NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.6667 0.0000 0.0000 62.5246 34.1309 174.7283 *3 C 4.6634 8.2817 119.8186 59.4780 32.6723 171.7264 4 E 4.9536 8.7678 125.3674 54.3003 32.0242 174.6522 5 L 4.6332 8.8627 126.9399 53.5367 43.8429 174.8896 6 I 4.8107 8.4831 128.5498 59.8349 39.6489 174.8586 7 T 4.9913 8.5856 120.9438 60.6745 71.1197 173.1478 8 N 4.9796 8.6318 123.0549 52.8504 38.3338 174.4791 9 I 4.3924 7.8639 121.2923 60.2506 38.1068 175.2119 10 S 4.0634 8.7220 121.1315 57.1918 62.8635 173.0503 11 I 4.6178 7.5763 119.8479 57.4773 40.7839 173.8479 12 P 4.3337 0.0000 0.0000 62.1327 33.1405 177.2233 13 D 4.2829 8.5912 120.3735 57.7683 40.7282 179.0940 14 D 4.2896 7.9803 118.7978 56.5669 39.2332 178.5333 15 K 3.9462 7.9304 120.5179 58.7619 32.1846 178.5036 16 A 3.8232 7.7988 121.2006 55.1430 18.2107 179.6012 17 Q 3.9150 8.2164 116.7215 59.1636 28.8052 178.7003 18 N 4.3060 8.1210 117.4354 56.6896 38.5907 177.5511 19 T 3.6683 8.0996 117.1561 66.6721 68.4960 176.7857 20 L 4.0077 8.1553 120.9617 57.6460 41.5861 179.5286 21 S 4.1127 8.4315 115.6518 61.9523 62.8808 176.8083 22 E 3.9876 8.2315 120.8808 59.3536 29.1430 179.5161 23 I 3.6996 7.8832 119.9076 64.4961 37.1214 178.3446 24 E 3.9825 8.4360 119.5747 59.3883 29.1385 179.1813 25 D 4.3136 8.3019 118.8120 57.3203 40.8270 178.5979 26 A 3.8671 8.0805 121.2119 55.1351 18.3494 179.7405 27 I 3.6375 7.8955 118.2279 64.5769 37.2769 178.4354 28 S 4.3783 8.0931 115.2324 60.9651 61.9937 176.1119 29 N 4.3353 8.6417 118.4726 56.4140 38.4265 177.3678 30 I 3.9190 7.8651 120.1330 64.1462 37.4684 177.8408 31 L 4.3444 7.8465 116.5318 54.9466 41.9217 177.8167 32 G 3.9868 8.4374 108.0429 44.7525 0.0000 173.6073 33 K 4.6279 7.4977 118.0160 53.3533 34.8829 173.6326 34 P 4.3189 0.0000 0.0000 63.6361 32.0213 177.0753 35 V 4.5262 7.9779 112.7528 60.6826 32.3244 177.6720 36 A 3.8807 8.1803 123.5514 54.9143 18.6746 178.5259 37 Y 4.4550 7.7620 110.4609 57.6958 38.6791 175.6417 38 I 4.0263 7.3997 121.9898 61.2236 38.5681 174.8442 39 M 4.7654 8.7544 128.1190 54.2617 33.4228 175.4635 40 S 5.3894 8.2096 115.0594 56.1950 67.0203 172.2712 41 N 4.7777 8.3314 116.1433 52.9230 42.2644 172.3848 42 Y 4.7707 8.7488 125.9119 56.1376 40.5422 174.4444 43 D 4.9226 9.1578 128.7332 52.5656 43.1880 174.3463 44 Y 4.8699 8.8175 128.4463 57.5730 39.7765 175.1037 45 Q 4.1340 9.0334 126.1091 53.4753 30.4345 175.8413 46 K 3.6072 8.0431 125.3162 58.7926 32.5484 177.3378 47 N 4.7529 7.7796 113.2178 52.7798 38.9455 174.8686 48 L 4.0934 7.6513 121.6092 55.2346 42.6602 176.3487 49 R 4.8736 8.2507 123.2094 54.4254 34.0933 174.6332 50 F 4.5612 8.3711 121.5992 57.8980 42.2293 174.7819 51 S 3.5143 9.1373 122.9700 59.5014 60.1461 173.1838 52 G 3.8285 8.6916 105.0159 45.4500 0.0000 173.8366 53 S 4.5250 7.7243 112.8834 56.4712 65.3216 173.5543 54 N 5.0394 8.6566 124.2009 53.4291 38.7430 174.6268 55 E 4.2382 8.1277 116.3964 55.3596 30.1163 176.7592 56 G 4.0248 8.2838 108.1750 46.1413 0.0000 172.3827 57 Y 5.1346 9.2226 123.9066 56.7415 43.1867 172.6420 58 C 4.8157 8.4182 126.0584 57.3425 35.1058 172.0049 59 F 5.2735 8.7988 128.9444 56.3687 41.5289 174.0248 60 V 4.3523 8.3860 126.4336 60.9524 33.7128 173.9162 61 R 4.4761 8.2541 129.0979 54.2745 32.4449 174.3421 62 L 4.6775 8.6301 126.9318 53.3654 43.7119 175.5869 63 T 4.8038 8.3176 121.5146 61.9158 70.6418 175.1131 64 S 3.5595 8.8442 124.8904 60.3733 60.5503 172.1135 65 I 4.1919 7.8200 118.3953 62.9809 39.4789 177.2599 *71 S 4.3720 7.8364 113.1748 58.2449 63.9351 174.4727 72 N 4.8223 7.7766 115.3767 53.4865 38.4405 176.6106 73 N 4.0919 7.7120 121.8283 56.2544 38.3853 177.2623 74 S 4.1831 7.8562 114.2001 60.9473 62.5563 175.9330 75 L 3.9741 7.8357 121.4515 57.7219 41.3778 178.9992 76 L 3.9813 8.3300 120.3397 58.1729 42.0362 178.8734 77 A 4.0096 8.3155 120.7510 55.0456 18.2926 179.1728 78 D 4.2498 8.1762 116.6989 57.3689 41.2695 178.4182 79 K 3.9438 8.0524 120.1693 59.5827 32.1463 178.8269 80 I 3.6729 7.9867 120.2470 64.7300 36.9829 178.5010 81 T 3.8653 8.0527 116.5471 66.4753 68.2423 176.8900 82 K 4.0336 7.8523 121.6087 58.9388 32.1128 179.1490 83 I 3.7605 7.9510 120.3781 64.7575 37.0165 178.4982 84 L 4.0527 8.2972 120.0549 57.7196 40.9282 179.6795 85 S 4.2754 8.2925 114.4037 61.7378 61.2809 175.7092 86 N 4.3270 8.3480 120.7025 56.9823 38.5109 176.6033 87 H 4.5403 8.6410 118.1188 57.8482 29.1202 176.9493 88 L 4.5694 8.2340 118.4310 53.2980 42.9487 176.3577 89 S 4.2386 7.6829 113.1025 58.2705 60.9871 172.5506 90 V 4.2462 7.6467 117.7408 59.8510 33.0699 175.9137 91 K 4.0423 8.5690 121.7355 56.2528 32.7275 176.2861 92 P 4.2614 0.0000 0.0000 65.6036 31.4081 178.1429 93 R 4.3932 8.0663 111.9637 57.5588 29.8584 176.6890 94 R 5.1436 8.3724 119.1175 56.3041 31.5084 175.1546 95 V 4.6938 7.9384 118.9659 61.2395 33.8503 174.0621 96 Y 4.7904 8.7751 128.3958 55.8713 42.0228 173.7177 97 I 4.6872 7.9594 126.6016 59.3078 40.2146 174.3224 98 E 4.5931 8.9479 128.1514 54.2716 32.5994 174.2837 99 F 5.1612 8.9731 125.2282 56.1821 40.5516 175.2638 100 R 4.9126 9.2138 123.4308 54.2685 33.1425 174.5272 101 D 5.0268 8.6095 121.9315 51.5330 42.0989 175.6790 *106 N 4.5084 8.6336 118.5426 53.7668 38.8842 173.0198 107 F 4.8342 8.8139 123.4643 55.4275 41.5676 175.2240 108 A 4.9703 7.8801 126.0602 50.5267 22.0942 175.3973 109 F 4.7865 8.4795 117.3098 56.1410 42.9283 174.5237 110 S 4.7152 8.7243 119.6733 57.1934 63.6052 175.2014 111 G 4.0226 8.7469 112.6912 47.5985 0.0000 176.1295 112 S 4.2759 8.0525 116.7776 61.2685 62.6679 176.3066 113 L 3.6217 6.9265 120.7086 57.0312 41.2219 178.0407 114 F 4.8597 7.6796 115.1148 57.5402 41.0352 175.4960 115 G 3.8226 8.0700 107.0000 46.7291 0.0000 173.6504 *116 G 3.7078 7.7921 113.7461 44.9337 0.0000 172.3164 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 P 0.00 4.67 0.00 2.04 2.25 0.00 4.13 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 2.08 1.82 0.00 *3 C 8.28 4.66 0.00 2.95 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 4 E 8.77 4.95 0.00 1.94 1.95 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 2.19 2.01 0.00 5 L 8.86 4.63 0.00 1.53 1.55 0.65 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.48 4.81 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.52 0.98 0.00 0.00 7 T 8.59 4.99 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 0.97 0.00 0.00 8 N 8.63 4.98 0.00 2.95 3.06 0.00 0.00 6.88 7.30 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 9 I 7.86 4.39 2.01 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 1.28 0.71 1.02 0.00 0.00 10 S 8.72 4.06 0.00 3.30 3.61 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 0.00 0.00 0.00 0.00 11 I 7.58 4.62 1.77 0.00 0.00 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 0.93 0.35 0.95 0.00 0.00 12 P 0.00 4.33 0.00 2.32 1.93 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 13 D 8.59 4.28 0.00 2.62 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 14 D 7.98 4.29 0.00 2.83 2.89 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 15 K 7.93 3.95 0.00 1.79 1.90 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.26 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.53 7.81 16 A 7.80 3.82 0.95 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 0.00 0.00 17 Q 8.22 3.91 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 18 N 8.12 4.31 0.00 2.94 2.89 0.00 0.00 7.07 7.11 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 19 T 8.10 3.67 4.41 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 1.21 0.00 0.00 20 L 8.16 4.01 0.00 1.69 1.72 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.43 4.11 0.00 4.05 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 22 E 8.23 3.99 0.00 2.11 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 2.33 2.50 0.00 23 I 7.88 3.70 1.83 0.00 0.00 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 1.48 0.73 0.85 0.00 0.00 24 E 8.44 3.98 0.00 2.11 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 2.32 2.50 0.00 25 D 8.30 4.31 0.00 2.87 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 26 A 8.08 3.87 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 27 I 7.90 3.64 2.04 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 1.42 0.97 0.93 0.00 0.00 28 S 8.09 4.38 0.00 3.95 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 29 N 8.64 4.34 0.00 2.73 2.86 0.00 0.00 7.15 5.12 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 30 I 7.87 3.92 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.47 0.92 0.00 0.00 31 L 7.85 4.34 0.00 1.74 1.71 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.44 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 0.00 0.00 0.00 33 K 7.50 4.63 0.00 1.78 1.71 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.37 7.81 34 P 0.00 4.32 0.00 2.05 2.01 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 35 V 7.98 4.53 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 0.88 0.00 0.00 0.93 0.00 0.00 36 A 8.18 3.88 1.11 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 0.00 0.00 37 Y 7.76 4.46 0.00 2.96 2.97 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 38 I 7.40 4.03 1.90 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 0.76 1.00 0.00 0.00 39 M 8.75 4.77 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 40 S 8.21 5.39 0.00 3.86 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 41 N 8.33 4.78 0.00 2.84 2.63 0.00 0.00 6.35 7.56 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 42 Y 8.75 4.77 0.00 3.01 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 43 D 9.16 4.92 0.00 2.70 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 44 Y 8.82 4.87 0.00 3.22 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 45 Q 9.03 4.13 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.57 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 46 K 8.04 3.61 0.00 1.31 1.67 0.00 1.87 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.51 7.81 47 N 7.78 4.75 0.00 2.71 2.80 0.00 0.00 6.84 7.85 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 48 L 7.65 4.09 0.00 1.71 1.72 0.99 1.13 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 49 R 8.25 4.87 0.00 1.72 1.68 0.00 3.20 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.77 0.00 50 F 8.37 4.56 0.00 1.51 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 0.00 0.00 0.00 51 S 9.14 3.51 0.00 3.50 3.46 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 52 G 8.69 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 53 S 7.72 4.52 0.00 3.76 3.68 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 54 N 8.66 5.04 0.00 2.69 2.78 0.00 0.00 7.11 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 55 E 8.13 4.24 0.00 2.06 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 2.36 2.42 0.00 56 G 8.28 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 57 Y 9.22 5.13 0.00 3.22 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 58 C 8.42 4.82 0.00 2.81 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 59 F 8.80 5.27 0.00 2.91 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 60 V 8.39 4.35 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 0.58 0.00 0.00 0.72 0.00 0.00 61 R 8.25 4.48 0.00 1.04 1.36 0.00 3.16 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 62 L 8.63 4.68 0.00 0.98 1.36 0.01 0.33 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 63 T 8.32 4.80 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 1.22 0.00 0.00 64 S 8.84 3.56 0.00 4.02 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 65 I 7.82 4.19 1.92 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 1.42 0.86 0.99 0.00 0.00 *71 S 7.84 4.37 0.00 3.83 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 72 N 7.78 4.82 0.00 2.74 2.78 0.00 0.00 7.15 6.92 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 73 N 7.71 4.09 0.00 2.26 1.68 0.00 0.00 6.67 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 74 S 7.86 4.18 0.00 3.85 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 75 L 7.84 3.97 0.00 1.96 1.71 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.33 3.98 0.00 1.81 2.00 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.32 4.01 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.25 0.00 2.93 2.84 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 79 K 8.05 3.94 0.00 2.03 1.96 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.53 7.81 80 I 7.99 3.67 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.82 0.00 0.00 81 T 8.05 3.87 4.38 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 1.23 0.00 0.00 82 K 7.85 4.03 0.00 1.99 1.87 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.49 7.81 83 I 7.95 3.76 2.02 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 1.54 0.73 0.89 0.00 0.00 84 L 8.30 4.05 0.00 1.65 1.70 0.82 0.71 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 85 S 8.29 4.28 0.00 4.07 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 86 N 8.35 4.33 0.00 2.83 3.07 0.00 0.00 7.21 7.17 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 87 H 8.64 4.54 0.00 3.19 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.23 4.57 0.00 1.84 1.75 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.68 4.24 0.00 4.11 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 90 V 7.65 4.25 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 0.81 0.00 0.00 1.01 0.00 0.00 91 K 8.57 4.04 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.58 1.54 7.81 92 P 0.00 4.26 0.00 2.22 2.15 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 93 R 8.07 4.39 0.00 2.04 2.13 0.00 3.05 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 94 R 8.37 5.14 0.00 2.01 2.37 0.00 3.56 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 95 V 7.94 4.69 2.24 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 0.69 0.00 0.00 0.98 0.00 0.00 96 Y 8.78 4.79 0.00 2.86 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 97 I 7.96 4.69 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.67 0.54 0.00 0.00 98 E 8.95 4.59 0.00 2.13 1.85 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 2.26 2.37 0.00 99 F 8.97 5.16 0.00 2.92 2.98 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 0.00 100 R 9.21 4.91 0.00 1.73 1.83 0.00 3.14 0.00 0.00 3.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 101 D 8.61 5.03 0.00 2.65 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 *106 N 8.63 4.51 0.00 2.79 2.93 0.00 0.00 6.89 7.02 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 0.00 107 F 8.81 4.83 0.00 2.99 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 0.00 108 A 7.88 4.97 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 0.00 109 F 8.48 4.79 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 0.00 110 S 8.72 4.72 0.00 3.95 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 0.00 111 G 8.75 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 0.00 112 S 8.05 4.28 0.00 4.00 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 0.00 113 L 6.93 3.62 0.00 0.27 0.85 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 F 7.68 4.86 0.00 3.01 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 0.00 115 G 8.07 3.82 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 0.00 0.00 0.00 *116 G 7.79 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.