NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 5.0439 8.3644 120.4856 54.4325 42.3362 174.1962 2 S 4.5327 9.2378 117.7563 56.0173 66.3782 167.3183 3 V 4.8554 9.1764 125.5873 61.4162 34.8331 174.2697 4 T 4.8229 8.9545 123.3238 61.9174 72.2116 173.0274 5 Q 5.6511 8.5242 123.0007 52.9838 32.5376 174.1603 6 T 3.9468 8.8581 115.5925 63.5613 68.5847 173.4910 7 E 3.8397 8.7618 126.9380 58.4243 30.8545 176.2480 8 G 4.0445 8.8291 113.7586 44.9833 0.0000 172.5099 9 Q 5.0819 8.3948 125.0394 54.2379 31.3339 174.6447 10 V 4.4171 9.0350 124.4399 61.2155 34.4639 173.7735 11 A 5.1751 8.6969 129.5775 50.5567 20.8708 175.3414 12 L 4.7982 8.8532 120.3153 53.6926 46.4643 175.1675 13 S 5.0913 8.3666 113.2609 56.6979 66.9990 174.1086 14 E 3.9877 8.5550 121.4020 58.3605 29.7578 178.5003 15 E 3.9287 9.6707 120.8488 56.6530 28.3747 174.3172 16 D 4.6348 7.5061 119.0224 54.1123 42.4265 174.8421 17 F 5.4474 8.5618 122.0923 56.5343 40.7888 174.4714 18 L 4.5024 8.2487 126.7570 53.6550 45.6722 175.5176 19 T 5.1439 7.6255 119.0754 63.1761 72.4006 172.9990 20 I 4.3975 7.9328 127.5795 59.5504 40.0903 175.0231 21 H 4.8643 9.1739 125.0845 56.0434 30.2903 173.9526 22 C 5.5046 9.1676 120.7596 55.4627 48.2435 172.1446 23 N 5.6583 9.5350 123.6307 51.7261 41.7089 173.5113 24 Y 5.2045 8.3712 122.1058 55.5908 41.3957 175.7330 25 S 4.3532 9.0271 113.6454 57.8975 65.3684 173.3468 26 A 5.1881 8.5319 125.3229 50.6307 22.1744 175.5170 27 S 4.4160 8.7015 115.7842 58.9790 64.3362 176.8882 28 G 3.7613 8.6436 110.3953 45.1898 0.0000 172.8104 29 Y 4.9698 8.4668 122.2327 55.3392 38.9911 174.3171 30 P 4.8581 0.0000 0.0000 61.7810 33.5595 175.0420 31 A 4.3267 8.8001 123.0704 50.8436 20.5823 176.4525 32 L 4.5672 7.6063 121.9668 53.0998 44.3028 175.6578 33 F 5.4833 8.5063 119.0969 56.1735 44.4766 173.3908 34 W 5.5573 8.7409 118.9406 55.4404 33.2340 174.3231 35 Y 5.0316 9.3834 120.5688 56.3050 41.8796 174.5615 36 V 4.2433 8.8551 121.2299 61.0302 34.9520 174.2821 37 Q 4.7135 8.2472 128.7105 54.2038 30.6160 174.1464 38 Y 4.4968 7.9601 123.4123 56.5340 39.6647 173.6968 39 P 4.3650 0.0000 0.0000 64.5527 31.7951 176.9643 40 G 3.9386 9.3845 110.1158 45.7424 0.0000 172.1279 41 E 4.7096 7.9426 117.4838 54.2949 33.7108 174.8813 42 G 4.0462 8.3103 107.5648 44.7320 0.0000 171.8895 43 P 4.9443 0.0000 0.0000 62.5455 32.1914 176.3140 44 Q 4.8169 9.5287 120.8457 53.9203 32.3189 174.2905 45 F 2.9459 8.8465 123.5357 58.9261 39.3896 173.3711 46 L 4.3915 6.8790 127.3158 55.2502 43.3790 175.8414 47 F 4.4122 5.9235 110.7897 56.4311 40.4160 171.7781 48 R 5.0292 9.0473 118.4240 54.9271 34.0104 174.2721 49 A 4.8106 8.5395 123.9330 50.9202 21.5651 177.3915 50 S 4.0086 9.0325 118.2866 60.2398 64.1462 174.6014 51 R 3.6350 7.5961 115.3785 52.6964 32.1836 173.9345 52 D 4.1893 8.6647 118.8518 56.1500 41.3219 177.5715 53 K 4.1631 9.1060 124.1393 56.4929 31.3960 176.1838 54 E 4.1953 8.0070 120.8190 56.0093 31.0142 175.5178 55 K 4.6433 8.5522 125.8833 54.6804 34.5997 175.7234 56 G 3.8697 8.4371 115.1643 45.8226 0.0000 171.9514 57 S 5.4022 7.1957 113.4154 57.9889 65.8547 173.9399 58 S 4.6880 9.1077 112.8095 59.5769 64.5994 176.8149 59 R 3.9930 10.1624 124.6384 57.3735 27.6135 177.1792 60 G 3.8045 8.5673 102.6103 45.6637 0.0000 173.8429 61 F 5.1192 8.2070 118.6153 55.9799 41.9157 174.6413 62 E 5.4377 9.0240 116.9782 56.2089 33.2518 173.9447 63 A 5.0296 7.7024 122.2030 49.5792 22.8253 174.6877 64 T 4.9341 8.3784 118.6653 61.7360 70.4234 173.8572 65 Y 4.2630 9.3079 129.0197 58.2330 40.1090 174.2412 66 N 5.2036 9.1826 126.6807 51.4840 39.5806 174.6173 67 K 4.4247 9.6280 128.3713 59.3338 32.9418 179.2929 68 E 3.8146 8.5358 117.2036 59.4263 29.5019 177.7747 69 A 4.1438 8.5527 118.7447 52.2824 19.6531 176.9457 70 T 3.4985 7.3668 106.3111 62.5822 68.0452 170.8742 71 S 5.2413 8.3395 115.3566 56.9316 67.5041 175.5223 72 F 5.6065 8.7641 121.5470 57.6465 38.4115 174.4616 73 H 4.7518 8.0896 118.3928 56.1275 30.3302 176.2650 74 L 4.1032 8.7810 126.3022 54.6197 43.3307 175.4997 75 Q 5.1953 8.6444 123.3639 53.7401 33.9280 173.8065 76 K 4.7337 8.0166 122.6738 54.7928 35.2320 176.5630 77 A 4.2030 9.0298 130.8984 54.8663 18.5462 176.4565 78 S 5.1047 7.7939 110.8828 55.0325 64.6277 174.4189 79 V 3.7507 8.9376 126.7304 62.0931 32.5363 175.0153 80 Q 4.7807 8.8857 122.4047 54.1792 32.4724 175.6282 81 E 3.9907 8.9571 123.2854 59.7116 29.6961 179.9440 82 S 4.2938 7.9841 111.3589 60.6030 63.2558 174.6454 83 D 4.8421 8.2595 120.2838 55.6299 40.8153 176.3285 84 S 5.0531 8.1534 116.1817 59.1853 63.4157 173.5419 85 A 4.2355 8.2939 125.1723 51.8169 22.6407 174.0210 86 V 4.5999 7.3578 118.1239 61.6280 33.8313 174.2276 87 Y 4.9432 8.6376 125.1423 56.4836 40.5340 174.4146 88 Y 5.2669 9.0957 121.6032 56.4327 41.6042 173.6811 89 C 4.4464 8.8440 121.6561 54.4737 45.4325 172.6343 90 A 5.2948 8.4331 126.7071 49.1199 22.7332 174.2708 91 L 4.9969 7.6581 119.1079 53.8112 46.1165 174.4942 92 S 5.1255 8.5559 119.6943 54.4548 65.8977 172.9493 93 G 4.6033 8.8480 123.1564 45.3906 0.0000 175.4873 *96 G 3.8052 8.6106 107.7168 45.4990 0.0000 171.4368 97 N 4.1231 8.6070 120.3875 53.5014 39.7473 175.9123 98 N 4.1832 9.2213 119.5597 54.2317 36.1869 176.2811 99 K 4.0881 8.9157 123.4435 57.1137 34.2772 175.3342 100 L 4.8265 8.4183 126.8318 53.2213 44.1692 175.6656 101 T 4.5523 8.6721 120.3957 61.8428 70.8133 173.3963 102 F 5.0178 8.7698 124.8789 55.7211 41.2784 176.1191 103 G 4.0558 8.8652 110.3476 45.5013 0.0000 173.4996 104 A 4.2870 8.7083 121.7442 53.2223 18.8015 178.9967 105 G 3.8323 8.9522 101.0394 45.7561 0.0000 172.8096 106 T 4.8273 8.1943 116.0168 61.2532 72.6215 173.1512 107 K 4.5596 9.1700 128.8276 55.9445 33.5177 175.1986 108 L 4.9995 9.3048 131.4978 54.1503 43.7571 175.2611 109 T 4.8491 8.8038 124.2041 62.0121 70.3990 174.1351 110 I 4.6639 8.0092 126.8340 60.5201 38.8901 175.7590 111 K 4.7986 8.1402 122.7143 53.9973 36.4026 175.2336 112 P 4.8842 0.0000 0.0000 62.3672 31.6092 175.8217 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 D 8.36 5.04 0.00 2.57 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 2 S 9.24 4.53 0.00 3.86 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 3 V 9.18 4.86 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 4 T 8.95 4.82 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 5 Q 8.52 5.65 0.00 2.37 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 6 T 8.86 3.95 4.32 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 1.25 0.00 0.00 7 E 8.76 3.84 0.00 1.95 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 2.32 2.36 0.00 8 G 8.83 4.04 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 0.00 0.00 0.00 9 Q 8.39 5.08 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.43 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 10 V 9.03 4.42 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 0.92 0.00 0.00 0.92 0.00 0.00 11 A 8.70 5.18 1.21 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 0.00 0.00 12 L 8.85 4.80 0.00 1.55 1.53 0.88 0.66 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 13 S 8.37 5.09 0.00 3.72 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.55 3.99 0.00 2.04 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 2.40 2.56 0.00 15 E 9.67 3.93 0.00 2.16 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 2.19 2.25 0.00 16 D 7.51 4.63 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.56 5.45 0.00 2.89 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 18 L 8.25 4.50 0.00 1.45 1.10 0.71 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.63 5.14 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 0.90 0.00 0.00 20 I 7.93 4.40 1.47 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 1.17 0.00 0.00 21 H 9.17 4.86 0.00 3.21 3.31 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 9.17 5.50 0.00 3.19 3.29 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 23 N 9.53 5.66 0.00 2.78 2.67 0.00 0.00 6.18 7.74 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 24 Y 8.37 5.20 0.00 2.93 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 25 S 9.03 4.35 0.00 3.85 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 26 A 8.53 5.19 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 27 S 8.70 4.42 0.00 3.90 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 28 G 8.64 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.47 4.97 0.00 2.80 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 30 P 0.00 4.86 0.00 1.93 2.01 0.00 4.08 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 31 A 8.80 4.33 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.61 4.57 0.00 0.27 0.13 -0.98 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.51 5.48 0.00 2.97 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 34 W 8.74 5.56 0.00 2.36 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 35 Y 9.38 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 36 V 8.86 4.24 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 -0.35 0.00 0.00 0.65 0.00 0.00 37 Q 8.25 4.71 0.00 2.23 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 38 Y 7.96 4.50 0.00 3.10 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 39 P 0.00 4.37 0.00 2.08 2.04 0.00 3.87 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 2.14 0.00 40 G 9.38 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 41 E 7.94 4.71 0.00 2.17 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 2.28 2.29 0.00 42 G 8.31 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.94 0.00 1.91 2.00 0.00 3.56 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 1.67 1.96 0.00 44 Q 9.53 4.82 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 45 F 8.85 2.95 0.00 2.71 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 6.88 4.39 0.00 1.32 1.13 0.86 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 47 F 5.92 4.41 0.00 3.06 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 9.05 5.03 0.00 2.10 2.08 0.00 3.52 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.00 49 A 8.54 4.81 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.03 4.01 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.60 3.64 0.00 1.88 1.79 0.00 2.91 0.00 0.00 3.03 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.61 0.00 52 D 8.66 4.19 0.00 2.62 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 53 K 9.11 4.16 0.00 1.97 2.02 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.41 7.81 54 E 8.01 4.20 0.00 2.19 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 2.33 2.26 0.00 55 K 8.55 4.64 0.00 1.76 1.63 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.36 7.81 56 G 8.44 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 0.00 0.00 0.00 57 S 7.20 5.40 0.00 3.79 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 58 S 9.11 4.69 0.00 4.09 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 59 R 10.16 3.99 0.00 2.39 2.22 0.00 3.53 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 60 G 8.57 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.21 5.12 0.00 3.33 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 62 E 9.02 5.44 0.00 1.86 1.87 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 2.25 2.04 0.00 63 A 7.70 5.03 0.56 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 64 T 8.38 4.93 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 1.32 0.00 0.00 65 Y 9.31 4.26 0.00 3.26 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.18 5.20 0.00 2.97 2.92 0.00 0.00 6.41 5.51 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 67 K 9.63 4.42 0.00 2.27 1.93 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.92 1.77 7.81 68 E 8.54 3.81 0.00 2.05 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 2.37 2.29 0.00 69 A 8.55 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 70 T 7.37 3.50 3.19 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 0.94 0.00 0.00 71 S 8.34 5.24 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.76 5.61 0.00 2.80 3.08 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 73 H 8.09 4.75 0.00 3.17 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.78 4.10 0.00 0.27 0.50 0.33 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.64 5.20 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 76 K 8.02 4.73 0.00 1.15 1.20 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.53 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 1.17 7.81 77 A 9.03 4.20 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 78 S 7.79 5.10 0.00 3.79 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.94 3.75 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 0.68 0.00 0.00 0.81 0.00 0.00 80 Q 8.89 4.78 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 81 E 8.96 3.99 0.00 2.02 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 0.00 2.35 2.43 0.00 82 S 7.98 4.29 0.00 3.97 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 83 D 8.26 4.84 0.00 3.00 3.08 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 84 S 8.15 5.05 0.00 3.79 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 85 A 8.29 4.24 0.80 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 0.00 0.00 0.00 0.00 0.00 86 V 7.36 4.60 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 0.45 0.00 0.00 0.84 0.00 0.00 87 Y 8.64 4.94 0.00 3.05 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 88 Y 9.10 5.27 0.00 3.19 3.12 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 0.00 89 C 8.84 4.45 0.00 1.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.43 5.29 0.36 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 91 L 7.66 5.00 0.00 1.51 1.31 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.56 5.13 0.00 3.94 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 93 G 8.85 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 G 8.61 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 0.00 0.00 0.00 97 N 8.61 4.12 0.00 2.89 2.86 0.00 0.00 7.31 8.00 0.00 0.00 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 N 9.22 4.18 0.00 2.86 2.71 0.00 0.00 6.81 7.61 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 99 K 8.92 4.09 0.00 1.82 1.66 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.45 7.81 100 L 8.42 4.83 0.00 1.32 1.07 0.59 0.15 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 0.00 101 T 8.67 4.55 4.14 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 1.19 0.00 0.00 102 F 8.77 5.02 0.00 2.71 2.79 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 0.00 103 G 8.87 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 0.00 104 A 8.71 4.29 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 0.00 105 G 8.95 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 0.00 0.00 0.00 106 T 8.19 4.83 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 1.35 0.00 0.00 107 K 9.17 4.56 0.00 1.79 1.71 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.53 7.81 108 L 9.30 5.00 0.00 2.02 1.76 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.80 4.85 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 1.23 0.00 0.00 110 I 8.01 4.66 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 1.29 1.04 0.93 0.00 0.00 111 K 8.14 4.80 0.00 2.09 1.64 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 112 P 0.00 4.88 0.00 2.17 2.18 0.00 3.41 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.