NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.1352 8.5281 116.2812 55.4523 31.1483 172.1407 1 M 5.2146 7.8598 115.7550 53.7569 34.2602 172.7634 2 R 4.8113 9.4428 120.4616 54.3000 33.1804 177.2605 3 K 4.6098 8.8329 123.0905 57.2148 33.7002 174.9546 4 A 5.0466 8.4334 124.9695 51.2735 22.9956 174.7938 5 W 4.8817 8.4994 115.1156 55.7892 32.2904 174.0112 6 V 4.0180 8.3474 120.6172 61.7786 30.5615 175.4668 7 K 4.2564 8.4949 131.1882 59.3338 32.5156 176.8774 8 T 4.4564 7.4232 107.5785 60.7310 72.0825 172.1303 9 L 5.0302 8.4361 125.2350 53.4375 42.1204 175.2805 10 A 4.5482 8.4561 126.7896 50.2158 21.3214 175.6291 11 L 4.5055 8.2375 120.9289 54.1878 44.1051 176.0584 12 D 4.9076 8.6514 125.1166 52.5447 41.6649 176.5330 13 R 4.2298 8.5165 119.9931 56.6517 29.9592 178.4326 14 V 3.6898 7.4235 117.9521 65.9972 31.7413 176.5122 15 S 4.4528 8.2357 111.7324 57.4441 62.3461 173.0396 16 N 4.2836 8.1583 115.4953 55.2485 37.9838 173.5155 17 T 4.8357 7.5938 110.2078 60.3063 72.9951 171.8702 18 P 4.7948 0.0000 0.0000 62.8677 32.9827 175.2969 19 V 4.3022 8.6471 123.3813 60.7387 34.4496 174.5725 20 V 3.8825 8.3104 128.3642 62.6942 32.8673 174.7762 21 I 4.3030 8.2987 129.1549 59.4719 38.7538 174.2970 22 L 4.3001 8.2279 128.6221 53.6317 42.7710 177.5124 23 G 2.2240 7.7320 112.0624 45.6290 0.0000 172.5221 24 I 4.7027 7.8330 120.4805 58.7886 40.0492 174.3709 25 E 4.0467 8.8004 127.9874 57.3677 29.9744 177.1131 26 G 3.8845 9.7478 115.4793 46.3498 0.0000 172.5204 27 T 4.6154 7.6330 107.5523 60.9356 71.8226 172.7894 28 N 4.9316 8.6921 116.1669 53.0435 39.5352 174.7680 29 R 4.9419 7.6555 117.2378 54.4425 33.3539 175.4669 30 V 4.5053 8.5787 113.9410 59.4053 36.2912 174.3546 31 L 4.9097 8.2123 123.8740 52.7155 44.2941 173.3637 32 P 4.8682 0.0000 0.0000 62.0723 32.9023 175.4327 33 I 4.6070 8.3247 124.2711 59.1392 40.3571 174.7464 34 W 4.8665 9.4968 127.7563 56.3845 29.7799 175.7647 35 I 4.7893 8.2521 116.3748 58.8460 40.7341 175.2798 36 G 3.8553 8.2034 112.4023 44.9639 0.0000 174.9231 37 A 3.9908 8.5969 120.8998 54.9694 18.4260 179.7648 38 A 3.9797 8.0513 118.8475 55.5262 18.4081 179.5398 39 E 4.1497 8.1130 116.6273 59.2297 29.6706 179.3311 40 G 3.6409 8.2558 105.4511 47.2164 0.0000 175.1569 41 H 4.2572 8.2071 120.3179 58.6316 29.9193 176.7477 42 A 4.0688 7.9336 122.4883 55.2491 18.1044 179.4817 43 L 3.8333 8.0361 118.2697 58.3298 42.1904 178.5981 44 A 3.9358 8.1319 121.0047 55.6830 17.4346 179.6911 45 L 3.8974 7.9575 116.8225 57.6009 41.7274 179.6740 46 A 4.0921 7.7548 121.0418 55.3047 18.1618 179.5923 47 M 3.9648 8.0654 116.3354 58.7199 32.1631 178.5068 48 E 3.9425 8.1512 117.4673 56.7269 30.9499 176.7713 49 K 3.7517 7.6505 118.9503 56.8372 30.2536 172.9107 50 M 4.7329 7.5347 117.6456 53.2452 35.0497 175.1558 51 E 4.1412 8.2860 118.6464 55.6775 29.4829 176.3935 52 F 5.2984 8.0453 120.6859 55.0198 42.4467 174.5549 53 P 4.5275 0.0000 0.0000 64.4329 31.5523 177.0735 54 R 4.6825 7.1684 114.0557 53.2109 32.2726 173.8659 55 P 4.4288 0.0000 0.0000 62.2981 31.9698 176.9806 56 L 4.3395 8.5773 123.4193 54.0151 43.6836 178.1061 57 T 3.8484 8.4479 116.4388 67.6673 68.3221 176.5613 58 H 4.2756 8.1262 117.2058 58.8071 28.8247 177.4592 59 D 4.4319 8.1567 120.4379 56.9265 40.6278 178.3387 60 L 3.9021 8.4162 121.3804 58.0987 42.1396 178.7365 61 L 3.9592 8.0355 120.2405 58.2930 41.9543 178.9751 62 L 4.0297 8.0567 118.8517 57.9424 41.4043 179.7098 63 S 4.1288 8.0453 115.1187 61.2215 62.5244 177.0000 64 V 3.5693 7.8835 121.2290 66.0097 31.2141 177.8654 65 L 3.9801 7.9489 118.7978 57.9931 41.5594 178.8138 66 E 3.9234 8.4300 119.3561 59.6868 29.3393 179.1474 67 S 4.2404 7.8507 113.4394 60.6168 63.0107 175.0487 68 L 4.6362 7.5154 121.2924 54.5147 44.0928 176.8778 69 E 3.7037 8.0552 113.3965 56.5362 26.9879 173.6451 70 A 4.8522 8.1235 120.5868 51.3296 23.2668 175.8959 71 R 4.5710 8.2228 114.5738 54.9537 33.4564 174.3667 72 V 3.8669 8.3347 120.6625 63.4851 31.4148 174.9122 73 D 4.7184 8.7479 128.6375 56.1836 42.2682 175.6909 74 K 4.5575 7.6065 114.9294 56.9170 35.9431 173.6388 75 V 5.0026 8.1923 119.2578 61.8214 35.2434 173.4708 76 I 4.9253 9.0019 127.8319 59.8619 40.9459 174.8365 77 I 4.4734 8.2850 128.3020 60.5244 36.2793 175.7392 78 H 4.5635 8.6894 123.2140 57.7911 29.6885 175.9114 79 S 4.8338 8.1502 112.6583 56.8071 67.9157 173.6097 80 L 5.2577 8.4817 125.5491 54.2452 43.5816 175.4117 81 K 4.4797 8.6209 127.4330 53.9147 34.0020 173.6546 82 D 4.2374 9.2012 118.9741 56.0369 37.5515 173.2126 83 N 3.9041 8.1272 118.7008 53.6859 37.1499 174.5090 84 T 4.5611 7.3866 113.2901 61.9926 72.2699 173.2924 85 F 5.1440 8.7415 124.9315 56.7030 41.0188 174.8402 86 Y 4.7289 9.2503 119.1913 56.3493 40.8840 174.8904 87 A 5.0289 8.6707 125.2693 50.5543 23.2742 175.2299 88 T 4.8194 8.8895 115.4073 62.2577 72.6168 173.8508 89 L 4.2967 8.6817 130.3701 55.0170 43.3918 175.8477 90 V 5.3337 8.4774 127.6170 61.0571 32.8745 174.8949 91 I 4.7874 8.3033 128.7315 60.1092 39.7809 174.4901 92 R 4.7537 8.5845 124.7931 54.3967 32.9274 174.3441 93 D 4.6583 8.4481 125.8731 54.2325 41.8008 176.0174 94 L 4.7263 8.3553 125.9281 55.3950 41.9633 177.8719 95 T 4.2418 8.4857 108.8395 61.0773 69.3410 171.7171 96 Y 3.4804 7.4803 125.4876 57.8307 38.2172 169.0384 *102 E 4.1549 8.1608 122.0034 56.1842 31.7311 177.9205 103 E 3.8366 8.0901 116.6996 59.3151 29.7078 178.2945 104 A 4.0584 7.9291 120.8228 54.3669 18.9861 177.4739 105 A 4.3914 7.5219 120.7787 52.5143 17.8571 176.5677 106 L 4.9750 7.4753 120.1152 53.1852 45.8957 177.7470 107 I 4.3799 8.6033 122.6328 59.8925 39.8193 174.7094 108 D 5.1281 8.8340 127.7852 53.1206 40.6608 175.0357 109 I 4.3664 8.5067 124.4530 59.8355 39.1930 174.5499 110 D 4.9126 8.6776 126.3159 54.2173 42.3286 175.1621 111 S 4.7271 8.4550 117.9154 57.0945 66.5263 174.0782 112 R 4.3534 8.5840 123.9562 55.1929 30.8088 176.1360 113 P 4.2606 0.0000 0.0000 66.5748 31.1278 178.1388 114 S 4.0334 8.2825 113.7655 62.5317 62.8241 176.3637 115 D 4.3620 7.9952 120.6236 57.1407 40.7893 178.5696 116 A 3.9806 7.9609 121.9089 54.9769 18.4339 179.3022 117 I 3.5859 8.0350 117.8759 64.6669 37.4360 178.5214 118 I 3.6135 7.7837 120.2471 64.6436 36.9606 178.6091 119 L 4.0570 7.7851 118.4936 57.2282 41.2666 179.5773 120 A 4.1358 7.8671 122.6327 54.4076 18.2022 179.5734 121 V 3.5243 7.6320 115.6319 66.3683 31.6072 178.1897 122 K 4.1233 7.8324 116.7183 58.8853 31.8785 178.6153 123 T 4.3841 7.7003 107.7966 61.3134 69.1892 176.3858 124 G 3.8266 8.4094 109.3835 45.4542 0.0000 172.7657 125 A 4.7157 7.5879 120.1339 49.5443 20.6990 176.0673 126 P 4.1996 0.0000 0.0000 62.6696 32.9911 175.2236 127 I 4.3745 8.0017 124.4498 60.2836 38.9458 174.7527 128 F 5.4546 9.0618 124.0875 55.6893 43.4755 174.0527 129 V 4.6999 9.0877 119.3714 60.7602 35.1155 174.7530 130 S 4.4287 8.6662 121.3308 59.4667 62.9634 175.0500 131 D 4.4217 9.0498 125.2800 57.6265 40.6163 178.5485 132 N 4.2695 8.6158 116.7651 57.0377 38.6568 176.5525 133 L 4.0864 8.0060 119.7001 57.8698 41.7195 179.3059 134 V 3.5931 7.5165 118.3524 66.2470 31.1040 177.4283 135 E 3.9508 7.9550 117.0871 59.3843 29.5633 178.5331 136 K 4.1714 7.5117 115.5224 58.5029 32.6473 177.5598 137 H 4.9321 8.5474 113.1576 55.5034 30.0265 174.6250 138 S 4.6575 7.6611 114.8044 58.8944 64.2518 172.7695 139 I 4.1356 7.8795 117.0592 60.5880 41.8459 173.2930 140 E 4.6982 8.8719 127.3786 55.5608 31.1471 176.3898 141 L 4.3197 8.2214 120.5825 54.7817 42.0882 176.7596 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 H 8.53 5.14 0.00 3.24 3.62 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.86 5.21 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 2 R 9.44 4.81 0.00 1.80 1.98 0.00 3.37 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 3 K 8.83 4.61 0.00 2.00 1.75 0.00 1.72 0.00 0.00 2.17 0.00 0.00 2.61 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 0.98 7.81 4 A 8.43 5.05 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 5 W 8.50 4.88 0.00 3.41 3.22 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 6 V 8.35 4.02 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 0.67 0.00 0.00 0.88 0.00 0.00 7 K 8.49 4.26 0.00 1.29 1.61 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.38 7.81 8 T 7.42 4.46 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 1.18 0.00 0.00 9 L 8.44 5.03 0.00 1.56 1.55 0.83 1.02 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 10 A 8.46 4.55 1.14 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 0.00 0.00 0.00 11 L 8.24 4.51 0.00 1.62 1.55 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.65 4.91 0.00 2.85 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 13 R 8.52 4.23 0.00 1.98 2.04 0.00 3.09 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 14 V 7.42 3.69 2.34 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 0.77 0.00 0.00 0.97 0.00 0.00 15 S 8.24 4.45 0.00 3.90 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 16 N 8.16 4.28 0.00 2.90 2.85 0.00 0.00 6.87 7.47 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 17 T 7.59 4.84 4.49 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 1.48 0.00 0.00 18 P 0.00 4.79 0.00 2.03 1.92 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 19 V 8.65 4.30 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 0.40 0.00 0.00 20 V 8.31 3.88 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 0.82 0.00 0.00 0.81 0.00 0.00 21 I 8.30 4.30 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.75 0.71 0.00 0.00 22 L 8.23 4.30 0.00 1.51 1.35 0.76 0.70 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 23 G 7.73 2.22 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 0.00 24 I 7.83 4.70 1.91 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 1.21 1.39 1.02 0.00 0.00 25 E 8.80 4.05 0.00 2.11 2.00 0.00 0.00 0.00 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 2.19 0.00 26 G 9.75 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 0.00 0.00 0.00 27 T 7.63 4.62 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 1.38 0.00 0.00 28 N 8.69 4.93 0.00 2.73 2.88 0.00 0.00 6.67 7.66 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 29 R 7.66 4.94 0.00 1.61 1.91 0.00 3.12 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.59 0.00 30 V 8.58 4.51 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 0.70 0.00 0.00 0.84 0.00 0.00 31 L 8.21 4.91 0.00 1.72 1.38 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.87 0.00 1.67 1.80 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 33 I 8.32 4.61 1.64 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 0.33 0.51 0.69 0.00 0.00 34 W 9.50 4.87 0.00 3.27 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 35 I 8.25 4.79 1.88 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 1.11 0.64 0.91 0.00 0.00 36 G 8.20 3.86 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 0.00 0.00 0.00 37 A 8.60 3.99 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 38 A 8.05 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 39 E 8.11 4.15 0.00 2.27 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 2.42 2.47 0.00 40 G 8.26 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.21 4.26 0.00 3.39 3.47 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.93 4.07 1.48 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 0.00 0.00 43 L 8.04 3.83 0.00 1.74 1.77 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.13 3.94 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 45 L 7.96 3.90 0.00 1.96 1.77 1.21 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.75 4.09 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 47 M 8.07 3.96 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 48 E 8.15 3.94 0.00 2.11 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 2.40 2.45 0.00 49 K 7.65 3.75 0.00 2.10 1.76 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.31 7.81 50 M 7.53 4.73 0.00 2.16 1.79 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.30 0.00 51 E 8.29 4.14 0.00 1.90 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 2.24 2.24 0.00 52 F 8.05 5.30 0.00 3.07 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 53 P 0.00 4.53 0.00 2.08 2.15 0.00 3.76 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 2.07 2.17 0.00 54 R 7.17 4.68 0.00 1.77 1.83 0.00 3.35 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 55 P 0.00 4.43 0.00 2.20 2.10 0.00 3.79 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 2.00 2.00 0.00 56 L 8.58 4.34 0.00 2.00 1.72 1.12 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.45 3.85 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 1.15 0.00 0.00 58 H 8.13 4.28 0.00 3.27 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.16 4.43 0.00 2.97 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 60 L 8.42 3.90 0.00 1.80 1.85 0.93 0.47 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 61 L 8.04 3.96 0.00 1.76 1.86 0.95 0.57 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 62 L 8.06 4.03 0.00 1.77 1.72 0.93 0.73 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 63 S 8.05 4.13 0.00 4.17 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 64 V 7.88 3.57 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 1.04 0.00 0.00 0.94 0.00 0.00 65 L 7.95 3.98 0.00 1.94 1.93 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.43 3.92 0.00 2.25 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 2.32 2.34 0.00 67 S 7.85 4.24 0.00 4.02 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 68 L 7.52 4.64 0.00 1.60 1.73 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.06 3.70 0.00 2.16 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 2.27 2.25 0.00 70 A 8.12 4.85 1.23 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 0.00 0.00 0.00 71 R 8.22 4.57 0.00 1.85 2.02 0.00 2.80 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 72 V 8.33 3.87 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 0.78 0.00 0.00 0.95 0.00 0.00 73 D 8.75 4.72 0.00 2.76 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 74 K 7.61 4.56 0.00 2.25 2.08 0.00 1.59 0.00 0.00 1.96 0.00 0.00 2.66 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.45 7.81 75 V 8.19 5.00 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 0.92 0.00 0.00 0.95 0.00 0.00 76 I 9.00 4.93 1.97 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 1.37 0.80 1.02 0.00 0.00 77 I 8.29 4.47 1.90 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 1.26 1.09 0.97 0.00 0.00 78 H 8.69 4.56 0.00 3.18 3.50 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.15 4.83 0.00 3.74 3.67 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 80 L 8.48 5.26 0.00 1.01 1.36 -0.38 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.62 4.48 0.00 1.79 1.55 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 0.99 7.81 82 D 9.20 4.24 0.00 2.80 2.64 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 0.00 0.00 0.00 83 N 8.13 3.90 0.00 2.70 2.73 0.00 0.00 6.98 7.54 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 84 T 7.39 4.56 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 85 F 8.74 5.14 0.00 3.01 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 86 Y 9.25 4.73 0.00 3.02 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 87 A 8.67 5.03 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 88 T 8.89 4.82 4.34 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 1.34 0.00 0.00 89 L 8.68 4.30 0.00 1.80 1.60 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.48 5.33 2.28 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 0.88 0.00 0.00 1.05 0.00 0.00 91 I 8.30 4.79 1.89 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 1.26 0.80 0.93 0.00 0.00 92 R 8.58 4.75 0.00 1.87 1.86 0.00 3.11 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 93 D 8.45 4.66 0.00 2.80 2.56 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 94 L 8.36 4.73 0.00 1.70 1.74 0.95 0.87 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 95 T 8.49 4.24 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 1.28 0.00 0.00 96 Y 7.48 3.48 0.00 3.07 3.05 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 *102 E 8.16 4.15 0.00 1.86 1.54 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 2.20 2.23 0.00 103 E 8.09 3.84 0.00 2.03 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 2.25 2.24 0.00 104 A 7.93 4.06 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 0.00 105 A 7.52 4.39 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 0.00 106 L 7.48 4.97 0.00 1.48 1.55 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.60 4.38 1.89 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 1.24 0.90 0.93 0.00 0.00 108 D 8.83 5.13 0.00 2.57 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 0.00 109 I 8.51 4.37 2.02 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 1.14 1.27 0.94 0.00 0.00 110 D 8.68 4.91 0.00 2.74 2.61 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 0.00 111 S 8.45 4.73 0.00 3.93 3.66 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 0.00 112 R 8.58 4.35 0.00 1.91 1.82 0.00 3.17 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 113 P 0.00 4.26 0.00 2.19 2.27 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 114 S 8.28 4.03 0.00 3.89 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 0.00 115 D 8.00 4.36 0.00 2.72 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 0.00 116 A 7.96 3.98 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 0.00 117 I 8.03 3.59 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.84 0.00 0.00 118 I 7.78 3.61 1.76 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 1.44 1.01 0.58 0.00 0.00 119 L 7.79 4.06 0.00 1.86 1.73 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.87 4.14 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 0.00 121 V 7.63 3.52 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 0.84 0.00 0.00 0.96 0.00 0.00 122 K 7.83 4.12 0.00 1.79 1.85 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.59 7.81 123 T 7.70 4.38 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 1.26 0.00 0.00 124 G 8.41 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 0.00 125 A 7.59 4.72 1.23 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 0.00 0.00 0.00 126 P 0.00 4.20 0.00 1.28 2.01 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 127 I 8.00 4.37 1.95 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 1.29 0.85 0.86 0.00 0.00 128 F 9.06 5.45 0.00 3.04 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 0.00 129 V 9.09 4.70 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 0.87 0.00 0.00 0.94 0.00 0.00 130 S 8.67 4.43 0.00 4.02 4.09 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 0.00 131 D 9.05 4.42 0.00 2.97 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 0.00 132 N 8.62 4.27 0.00 2.77 2.89 0.00 0.00 7.15 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 0.00 133 L 8.01 4.09 0.00 2.01 1.90 1.23 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 134 V 7.52 3.59 2.27 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 1.03 0.00 0.00 1.04 0.00 0.00 135 E 7.95 3.95 0.00 2.19 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 2.33 2.38 0.00 136 K 7.51 4.17 0.00 1.73 1.63 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.34 7.81 137 H 8.55 4.93 0.00 3.37 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.66 4.66 0.00 3.93 4.01 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 0.00 139 I 7.88 4.14 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.32 0.93 0.00 0.00 140 E 8.87 4.70 0.00 2.01 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 2.29 2.41 0.00 141 L 8.22 4.32 0.00 1.65 1.53 0.91 0.77 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 * Residues marked with a * may have inaccurate shift predictions.