NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7268 8.2085 109.7395 45.3468 0.0000 172.9286 *23 A 4.3050 8.1451 123.9104 51.7884 19.7161 176.0922 24 S 4.5712 8.3185 113.9230 57.4411 63.4076 174.3221 25 I 3.9994 8.1472 125.1134 61.8370 38.2057 176.1203 26 V 3.5065 7.7363 120.8787 61.9818 31.6435 175.7465 27 G 3.5898 7.5894 115.0467 45.0467 0.0000 170.9398 28 S 4.4722 7.2083 114.2075 56.4327 63.9322 172.4791 29 W 5.1485 8.7503 128.6589 55.1584 30.8835 176.0813 30 V 5.4034 9.1428 117.4808 59.6855 35.9440 174.2120 31 E 5.1797 9.4220 120.6993 53.6747 33.2175 173.4286 32 P 4.8142 0.0000 0.0000 62.3737 32.5387 176.5388 33 V 3.8059 8.6118 123.9314 61.9357 32.5692 173.8245 34 P 4.3345 0.0000 0.0000 64.3484 31.4827 176.5741 35 G 3.9571 9.2647 110.5646 45.7540 0.0000 173.8266 36 L 4.5893 8.0405 124.3283 52.9167 42.2162 174.5450 37 E 4.1916 8.2364 117.4017 56.9566 30.3156 177.7165 38 G 4.1288 9.4483 111.8769 44.0689 0.0000 172.8300 39 Q 4.7956 8.0493 117.5888 54.0312 32.7577 174.8573 40 V 5.1614 8.3475 114.0627 59.9683 35.8236 174.6660 41 Q 4.7168 8.8609 119.4356 54.7355 32.2163 174.7533 42 G 4.4510 8.0514 107.6049 46.4536 0.0000 171.4097 43 I 4.9678 7.5931 121.8566 59.2691 41.9372 175.5831 44 K 4.6441 8.9910 130.0301 54.7806 35.5574 174.2856 *46 E 4.5295 8.4025 118.7848 55.7712 31.2761 175.8244 47 E 4.3499 8.8765 121.1028 58.4990 29.8777 177.7780 48 G 3.8856 8.8029 111.8107 44.4444 0.0000 174.1178 49 G 3.0442 7.8832 106.5663 44.6262 0.0000 173.9223 50 V 4.2827 7.6411 119.6472 62.9506 31.8361 174.8977 51 A 5.4020 8.9464 128.1124 50.6015 23.1489 174.7965 52 S 5.2191 8.8377 112.3254 57.1665 66.8320 173.7725 53 S 5.0466 8.8277 117.4422 58.4773 64.0755 173.8558 54 V 4.1079 8.9371 123.6175 61.8171 33.6064 173.2432 55 N 4.0834 9.0422 125.3662 54.1122 36.4547 172.6287 *57 A 4.3691 8.1952 125.5695 52.0961 21.0414 178.1156 58 T 4.1168 7.9062 110.0684 64.9798 68.1028 174.2166 59 L 4.9897 7.6464 119.4321 52.9268 44.2594 176.4294 60 V 4.2678 8.8094 123.2463 61.0296 32.9565 173.8885 61 Y 4.7327 9.2537 126.3301 58.2360 38.6099 176.6184 62 E 4.8328 9.9147 121.2406 55.7208 33.2174 175.6359 63 S 5.3501 7.8652 111.9217 57.1328 66.3091 173.4221 64 W 5.7689 8.7545 117.5439 55.0900 31.4992 174.3806 65 K 4.3553 9.1272 121.4126 55.1845 35.6111 174.1293 66 Q 5.1031 8.8684 127.8533 54.6412 31.2576 175.1238 67 E 4.5630 9.3384 126.1871 54.7894 31.3628 177.1849 68 G 3.9177 8.0890 117.3194 47.0275 0.0000 172.6319 69 T 4.3092 8.5555 115.9684 61.3707 69.2669 173.5339 70 K 4.7596 7.9271 122.8822 55.1478 34.4494 175.1195 71 L 5.1251 8.4622 125.5560 53.4662 44.9027 174.7523 72 I 4.7624 9.0938 128.3196 59.9114 39.1418 174.6183 73 L 5.3825 9.3113 127.9020 53.3317 44.4151 175.9378 74 T 4.5733 9.1757 118.9555 61.4634 72.7211 174.5536 75 G 3.5681 6.1948 109.1883 46.0005 0.0000 171.1666 76 K 5.1532 8.0331 119.3686 54.6964 35.4506 175.3082 77 S 5.1106 9.7228 119.8533 56.6231 64.7197 172.5143 78 I 4.8482 8.5231 128.4734 59.1632 39.0437 175.7280 79 G 4.0722 9.2032 115.8733 46.7288 0.0000 172.6167 80 N 4.2225 10.0295 118.9924 54.1057 36.2194 175.4917 81 G 3.9617 8.5869 103.9190 45.4488 0.0000 173.7099 82 Q 4.6966 7.9494 118.3014 54.2241 31.5951 174.8828 83 T 5.1867 8.2564 115.8665 62.1220 71.6473 173.3230 84 I 4.7762 8.7799 119.8667 58.5532 41.5036 174.4951 85 E 4.7078 8.8576 124.8774 56.4036 30.4780 175.7107 86 F 5.1764 8.9924 120.5572 55.1160 42.0755 173.7475 87 V 4.8290 8.5561 118.8156 61.4808 34.1496 174.1004 88 D 5.2804 9.8478 127.8264 52.9349 44.0230 175.3862 89 T 5.4268 8.3355 117.4566 60.8619 72.4796 173.0276 *91 D 4.5407 8.3601 121.3646 54.4432 42.7482 174.9307 92 I 4.2287 8.8717 124.6520 60.7261 36.9935 175.8215 93 K 4.2810 8.9633 128.2278 58.3786 33.1863 177.6840 94 R 4.6245 7.5630 118.1762 54.9937 33.8004 174.1124 95 L 4.9281 8.3375 127.5476 54.4348 43.4828 174.3630 96 T 4.7648 9.1467 117.2896 59.4830 71.8764 174.2097 97 A 4.2774 8.8220 123.2161 55.1799 18.5343 177.8971 98 D 5.0314 8.0151 109.5584 52.8284 41.6970 175.4017 99 S 5.3522 8.7712 113.9210 56.9264 66.4173 172.5190 100 L 4.7422 8.9048 127.4673 53.3019 45.0018 174.8412 101 V 4.7465 8.8449 127.0435 61.0668 34.0334 174.3369 102 L 5.2623 8.8085 127.2452 52.8904 45.4998 174.6861 103 D 5.0305 8.8451 121.1936 52.5486 43.3792 175.1838 104 N 4.7394 8.6784 124.1817 52.3136 39.5671 173.3839 105 Q 3.3137 9.7318 127.3047 56.7045 26.9779 174.6025 106 G 3.5867 8.2105 101.6282 45.6676 0.0000 173.0487 *108 E 4.2297 7.5028 118.0786 56.2959 31.4281 175.2610 109 I 4.2544 8.8277 127.4517 59.5459 39.8245 174.6264 110 R 4.6181 8.3636 126.5582 54.8213 31.5403 175.1863 111 Y 5.2649 8.9491 122.3219 56.2319 41.0456 174.8625 112 A 5.4990 9.1184 124.4307 50.0371 22.2506 175.6879 113 K 3.7858 8.4187 122.6007 55.8069 32.9207 176.7480 114 Q 4.1247 8.8948 130.0560 55.8800 29.4259 177.1897 115 K 4.0868 8.5005 124.0538 54.8613 31.7897 174.0645 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 0 G 8.21 3.73 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 0.00 0.00 0.00 *23 A 8.15 4.31 1.33 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 0.00 0.00 24 S 8.32 4.57 0.00 3.89 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 25 I 8.15 4.00 1.72 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.55 0.24 0.00 0.00 26 V 7.74 3.51 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 0.80 0.00 0.00 1.16 0.00 0.00 27 G 7.59 3.59 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 0.00 0.00 0.00 28 S 7.21 4.47 0.00 3.73 3.53 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 29 W 8.75 5.15 0.00 2.85 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 30 V 9.14 5.40 2.17 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 0.80 0.00 0.00 0.98 0.00 0.00 31 E 9.42 5.18 0.00 1.93 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 0.00 2.49 2.32 0.00 32 P 0.00 4.81 0.00 1.97 2.04 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 V 8.61 3.81 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 0.95 0.00 0.00 1.03 0.00 0.00 34 P 0.00 4.33 0.00 2.08 2.00 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 35 G 9.26 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 36 L 8.04 4.59 0.00 1.60 1.49 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.24 4.19 0.00 2.03 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 2.23 1.88 0.00 38 G 9.45 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 39 Q 8.05 4.80 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 40 V 8.35 5.16 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 0.77 0.00 0.00 0.96 0.00 0.00 41 Q 8.86 4.72 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 42 G 8.05 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 0.00 0.00 0.00 0.00 43 I 7.59 4.97 1.41 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.65 0.47 0.00 0.00 44 K 8.99 4.64 0.00 1.77 1.67 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.32 7.81 *46 E 8.40 4.53 0.00 2.24 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 2.34 2.43 0.00 47 E 8.88 4.35 0.00 2.03 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 2.40 2.32 0.00 48 G 8.80 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 0.00 0.00 0.00 0.00 49 G 7.88 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 0.00 0.00 0.00 50 V 7.64 4.28 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 0.85 0.00 0.00 0.95 0.00 0.00 51 A 8.95 5.40 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 52 S 8.84 5.22 0.00 3.93 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 53 S 8.83 5.05 0.00 3.88 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 54 V 8.94 4.11 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 1.04 0.00 0.00 0.94 0.00 0.00 55 N 9.04 4.08 0.00 2.85 2.93 0.00 0.00 7.16 7.96 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 *57 A 8.20 4.37 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 58 T 7.91 4.12 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 1.10 0.00 0.00 59 L 7.65 4.99 0.00 1.06 1.02 0.30 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.81 4.27 2.13 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 1.02 0.00 0.00 0.95 0.00 0.00 61 Y 9.25 4.73 0.00 2.99 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 62 E 9.91 4.83 0.00 1.82 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 2.25 2.27 0.00 63 S 7.87 5.35 0.00 3.89 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 0.00 64 W 8.75 5.77 0.00 3.37 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 65 K 9.13 4.36 0.00 1.70 1.61 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.24 7.81 66 Q 8.87 5.10 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 67 E 9.34 4.56 0.00 1.98 1.84 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 2.21 2.23 0.00 68 G 8.09 3.92 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 0.00 0.00 0.00 69 T 8.56 4.31 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 1.21 0.00 0.00 70 K 7.93 4.76 0.00 1.84 1.77 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.53 7.81 71 L 8.46 5.13 0.00 1.73 1.50 1.07 0.88 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 72 I 9.09 4.76 1.92 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 1.26 0.43 0.95 0.00 0.00 73 L 9.31 5.38 0.00 1.86 1.86 0.81 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 T 9.18 4.57 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 1.08 0.00 0.00 75 G 6.19 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 76 K 8.03 5.15 0.00 1.78 1.74 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 77 S 9.72 5.11 0.00 3.75 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 78 I 8.52 4.85 2.11 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 1.17 0.77 0.91 0.00 0.00 79 G 9.20 4.07 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 0.00 80 N 10.03 4.22 0.00 2.83 2.87 0.00 0.00 7.12 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 81 G 8.59 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 82 Q 7.95 4.70 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 83 T 8.26 5.19 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 1.23 0.00 0.00 84 I 8.78 4.78 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.03 0.93 0.00 0.00 85 E 8.86 4.71 0.00 1.98 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 2.25 2.29 0.00 86 F 8.99 5.18 0.00 3.12 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 87 V 8.56 4.83 2.13 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 0.88 0.00 0.00 0.90 0.00 0.00 88 D 9.85 5.28 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 89 T 8.34 5.43 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 *91 D 8.36 4.54 0.00 2.61 2.62 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 92 I 8.87 4.23 1.90 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 1.13 0.54 0.81 0.00 0.00 93 K 8.96 4.28 0.00 1.66 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.49 7.81 94 R 7.56 4.62 0.00 1.81 1.65 0.00 3.15 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 L 8.34 4.93 0.00 1.49 1.44 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 96 T 9.15 4.76 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 1.23 0.00 0.00 97 A 8.82 4.28 1.33 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 0.00 0.00 98 D 8.02 5.03 0.00 2.76 2.83 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 99 S 8.77 5.35 0.00 3.98 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 0.00 100 L 8.90 4.74 0.00 0.27 0.50 0.51 -0.42 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 0.00 101 V 8.84 4.75 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 0.99 0.00 0.00 0.89 0.00 0.00 102 L 8.81 5.26 0.00 1.54 1.49 1.04 0.86 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 0.00 103 D 8.85 5.03 0.00 2.60 2.50 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 0.00 104 N 8.68 4.74 0.00 2.68 2.69 0.00 0.00 7.30 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 0.00 105 Q 9.73 3.31 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 106 G 8.21 3.59 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 0.00 0.00 0.00 *108 E 7.50 4.23 0.00 1.98 1.86 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 2.11 2.29 0.00 109 I 8.83 4.25 1.59 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 0.13 0.00 0.00 110 R 8.36 4.62 0.00 1.60 1.83 0.00 3.13 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 111 Y 8.95 5.26 0.00 3.03 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 0.00 112 A 9.12 5.50 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 0.00 113 K 8.42 3.79 0.00 0.93 1.40 0.00 1.51 0.00 0.00 1.35 0.00 0.00 2.34 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.92 0.21 7.81 114 Q 8.89 4.12 0.00 1.84 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 115 K 8.50 4.09 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.