.00 0.00 16 S 7.12 3.93 0.00 3.65 3.71 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 17 K 8.60 3.97 0.00 1.86 2.04 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 0.95 7.81 *18 Y 6.96 4.55 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.43 0.00 2.17 2.18 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 20 V 7.28 2.77 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 0.70 0.00 0.00 0.93 0.00 0.00 21 S 8.83 5.80 0.00 3.72 3.87 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 22 F 8.26 4.59 0.00 3.03 3.26 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 23 T 8.81 4.22 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 1.21 0.00 0.00 24 K 8.66 3.86 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 25 E 8.21 4.02 0.00 2.06 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 2.38 2.46 0.00 26 Q 7.87 3.90 0.00 1.68 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 27 S 8.26 4.43 0.00 3.98 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 28 A 7.74 4.12 1.40 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 0.00 0.00 29 Q 7.92 3.96 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 30 A 7.92 4.41 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.89 4.10 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 32 Q 8.03 3.89 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.22 1.42 0.00 33 W 8.04 4.52 0.00 3.49 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 34 E 8.41 4.55 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 35 S 7.94 4.13 0.00 4.04 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 36 V 7.74 3.57 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 1.05 0.00 0.00 0.46 0.00 0.00 37 L 7.46 4.21 0.00 1.89 1.77 1.06 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.83 4.18 0.00 1.87 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 S 7.94 4.49 0.00 4.03 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 40 G 7.74 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 41 Q 7.69 4.53 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 42 I 8.19 3.68 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 0.73 0.91 0.00 0.00 43 Q 7.57 3.51 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.06 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 44 P 0.00 4.63 0.00 2.19 2.15 0.00 3.81 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 2.22 2.17 0.00 45 H 9.37 4.96 0.00 3.38 3.46 0.00 5.83 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.49 4.13 0.00 1.86 1.93 0.69 1.30 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 47 D 8.19 4.50 0.00 2.71 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 48 Q 8.21 4.20 0.00 2.51 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 49 L 8.46 3.76 0.00 1.72 1.92 -0.27 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.20 4.37 0.00 3.04 3.04 0.00 0.00 7.21 7.24 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 51 L 8.21 4.07 0.00 1.92 1.94 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.93 3.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.27 0.00 0.00 53 L 7.82 4.39 0.00 1.57 1.56 0.38 0.22 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 54 R 7.53 3.51 0.00 1.58 2.11 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 55 D 7.80 4.44 0.00 2.63 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 56 N 7.46 4.77 0.00 2.79 2.70 0.00 0.00 7.05 7.08 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 57 T 8.41 3.54 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 58 F 7.39 5.10 0.00 3.14 3.24 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 59 I 9.05 3.36 1.75 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 0.36 0.25 0.40 0.00 0.00 60 V 7.73 4.15 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 0.61 0.00 0.00 1.04 0.00 0.00 61 S 7.92 3.71 0.00 3.98 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 62 T 7.35 4.78 4.35 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 1.29 0.00 0.00 63 L 8.51 4.03 0.00 1.50 1.61 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.44 4.84 0.00 2.95 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 65 P 0.00 3.73 0.00 1.92 1.69 0.00 3.72 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.39 0.00 66 T 8.23 4.61 4.40 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 1.42 0.00 0.00 67 S 8.68 3.62 0.00 4.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.13 4.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 69 D 7.91 4.87 0.00 2.94 2.94 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 70 V 7.97 3.82 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 1.02 0.00 0.00 0.12 0.00 0.00 71 H 7.97 4.16 0.00 3.28 3.40 0.00 5.68 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 72 V 8.02 3.73 2.44 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 1.13 0.00 0.00 1.03 0.00 0.00 73 F 8.03 4.05 0.00 2.66 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 74 E 8.33 3.72 0.00 2.02 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 2.31 2.28 0.00 75 V 7.34 3.72 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 0.89 0.00 0.00 1.02 0.00 0.00 76 A 8.24 4.13 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 77 L 7.44 3.62 0.00 0.73 1.12 0.83 0.73 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 78 P 0.00 4.11 0.00 2.14 2.01 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 79 L 7.96 3.87 0.00 1.72 1.76 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.84 3.70 1.81 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 1.55 0.62 0.86 0.00 0.00 81 K 7.89 4.07 0.00 2.01 2.04 0.00 1.27 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.41 7.81 82 D 8.35 4.31 0.00 2.88 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 83 L 7.51 4.10 0.00 1.97 1.98 0.90 0.45 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 84 V 7.55 3.72 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 0.95 0.00 0.00 1.03 0.00 0.00 85 A 7.44 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.81 4.25 0.00 4.09 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 87 S 7.30 4.23 0.00 4.01 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 88 K 8.67 4.25 0.00 1.79 1.85 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.37 7.81 89 D 8.22 4.34 0.00 2.64 2.68 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 90 V 9.01 3.49 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 1.09 0.00 0.00 0.93 0.00 0.00 91 K 9.12 4.26 0.00 1.81 2.20 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.20 0.95 7.81 92 S 7.42 4.56 0.00 3.92 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 93 T 7.44 4.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 94 Y 8.49 4.09 0.00 2.99 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 95 T 8.07 4.06 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 1.26 0.00 0.00 96 T 8.29 3.76 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 0.56 0.00 0.00 97 Y 8.19 4.91 0.00 3.05 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 98 R 7.93 3.91 0.00 1.98 2.29 0.00 2.96 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.36 0.00 99 H 7.86 4.41 0.00 3.18 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.80 3.90 1.99 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.65 1.12 0.00 0.00 101 L 7.85 4.02 0.00 1.65 1.53 0.52 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.03 4.12 0.00 2.10 2.21 0.00 2.75 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 103 W 8.09 4.21 0.00 3.40 3.58 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 0.00 104 I 8.16 3.64 2.12 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 1.83 0.79 1.02 0.00 0.00 105 D 8.13 4.70 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.06 3.98 0.00 3.27 3.10 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 0.00 107 M 8.24 3.70 0.00 0.97 0.80 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.50 0.00 108 Q 8.22 3.83 0.00 2.36 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 109 N 7.54 4.43 0.00 2.65 2.77 0.00 0.00 6.55 6.62 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 0.00 110 L 7.25 3.72 0.00 1.04 1.52 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.87 4.41 0.00 1.60 1.62 0.69 1.33 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 0.00 112 E 7.42 3.72 0.00 2.02 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 2.23 2.17 0.00 113 V 7.65 3.75 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 0.82 0.00 0.00 1.03 0.00 0.00 114 S 8.27 4.54 0.00 4.04 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.79 4.32 0.00 4.00 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 0.00 116 T 8.14 4.21 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 0.00 117 D 9.86 4.34 0.00 2.93 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 5.66 3.89 0.00 1.94 1.78 0.00 1.61 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.49 7.81 119 L 7.97 4.71 0.00 1.60 1.52 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.23 3.35 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 121 I 7.69 3.12 2.06 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 1.50 0.62 1.05 0.00 0.00 122 N 9.30 4.46 0.00 2.70 2.87 0.00 0.00 7.32 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 0.00 123 H 8.22 4.54 0.00 3.45 3.41 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.