NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1417 8.2644 123.5872 51.8850 20.9869 177.0551 *2 N 4.6233 7.8102 114.0729 52.9569 40.5169 173.9312 3 L 3.5448 8.6631 129.7074 58.1162 42.2793 179.0902 4 K 3.8628 7.9109 118.9284 59.6297 32.1788 178.4004 5 Q 3.9787 9.2612 120.0663 58.9529 29.0470 177.7919 6 A 4.0272 8.2420 121.9742 55.2007 18.4411 179.6517 7 L 4.0772 7.9254 118.7132 57.4605 41.4892 179.5710 8 I 3.6953 7.5284 118.4136 64.7899 37.2148 177.9990 9 D 4.5034 8.7532 118.8238 56.7858 40.7439 177.7600 10 N 4.6907 7.9226 113.9465 51.6909 40.1288 173.9896 11 N 4.2625 8.2198 118.0914 55.2469 37.5074 173.7368 12 S 4.9309 7.7908 106.7884 58.3201 63.8923 174.1094 13 I 5.1059 7.8836 120.2178 60.8092 39.6359 176.1570 14 R 4.7376 9.0162 125.1704 54.3896 34.1851 174.1839 15 L 4.8578 8.6065 122.6457 53.4313 44.7813 176.3684 16 G 3.7693 8.8177 109.4794 46.7104 0.0000 173.8017 17 L 4.4910 7.6449 119.5382 53.3816 42.9778 176.0603 18 S 4.9763 8.1943 112.8462 56.7067 65.8665 173.3358 19 A 4.7005 8.2262 123.8181 50.9553 22.0160 175.8157 20 D 4.6162 9.3873 121.7278 55.7287 41.6052 177.5570 21 T 4.7352 7.3063 107.9813 58.6234 73.1787 174.7426 22 W 3.8983 8.3099 119.1255 59.5336 27.9679 178.1631 23 Q 3.2126 6.3946 118.3188 58.7343 27.9950 178.6333 24 E 3.8468 7.5772 118.9408 59.6756 29.4051 179.5340 25 A 4.0461 7.6693 120.1898 54.7465 18.4710 179.9112 26 V 3.6605 8.1907 117.1124 66.2148 31.7496 177.8415 27 R 3.5205 8.3467 118.9028 59.7109 29.5313 178.2389 28 L 3.9673 7.9531 116.8872 57.8407 41.6819 179.1989 29 A 4.1768 8.2393 120.0532 54.8618 18.5602 179.3157 30 V 3.9048 7.8814 116.7056 65.2684 31.6756 177.7029 31 Q 3.8952 8.0326 119.7321 59.0774 28.7109 177.0778 32 P 4.2348 0.0000 0.0000 66.0556 31.3730 178.4722 33 L 4.3244 7.9742 118.3403 56.7170 41.3838 179.7658 34 I 4.0290 7.5303 121.1357 63.9541 37.0129 177.4328 35 D 4.4227 8.0290 118.8146 57.6622 40.7840 178.7766 36 S 4.1999 8.4778 112.0939 58.7808 63.3067 175.5967 37 K 4.0182 8.3789 119.6358 56.8291 30.2163 176.6197 38 A 4.2023 7.6839 121.8013 54.3971 19.4109 177.6639 39 V 4.8458 8.0572 107.7854 60.6051 37.0866 173.9668 40 T 4.8005 8.7014 117.9908 61.5286 71.4138 176.1123 41 S 4.2295 9.0075 118.4043 61.6866 62.6414 176.3562 42 A 4.0319 8.3238 123.9759 55.6538 17.8673 178.7360 43 Y 4.5351 8.3081 119.0149 60.5355 38.8074 177.5744 44 Y 4.0554 8.2039 119.9278 60.8967 38.8886 177.8138 45 D 3.9273 8.1303 119.3557 57.1481 40.9293 178.5376 46 A 3.9782 8.4564 121.5316 55.1546 18.3741 179.6953 47 I 3.5458 7.5235 118.1587 64.5706 37.2121 178.4958 48 I 3.8706 7.6931 120.6128 64.6965 37.0617 178.4371 49 A 4.0939 8.1157 121.2802 55.2027 18.1132 179.9128 50 S 4.3728 8.4604 113.9344 61.9379 62.8346 177.0452 51 T 4.2963 8.2687 119.9367 66.3175 68.0270 176.6374 52 E 4.0629 8.2976 119.2215 59.3507 29.5613 179.0862 53 K 3.9606 7.9359 118.5032 58.6540 32.3504 177.4845 54 Y 4.7202 8.1937 113.5986 56.2217 39.6897 176.5461 55 G 3.9172 8.4579 108.0681 44.3944 0.0000 172.0052 56 P 4.0348 0.0000 0.0000 61.0548 29.6971 176.5636 57 Y 3.9911 7.2236 120.7146 60.0599 38.6710 177.3211 58 Y 4.3083 5.6310 117.7183 56.5099 38.2148 175.2567 59 V 3.9186 6.4998 121.7219 61.9030 30.0099 175.7551 60 L 3.9573 7.8748 126.2539 55.8383 42.0469 175.8624 *62 P 4.0012 0.0000 0.0000 63.6815 32.4395 176.5483 63 G 3.8292 8.9309 110.3411 45.5228 0.0000 172.9690 *65 A 4.2592 7.3664 119.8919 51.0840 20.9949 173.4530 *67 P 2.9700 0.0000 0.0000 62.5381 32.8893 175.8154 68 H 4.9664 7.6862 118.4273 54.2392 32.0552 172.4268 69 A 4.6910 8.2730 121.6397 50.3614 20.5772 177.3186 70 E 4.1066 8.2932 118.2979 59.0151 29.6568 178.0401 71 A 4.8155 7.6419 118.4438 50.2571 22.6319 175.7568 72 G 4.0820 8.7140 107.8581 44.5882 0.0000 173.9276 73 L 4.2071 8.0057 119.8762 56.0261 41.9472 177.7931 74 G 3.9614 8.8886 109.3855 45.8612 0.0000 172.5670 75 V 4.1050 7.3901 120.2652 61.2463 31.9118 176.2339 76 N 4.9061 9.6402 128.6143 50.5875 37.2285 173.3967 77 R 4.1544 7.8490 116.1572 55.6369 32.1514 173.2888 78 N 5.0440 8.5681 123.7245 53.2402 39.4660 174.0616 79 A 4.3647 7.3200 120.5426 51.7492 22.2209 175.1628 80 F 5.5702 9.0605 117.0641 55.7518 42.8876 174.3150 81 A 5.1057 8.9997 121.5524 50.4860 23.3617 175.0225 82 L 5.1775 9.2625 121.2127 53.9217 45.7586 174.8342 83 I 5.8987 9.0947 119.2195 58.4473 41.7061 174.3042 84 T 5.1480 8.4767 118.6197 61.8983 72.2112 172.8950 85 L 5.2547 8.6888 123.9951 53.3305 44.2718 177.1082 86 T 4.1657 8.6357 118.4629 65.6753 68.9518 175.3848 87 K 4.6899 7.8155 118.3897 53.4593 35.4643 173.9912 88 P 4.9141 0.0000 0.0000 62.7823 32.3069 175.9186 89 V 4.6245 9.0043 120.7052 60.3483 34.8768 174.4329 90 T 5.0985 8.4416 118.8781 62.0187 70.2674 174.7330 91 F 3.9355 9.7282 126.1590 56.5676 39.7880 176.4275 92 S 4.3675 8.0802 115.3163 59.6729 63.0280 174.3280 93 D 4.7182 8.0441 119.8638 53.1177 39.2848 177.3970 94 G 3.9778 8.4299 108.7157 45.5514 0.0000 174.4984 95 K 4.1669 8.2313 120.7599 56.5484 33.0992 176.0014 96 E 5.1588 8.8087 124.1769 55.3284 31.9399 175.2860 97 V 4.6821 8.9723 122.5542 61.7629 34.9203 175.3757 98 S 4.8057 9.5603 121.9946 58.0090 65.9483 173.8239 99 V 4.9820 7.9162 118.6713 60.9372 34.3873 174.5098 100 L 4.9867 9.1237 127.1054 53.0367 44.9821 175.2390 101 L 5.5993 8.8078 127.4627 52.7624 43.0509 175.5166 102 T 4.3418 8.4695 123.6808 63.2760 69.8468 173.3193 103 L 4.4450 8.3863 129.3815 53.6760 43.2617 175.5425 104 A 4.4208 8.4072 129.5242 50.3002 20.4355 175.2073 105 A 5.0650 8.1893 123.6630 50.6388 21.4252 176.1051 106 T 3.8753 9.7725 113.1567 64.0989 69.2868 173.2634 107 D 5.0948 7.6933 121.7983 50.5561 40.9800 173.7631 108 P 4.3910 0.0000 0.0000 64.6507 31.3929 177.6801 109 S 4.1474 7.6497 113.5715 61.2406 63.1514 175.7499 110 I 4.2037 7.5988 113.9277 62.9337 38.5583 177.4953 111 H 4.2747 8.1344 118.1734 58.7000 28.2544 177.8725 112 T 3.9386 7.5395 111.2280 65.0228 68.9999 176.6635 113 T 4.0438 7.8463 118.2059 66.1846 68.3273 176.6384 114 V 3.7050 7.5601 119.0609 66.1383 31.8416 177.7740 115 A 4.3256 8.4069 119.8665 54.3190 18.1530 179.3680 116 I 3.6805 7.3780 118.0807 64.2882 37.1789 176.2774 117 P 4.0453 0.0000 0.0000 66.2369 30.7420 178.3563 118 Q 4.0460 8.0007 116.8847 58.8126 28.9203 178.0247 119 I 3.8018 7.4737 120.5117 64.8449 37.2360 178.5957 120 V 3.6929 8.7298 119.3811 65.7389 31.1111 177.5470 121 A 3.9933 8.5155 120.7120 55.4964 18.0113 179.1677 122 L 3.8920 8.1103 118.4460 57.7371 41.9417 178.2836 123 F 4.2347 7.8769 114.5500 58.1651 39.3698 177.3210 124 E 4.1276 8.1555 118.3665 57.8375 29.6486 177.4292 125 L 4.0692 6.7160 118.4672 54.5358 42.2538 176.7798 126 D 4.3255 8.5368 122.4510 55.6056 41.2559 175.7512 127 N 4.3451 9.2537 120.5479 53.9073 37.6917 175.7237 128 A 3.9567 8.3562 118.8803 54.9192 18.2268 180.0432 129 I 3.7757 7.7914 110.4356 64.5077 37.8006 178.0230 130 E 4.0220 8.2818 120.3857 58.7224 28.8156 179.3598 131 R 3.9940 8.2913 119.3074 59.1652 30.2914 178.3081 132 L 3.9671 8.2160 119.2154 58.0756 41.5130 179.7144 133 V 3.6468 8.0107 116.6344 65.9893 31.3798 177.4822 134 A 4.1431 7.5068 119.1550 53.5703 18.7778 177.6976 135 C 4.1413 7.0735 113.1866 60.1180 28.6390 174.0440 136 Q 4.5630 8.4696 120.4549 55.8726 29.6943 175.9372 137 S 4.6553 7.6751 111.6809 55.1507 65.8714 173.3304 138 P 4.1913 0.0000 0.0000 66.0489 30.9665 178.6468 139 K 3.8922 8.0463 117.5589 59.6106 31.6733 178.3561 140 E 3.9440 8.0283 118.4422 59.3708 29.0876 179.7132 141 V 3.5621 7.4864 116.8744 66.0751 32.1227 177.5057 142 L 4.1454 8.1206 118.9428 57.8139 41.3436 179.6546 143 E 3.9355 8.2970 115.5141 57.1798 28.9957 178.8399 *145 V 3.9798 7.7517 121.5064 62.9683 33.5676 177.2595 146 E 3.8348 8.2067 119.9792 59.3125 29.3673 178.3060 147 E 3.8938 8.3315 117.9712 58.7581 28.7314 177.8488 148 S 4.3468 7.6776 111.4326 59.5552 62.4114 175.2231 149 K 3.9826 8.0979 119.9896 58.8364 32.0494 177.1394 150 D 4.7045 7.2514 119.6861 52.7258 38.9080 174.9276 151 S 4.4295 7.8306 114.6169 57.0087 65.4046 171.5892 152 P 4.4588 0.0000 0.0000 61.5256 32.0458 175.6875 153 Y 4.4709 8.0819 120.1601 58.1071 38.8578 175.3191 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 A 8.26 4.14 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 *2 N 7.81 4.62 0.00 2.83 2.79 0.00 0.00 6.85 6.66 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 3 L 8.66 3.54 0.00 1.50 1.53 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.91 3.86 0.00 1.82 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.47 7.81 5 Q 9.26 3.98 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 6 A 8.24 4.03 1.69 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 0.00 0.00 7 L 7.93 4.08 0.00 1.89 1.74 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.53 3.70 2.01 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 1.52 0.58 0.92 0.00 0.00 9 D 8.75 4.50 0.00 2.63 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 10 N 7.92 4.69 0.00 2.89 2.87 0.00 0.00 6.94 7.69 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 11 N 8.22 4.26 0.00 2.84 2.86 0.00 0.00 6.94 7.23 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 12 S 7.79 4.93 0.00 3.95 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 13 I 7.88 5.11 1.89 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 1.37 0.69 0.92 0.00 0.00 14 R 9.02 4.74 0.00 1.71 1.77 0.00 3.24 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 15 L 8.61 4.86 0.00 1.50 1.55 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.82 3.77 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 0.00 0.00 0.00 17 L 7.64 4.49 0.00 1.90 1.62 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.19 4.98 0.00 3.91 3.78 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 0.00 0.00 0.00 0.00 19 A 8.23 4.70 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 20 D 9.39 4.62 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.31 4.74 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 1.14 0.00 0.00 22 W 8.31 3.90 0.00 1.97 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 23 Q 6.39 3.21 0.00 1.63 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 24 E 7.58 3.85 0.00 2.07 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 0.00 2.26 2.24 0.00 25 A 7.67 4.05 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 26 V 8.19 3.66 2.45 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 1.19 0.00 0.00 1.48 0.00 0.00 27 R 8.35 3.52 0.00 1.47 1.91 0.00 2.73 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 0.00 28 L 7.95 3.97 0.00 1.83 1.73 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.24 4.18 1.46 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 0.00 0.00 0.00 30 V 7.88 3.90 2.23 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 1.21 0.00 0.00 1.10 0.00 0.00 31 Q 8.03 3.90 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 32 P 0.00 4.23 0.00 2.23 2.14 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 33 L 7.97 4.32 0.00 2.01 1.74 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.53 4.03 2.00 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 1.70 1.63 0.92 0.00 0.00 35 D 8.03 4.42 0.00 2.88 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 36 S 8.48 4.20 0.00 3.98 4.27 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 37 K 8.38 4.02 0.00 1.91 2.00 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.51 7.81 38 A 7.68 4.20 1.27 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 0.00 0.00 39 V 8.06 4.85 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 0.42 0.00 0.00 1.03 0.00 0.00 40 T 8.70 4.80 4.42 0.00 0.00 0.00 0.00 0.00 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 41 S 9.01 4.23 0.00 4.17 4.20 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 42 A 8.32 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 4.54 0.00 3.07 3.09 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 0.00 0.00 0.00 44 Y 8.20 4.06 0.00 3.16 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 0.00 45 D 8.13 3.93 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 3.98 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 47 I 7.52 3.55 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.35 0.78 0.00 0.00 48 I 7.69 3.87 1.69 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.32 0.82 0.00 0.00 49 A 8.12 4.09 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 50 S 8.46 4.37 0.00 4.35 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 51 T 8.27 4.30 4.66 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 0.38 0.00 0.00 52 E 8.30 4.06 0.00 2.04 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 2.63 2.83 0.00 53 K 7.94 3.96 0.00 1.61 1.67 0.00 1.44 0.00 0.00 1.49 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 0.91 7.81 54 Y 8.19 4.72 0.00 3.15 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 55 G 8.46 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 56 P 0.00 4.03 0.00 1.60 1.98 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 57 Y 7.22 3.99 0.00 3.01 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 58 Y 5.63 4.31 0.00 2.96 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 59 V 6.50 3.92 1.65 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 0.50 0.00 0.00 -0.14 0.00 0.00 60 L 7.87 3.96 0.00 1.47 1.57 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *62 P 0.00 4.00 0.00 2.05 2.00 0.00 3.61 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 1.90 2.05 0.00 63 G 8.93 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 *65 A 7.37 4.26 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 *67 P 0.00 2.97 0.00 1.96 1.66 0.00 3.62 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 2.02 2.05 0.00 68 H 7.69 4.97 0.00 3.19 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.27 4.69 1.25 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 0.00 0.00 0.00 70 E 8.29 4.11 0.00 2.16 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 0.00 2.18 2.31 0.00 71 A 7.64 4.82 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 72 G 8.71 4.08 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 0.00 0.00 0.00 73 L 8.01 4.21 0.00 1.92 1.87 0.96 0.51 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 74 G 8.89 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 75 V 7.39 4.11 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 0.61 0.00 0.00 0.31 0.00 0.00 76 N 9.64 4.91 0.00 2.80 2.80 0.00 0.00 7.01 6.97 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 77 R 7.85 4.15 0.00 1.84 2.00 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 78 N 8.57 5.04 0.00 2.51 2.53 0.00 0.00 7.10 7.35 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 79 A 7.32 4.36 1.13 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 80 F 9.06 5.57 0.00 2.90 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 81 A 9.00 5.11 1.28 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 0.00 0.00 0.00 82 L 9.26 5.18 0.00 1.67 1.52 0.97 1.11 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 83 I 9.09 5.90 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.96 0.00 0.00 84 T 8.48 5.15 4.27 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 1.25 0.00 0.00 85 L 8.69 5.25 0.00 1.59 1.63 1.06 0.85 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 86 T 8.64 4.17 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 87 K 7.82 4.69 0.00 1.72 1.69 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.43 7.81 88 P 0.00 4.91 0.00 1.98 2.04 0.00 3.65 0.00 0.00 3.74 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 89 V 9.00 4.62 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 1.00 0.00 0.00 1.00 0.00 0.00 90 T 8.44 5.10 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 1.26 0.00 0.00 91 F 9.73 3.94 0.00 2.98 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.37 0.00 3.97 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 93 D 8.04 4.72 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.43 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 0.00 0.00 0.00 95 K 8.23 4.17 0.00 1.81 1.68 0.00 1.61 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.37 7.81 96 E 8.81 5.16 0.00 1.95 1.90 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 2.39 2.33 0.00 97 V 8.97 4.68 2.39 0.00 0.00 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 0.00 0.00 0.83 0.00 0.00 98 S 9.56 4.81 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 99 V 7.92 4.98 2.26 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 1.05 0.00 0.00 1.04 0.00 0.00 100 L 9.12 4.99 0.00 1.73 1.62 1.05 0.49 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 0.00 101 L 8.81 5.60 0.00 1.78 1.73 1.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.47 4.34 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 1.43 0.00 0.00 103 L 8.39 4.45 0.00 1.73 1.64 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.41 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.19 5.07 1.09 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 0.00 0.00 0.00 0.00 0.00 106 T 9.77 3.88 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 1.19 0.00 0.00 107 D 7.69 5.09 0.00 2.68 2.59 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 0.00 108 P 0.00 4.39 0.00 2.26 2.16 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.41 0.00 109 S 7.65 4.15 0.00 4.11 3.93 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 0.00 0.00 0.00 110 I 7.60 4.20 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.29 0.87 0.00 0.00 111 H 8.13 4.27 0.00 3.19 3.34 0.00 5.62 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 0.00 112 T 7.54 3.94 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 1.12 0.00 0.00 113 T 7.85 4.04 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 0.00 114 V 7.56 3.70 2.33 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 0.87 0.00 0.00 1.01 0.00 0.00 115 A 8.41 4.33 1.66 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 0.00 0.00 116 I 7.38 3.68 2.07 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 1.94 1.19 0.93 0.00 0.00 117 P 0.00 4.05 0.00 2.26 2.31 0.00 3.79 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 2.19 2.09 0.00 118 Q 8.00 4.05 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 119 I 7.47 3.80 2.09 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 1.72 1.31 1.04 0.00 0.00 120 V 8.73 3.69 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 1.04 0.00 0.00 1.00 0.00 0.00 121 A 8.52 3.99 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 0.00 122 L 8.11 3.89 0.00 1.63 1.73 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.88 4.23 0.00 3.08 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 0.00 124 E 8.16 4.13 0.00 2.13 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 2.60 2.49 0.00 125 L 6.72 4.07 0.00 1.55 1.56 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.54 4.33 0.00 2.66 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 0.00 127 N 9.25 4.35 0.00 2.92 2.84 0.00 0.00 7.54 8.54 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 0.00 128 A 8.36 3.96 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 0.00 129 I 7.79 3.78 2.05 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 1.70 1.12 1.14 0.00 0.00 130 E 8.28 4.02 0.00 2.40 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 0.00 2.42 2.46 0.00 131 R 8.29 3.99 0.00 2.11 1.88 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 132 L 8.22 3.97 0.00 2.05 1.73 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.01 3.65 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 0.84 0.00 0.00 0.99 0.00 0.00 134 A 7.51 4.14 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 0.00 135 C 7.07 4.14 0.00 3.11 2.91 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 0.00 136 Q 8.47 4.56 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 137 S 7.68 4.66 0.00 3.95 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 0.00 138 P 0.00 4.19 0.00 2.17 2.19 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 139 K 8.05 3.89 0.00 1.86 1.80 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.76 7.81 140 E 8.03 3.94 0.00 2.16 1.98 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 2.32 2.32 0.00 141 V 7.49 3.56 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 0.83 0.00 0.00 0.92 0.00 0.00 142 L 8.12 4.15 0.00 1.95 1.70 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.30 3.94 0.00 2.22 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 2.31 2.30 0.00 *145 V 7.75 3.98 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 0.88 0.00 0.00 0.87 0.00 0.00 146 E 8.21 3.83 0.00 2.20 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 0.00 2.28 2.33 0.00 147 E 8.33 3.89 0.00 1.92 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 2.30 2.32 0.00 148 S 7.68 4.35 0.00 3.83 3.78 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 0.00 0.00 0.00 0.00 149 K 8.10 3.98 0.00 1.94 1.83 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.40 7.81 150 D 7.25 4.70 0.00 2.85 2.65 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 0.00 151 S 7.83 4.43 0.00 3.97 3.60 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 0.00 152 P 0.00 4.46 0.00 1.48 1.58 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 153 Y 8.08 4.47 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.