NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.9284 8.2833 119.2275 53.6843 40.1664 174.2830 4 Q 3.8525 8.6347 114.6921 57.8054 28.3587 175.2606 5 E 3.9045 8.1960 120.5312 59.3247 30.0285 178.4013 6 L 3.9781 7.7964 119.8675 57.7823 42.3076 178.2906 7 L 3.8040 7.6208 119.8358 58.4553 41.9762 179.1710 8 Q 4.1246 8.4441 117.9959 58.5394 28.4618 178.4804 9 L 3.9337 7.5760 121.6229 57.9709 42.1193 178.8489 10 A 4.0239 8.3010 121.2483 54.9182 18.3867 179.7381 11 V 3.5310 8.2063 117.2600 66.1032 31.5213 178.0782 12 N 4.2276 8.2013 115.9236 56.2361 38.1355 176.8354 13 A 3.9681 7.6710 121.8250 55.6870 18.5451 179.9839 14 V 3.3735 7.9459 116.0507 66.0926 31.5577 177.8475 15 D 4.4414 8.0426 118.7526 57.0162 40.5061 178.3530 16 D 4.4518 8.4381 119.2469 56.5468 40.8211 177.8063 17 K 4.3638 7.3267 116.2378 55.4050 32.3431 176.6230 18 K 3.8578 7.8597 117.1994 57.0986 29.7009 176.1498 19 A 4.1402 7.7849 121.6900 52.4928 18.9639 178.1530 20 E 4.4228 8.6248 122.1812 55.7951 31.5880 175.8549 21 Q 3.7483 8.5170 117.2668 57.0621 26.2434 174.9513 22 V 4.0404 7.6230 116.5471 63.1393 32.6797 175.9147 23 V 4.5631 9.2166 127.4573 61.1870 35.0077 173.7414 24 A 5.2645 8.6810 128.6390 50.3636 22.0585 175.2788 25 L 5.0445 8.6438 120.0581 52.8951 45.0523 176.5342 26 N 4.7597 8.9927 123.7581 52.6339 40.5447 174.0209 *28 K 3.7153 8.4048 120.9034 57.6715 32.5183 175.3999 29 G 3.9683 9.2227 114.0821 45.6050 0.0000 172.6514 30 I 4.2685 7.5348 117.6914 62.1517 39.4544 174.8914 31 S 4.8076 7.6535 110.5157 56.3692 65.7154 173.3671 32 L 4.6313 7.8999 118.2336 53.0992 40.8529 175.5950 *35 D 4.2582 7.1567 118.1422 52.9250 42.8837 176.5161 36 F 5.1661 8.2734 113.5939 56.0939 43.8093 173.4982 37 F 5.5984 9.1474 122.5185 55.7495 41.4478 174.4064 38 L 5.3791 9.1400 125.4432 53.3518 44.9171 175.0894 39 I 5.4185 8.5689 126.6388 60.0619 41.1556 174.2048 40 C 5.1498 8.6076 118.5415 58.6102 33.5378 171.7147 41 H 5.2580 8.4414 113.2276 54.5931 31.9771 172.5536 42 G 4.4723 9.2647 106.2267 44.7058 0.0000 173.7263 43 N 4.8336 10.0972 118.0546 53.4100 39.2723 175.8847 44 S 4.6424 7.1911 112.5349 56.1621 67.1306 174.9567 45 E 3.9925 8.7807 121.9419 59.1737 29.2663 179.5389 46 K 3.9539 7.9353 119.7138 59.3088 32.3551 178.5081 47 Q 3.9813 7.7731 120.0281 58.9063 28.9698 178.1667 48 V 3.5707 7.9755 119.5931 66.1309 31.5091 178.1189 49 Q 3.8026 7.9408 117.0546 58.4643 28.4580 178.4164 50 A 4.0388 7.8245 121.8775 55.0924 18.4153 179.7727 51 I 3.6453 7.8305 118.0522 64.6200 37.2667 178.4415 52 A 4.0799 8.0761 121.5779 55.6022 18.0753 179.2221 53 H 4.1259 8.7449 116.8787 59.3404 29.9143 177.1355 54 E 3.5948 8.4324 121.2146 59.0587 29.3259 178.6436 55 L 3.9391 7.9540 120.6348 57.7532 42.1908 178.8497 56 K 3.8316 7.8916 119.6429 59.2771 31.7229 178.5725 57 K 3.7714 8.6107 120.9527 59.7219 32.2294 178.9188 58 V 3.8123 8.1435 118.4829 65.8826 31.3986 177.8462 59 A 4.0282 8.1734 120.8387 54.9259 17.9953 179.1371 60 Q 4.2843 7.8280 114.8002 57.6354 28.8200 178.0574 61 E 4.1373 7.6052 119.2793 59.2588 29.6279 178.2936 62 Q 3.9610 7.8378 116.3218 56.1458 29.4716 175.4273 63 G 3.7967 7.4438 106.5311 47.5791 0.0000 173.5850 64 I 4.3872 8.1213 119.4431 58.9909 39.3147 175.2962 65 E 4.2888 8.5046 124.9158 54.8757 30.2963 175.5526 66 I 4.2119 8.1747 127.6969 60.6393 37.3877 175.8057 67 K 4.2578 8.9654 127.0088 59.0594 32.5908 177.9365 68 R 4.6873 7.6457 116.3672 54.8675 35.1496 174.8372 69 L 5.2928 7.9683 121.9644 55.7263 43.9317 173.8356 70 E 4.5189 8.3651 125.6647 55.2338 34.1699 176.7057 71 G 3.8969 8.8270 109.9847 46.3627 0.0000 175.0146 72 Y 3.8845 8.1363 121.4068 60.5495 39.1206 176.9341 73 E 4.1242 8.5276 117.4777 59.6305 29.6443 178.4301 74 Q 3.9105 8.1443 117.3342 57.0892 29.3418 175.5724 75 A 3.7256 7.4886 119.0793 53.4833 16.9707 177.7265 76 R 4.5000 7.8907 119.3336 58.5586 33.3571 176.2149 77 W 4.8623 7.9508 128.0889 56.6503 32.0608 172.8513 78 V 4.4085 8.8347 126.8097 61.1709 33.0348 173.8493 79 L 4.9132 8.7895 130.2975 53.3040 44.6164 174.8704 80 I 4.8028 8.4805 127.3350 59.5253 39.7549 174.5151 81 D 4.7720 9.2711 129.4045 53.3744 41.6242 176.3344 82 L 4.5664 8.7432 125.6897 54.3365 43.5243 176.6100 83 G 4.0739 8.9767 111.5564 44.2532 0.0000 176.2938 84 D 4.2584 9.5169 128.5331 56.2537 42.6811 176.4848 85 V 4.8324 7.6707 118.3279 60.8866 35.0505 174.4518 86 V 4.7837 8.5969 126.3249 61.1603 34.3307 174.0755 87 V 4.7365 8.5234 128.1230 61.7591 33.7873 174.1788 88 H 5.2062 9.7637 124.9508 54.3022 31.5022 173.3422 89 V 4.4597 8.7423 125.7290 61.5084 32.6363 175.0325 90 F 4.9905 8.9559 127.4811 56.4041 41.5473 174.4179 91 H 5.0866 8.6527 120.7582 54.5732 30.6415 176.2254 92 K 3.2382 8.9343 125.6625 59.7678 32.2158 177.0553 93 D 4.8783 8.3500 116.6210 53.8734 41.1201 175.7585 94 E 4.3050 9.1170 123.6557 55.9456 30.5031 177.8097 95 R 4.1087 8.9667 125.2925 59.3805 30.3300 178.6315 96 A 4.2215 8.1066 118.8208 54.6158 18.0168 178.3754 97 Y 3.0347 7.3480 116.5567 59.0525 38.8584 175.9022 98 Y 4.1336 7.8673 115.4770 57.6634 39.1569 175.5831 99 N 4.8021 7.1184 115.6763 52.8026 39.3194 175.6568 100 L 3.9268 7.3978 118.7224 56.1578 42.2693 177.4733 101 E 4.0377 7.8223 118.4383 60.0526 29.8239 177.6209 102 K 3.8850 8.1094 116.3379 59.4530 32.1472 177.2931 103 L 3.4509 7.4387 116.9073 55.5483 42.1522 178.4313 104 W 3.4024 7.9793 124.1037 56.8421 27.9101 172.6534 *108 P 4.4045 0.0000 0.0000 63.7447 32.0444 177.0398 109 T 4.6185 8.0063 110.7086 62.5576 69.5572 174.8716 110 V 3.8993 8.4424 127.4105 62.5564 32.2988 175.3251 111 E 4.3951 8.6630 127.0559 55.6776 30.6885 176.2630 112 L 4.3043 8.0799 122.3752 55.1137 42.8295 176.3673 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 N 8.28 4.93 0.00 2.88 3.18 0.00 0.00 7.08 5.80 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 4 Q 8.63 3.85 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 5 E 8.20 3.90 0.00 2.06 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 2.42 0.00 6 L 7.80 3.98 0.00 1.74 1.68 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.62 3.80 0.00 1.41 1.46 0.66 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.44 4.12 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 9 L 7.58 3.93 0.00 1.96 1.83 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.30 4.02 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.53 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 1.00 0.00 0.00 0.90 0.00 0.00 12 N 8.20 4.23 0.00 2.81 2.83 0.00 0.00 6.88 8.04 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 13 A 7.67 3.97 1.36 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 14 V 7.95 3.37 2.25 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 1.03 0.00 0.00 0.94 0.00 0.00 15 D 8.04 4.44 0.00 3.13 2.69 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 16 D 8.44 4.45 0.00 2.77 2.74 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 17 K 7.33 4.36 0.00 1.75 1.84 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.75 7.81 18 K 7.86 3.86 0.00 1.96 1.96 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.52 7.81 19 A 7.78 4.14 1.34 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 0.00 0.00 0.00 20 E 8.62 4.42 0.00 1.81 1.79 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 2.26 2.42 0.00 21 Q 8.52 3.75 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 22 V 7.62 4.04 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 0.74 0.00 0.00 0.93 0.00 0.00 23 V 9.22 4.56 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 1.03 0.00 0.00 0.96 0.00 0.00 24 A 8.68 5.26 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 25 L 8.64 5.04 0.00 1.45 1.38 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.99 4.76 0.00 2.72 2.67 0.00 0.00 7.17 6.23 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 *28 K 8.40 3.72 0.00 1.61 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.43 7.81 29 G 9.22 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 0.00 0.00 0.00 30 I 7.53 4.27 1.69 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 1.33 0.86 0.91 0.00 0.00 31 S 7.65 4.81 0.00 3.60 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 32 L 7.90 4.63 0.00 1.63 1.55 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *35 D 7.16 4.26 0.00 2.77 2.43 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 36 F 8.27 5.17 0.00 2.93 2.81 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 37 F 9.15 5.60 0.00 2.61 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 38 L 9.14 5.38 0.00 1.77 1.54 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.57 5.42 2.03 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 1.19 0.00 0.00 40 C 8.61 5.15 0.00 3.01 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 41 H 8.44 5.26 0.00 2.90 2.60 0.00 5.40 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 42 G 9.26 4.47 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 0.00 43 N 10.10 4.83 0.00 2.69 2.86 0.00 0.00 6.76 7.45 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 44 S 7.19 4.64 0.00 4.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.78 3.99 0.00 2.03 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 2.64 2.43 0.00 46 K 7.94 3.95 0.00 1.80 1.78 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 Q 7.77 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 48 V 7.98 3.57 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 1.02 0.00 0.00 0.96 0.00 0.00 49 Q 7.94 3.80 0.00 1.98 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.23 2.07 0.00 50 A 7.82 4.04 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 51 I 7.83 3.65 2.05 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 1.46 0.93 0.93 0.00 0.00 52 A 8.08 4.08 1.58 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 0.00 0.00 53 H 8.74 4.13 0.00 3.57 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.43 3.59 0.00 2.26 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 0.00 2.44 2.38 0.00 55 L 7.95 3.94 0.00 2.04 1.64 0.93 0.65 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 56 K 7.89 3.83 0.00 1.78 1.80 0.00 1.49 0.00 0.00 1.35 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.34 7.81 57 K 8.61 3.77 0.00 1.78 1.92 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 58 V 8.14 3.81 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 0.94 0.00 0.00 1.02 0.00 0.00 59 A 8.17 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 4.28 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 61 E 7.61 4.14 0.00 2.17 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 2.31 2.54 0.00 62 Q 7.84 3.96 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 63 G 7.44 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 64 I 8.12 4.39 1.86 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 1.18 0.67 0.91 0.00 0.00 65 E 8.50 4.29 0.00 1.91 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 2.23 2.30 0.00 66 I 8.17 4.21 1.83 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 1.38 0.63 0.94 0.00 0.00 67 K 8.97 4.26 0.00 1.60 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 68 R 7.65 4.69 0.00 1.65 1.69 0.00 3.29 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 69 L 7.97 5.29 0.00 1.55 1.47 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.37 4.52 0.00 1.73 1.64 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 2.21 2.19 0.00 71 G 8.83 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 72 Y 8.14 3.88 0.00 2.91 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 73 E 8.53 4.12 0.00 2.04 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 2.38 2.41 0.00 74 Q 8.14 3.91 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 75 A 7.49 3.73 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 76 R 7.89 4.50 0.00 1.82 2.25 0.00 3.29 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 77 W 7.95 4.86 0.00 3.20 2.86 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 0.00 0.00 0.00 78 V 8.83 4.41 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 1.05 0.00 0.00 0.94 0.00 0.00 79 L 8.79 4.91 0.00 1.41 1.27 0.76 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.48 4.80 1.85 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 1.12 0.78 0.89 0.00 0.00 81 D 9.27 4.77 0.00 2.63 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 82 L 8.74 4.57 0.00 1.88 1.67 0.92 0.86 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 83 G 8.98 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 84 D 9.52 4.26 0.00 2.68 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 85 V 7.67 4.83 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 1.01 0.00 0.00 1.10 0.00 0.00 86 V 8.60 4.78 1.78 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 0.75 0.00 0.00 0.97 0.00 0.00 87 V 8.52 4.74 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 0.98 0.00 0.00 0.95 0.00 0.00 88 H 9.76 5.21 0.00 3.49 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.74 4.46 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 0.96 0.00 0.00 0.95 0.00 0.00 90 F 8.96 4.99 0.00 2.09 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 91 H 8.65 5.09 0.00 3.44 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.93 3.24 0.00 1.74 2.05 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 93 D 8.35 4.88 0.00 2.77 2.80 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 94 E 9.12 4.30 0.00 2.34 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 0.00 2.73 2.55 0.00 95 R 8.97 4.11 0.00 2.00 2.02 0.00 3.20 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 96 A 8.11 4.22 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 97 Y 7.35 3.03 0.00 1.97 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 98 Y 7.87 4.13 0.00 2.89 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 N 7.12 4.80 0.00 2.73 2.71 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 0.00 100 L 7.40 3.93 0.00 1.35 1.52 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.82 4.04 0.00 1.92 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 2.30 2.39 0.00 102 K 8.11 3.89 0.00 1.73 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.43 7.81 103 L 7.44 3.45 0.00 0.54 0.13 0.62 0.67 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 0.00 104 W 7.98 3.40 0.00 3.68 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 *108 P 0.00 4.40 0.00 2.25 2.28 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 109 T 8.01 4.62 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 V 8.44 3.90 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 0.71 0.00 0.00 1.20 0.00 0.00 111 E 8.66 4.40 0.00 1.95 1.82 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 2.27 2.38 0.00 112 L 8.08 4.30 0.00 1.59 1.44 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.