NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4034 8.0327 111.0781 61.6691 70.4826 172.2534 6 V 4.6092 8.3917 125.9704 59.7972 34.3213 169.3796 7 V 4.3286 8.8386 127.1114 62.2052 34.7954 174.5799 8 N 4.2351 9.7723 123.7798 54.4618 35.9688 175.0974 9 G 3.8651 8.4067 102.9523 45.8700 0.0000 173.9417 10 V 4.1110 7.5750 120.3699 60.6902 33.0036 174.5956 11 N 4.4020 8.5141 125.0853 53.6474 38.6535 175.3300 12 V 3.7025 8.1170 128.0483 65.4274 31.7628 177.2771 13 D 4.4697 8.0470 117.9149 57.3170 40.9855 177.8209 14 Q 4.1476 8.5075 120.1200 58.9510 29.0197 178.2566 15 L 3.9743 7.7391 117.0437 56.2599 41.9354 178.0537 *17 A 4.2771 7.8809 121.7238 52.3116 20.6832 179.8853 18 T 3.9105 8.2457 112.7802 66.8326 68.4217 176.9426 19 I 3.7192 7.8523 121.6753 64.4795 37.2367 178.4174 20 E 3.9787 8.0900 118.8592 59.4966 29.4160 179.1444 21 Q 4.0431 8.1683 118.0888 59.1009 28.5099 179.1484 22 I 3.9379 7.9563 120.7837 64.2415 36.9282 178.4591 23 K 3.9271 8.0244 118.2263 59.6147 31.9675 178.9072 24 A 4.3042 7.7866 119.5960 53.6361 19.8635 177.7383 25 K 4.5256 7.9706 118.0758 52.7970 32.5472 174.4296 26 P 4.5514 0.0000 0.0000 64.2688 31.5847 177.4440 27 E 4.0950 8.2658 115.8938 59.2345 29.4970 178.8368 28 I 3.7028 7.8045 120.7518 64.2343 36.9285 177.0876 29 A 4.7632 7.8723 118.8156 51.9914 18.7263 176.9982 30 Q 4.4597 8.0663 118.5789 55.4379 29.6173 175.2359 31 F 5.0413 9.1324 122.6020 55.4876 42.4425 175.1665 32 K 4.6468 9.0328 120.5289 54.7704 35.2898 175.4277 33 F 5.3609 8.9443 122.9662 55.9863 41.6139 175.2267 34 R 4.8020 8.7420 118.5333 54.9193 34.1193 174.1641 35 A 5.1290 8.2893 120.1736 51.0501 22.5741 175.3821 36 T 4.8105 8.7947 108.7838 60.0115 72.5796 172.5067 37 N 5.4971 8.6308 120.1293 52.1490 42.4367 172.9406 38 Q 4.7208 8.9363 126.9966 53.8451 31.8595 175.4028 39 W 4.7180 8.9011 135.0000 56.9161 32.1222 174.6847 *41 G 3.0417 8.3429 107.0253 45.9826 0.0000 173.1843 42 G 3.8442 8.9439 111.5805 47.2195 0.0000 174.4470 43 T 4.3423 8.5873 113.6580 62.2640 69.1083 173.0842 44 H 5.6087 8.3322 123.4708 55.2701 30.9060 173.7808 45 N 5.2491 9.2419 122.0829 51.6142 41.7894 172.8006 46 Q 5.0071 9.0714 119.3756 54.3758 32.3233 173.5023 47 A 5.2528 9.1010 128.2470 50.7089 22.0500 175.5000 48 T 4.9389 9.1165 117.4993 61.8308 72.1621 173.0275 49 I 4.4672 8.5603 126.4331 60.4199 39.2782 174.4157 50 K 4.7036 8.9827 126.2720 56.8386 35.7586 175.7230 51 D 5.1701 8.1887 119.3837 53.0628 41.9004 175.5401 52 F 5.1245 8.6273 113.9932 55.8751 42.4002 172.1390 53 Y 4.7450 8.6434 119.8590 55.5747 41.7611 174.4899 54 G 2.5402 7.8228 110.9300 44.4324 0.0000 172.4182 55 A 4.5079 8.3103 119.8318 52.3126 15.9690 177.3496 56 C 4.0182 8.2354 110.7378 60.2259 26.2487 173.4592 57 A 4.5076 6.3988 119.9029 50.6352 21.9043 176.7138 58 E 4.1503 8.6312 120.8311 56.2324 30.3243 176.4317 59 D 4.5062 8.6733 122.9992 52.6827 42.0398 175.5239 60 D 4.9494 8.3212 129.3300 54.0236 41.7940 176.8552 61 T 4.2482 8.3555 109.6128 62.6189 69.7169 175.3708 62 R 4.2599 7.9138 123.1025 55.9651 30.9927 176.9613 63 K 4.3173 8.3535 122.3267 53.5342 32.8276 178.0414 64 P 5.0937 0.0000 0.0000 61.7577 31.9715 175.2337 *66 V 4.0203 8.0679 116.5900 63.3473 32.5473 176.1186 67 F 4.9824 9.1371 125.3372 55.8409 42.6730 173.4324 68 D 5.3409 8.9804 122.7642 52.9379 43.0295 175.2235 69 L 5.1885 8.9277 123.3397 53.1028 44.8360 174.4766 70 D 4.8824 8.9646 123.8934 54.0661 46.8963 173.7224 71 E 5.1063 8.6465 114.6416 54.2610 34.5202 173.2927 72 P 5.4448 0.0000 0.0000 61.2426 32.6966 175.5011 73 P 4.6721 0.0000 0.0000 65.0307 31.2204 179.4217 74 V 3.7597 7.7977 115.6399 63.7047 31.4765 176.4809 75 L 4.4996 7.6794 119.9002 54.5936 41.6728 176.9862 76 L 3.8335 8.0748 116.5253 55.0381 39.7408 174.6438 77 G 4.4111 7.5373 109.2089 43.6294 0.0000 174.5569 78 E 4.7794 8.4444 119.9402 55.8323 31.4689 175.1188 79 N 4.1867 8.1575 114.0420 54.7633 36.4967 175.5191 80 R 4.1613 9.2339 113.8943 54.5917 30.2932 176.7905 81 G 4.4784 7.9886 106.6823 44.0214 0.0000 172.8255 82 A 4.2134 8.0504 123.6494 51.8762 19.2457 176.9193 83 N 5.7436 8.9515 119.4789 50.7360 40.2919 174.6628 84 P 4.3022 0.0000 0.0000 66.0364 31.2742 179.3916 85 V 3.8399 7.8314 110.5008 63.9932 31.4715 178.3829 86 E 4.0375 9.1319 119.2641 59.6689 29.2633 178.7642 87 Y 3.9310 8.3668 116.8047 60.8902 37.7756 178.6294 88 L 3.9769 8.1044 121.3699 58.1668 42.1548 178.9948 89 L 3.8327 7.7582 119.1103 57.5696 41.5018 179.5454 90 V 3.3177 7.7652 118.0228 65.8577 31.4289 177.8419 91 A 3.8895 8.0238 120.3975 55.1578 18.1817 179.2898 92 L 3.9313 7.9641 119.0850 58.2604 42.1509 179.3143 93 S 4.4821 7.4503 115.9980 60.9397 62.7134 176.7845 94 G 3.5598 8.0648 109.5742 47.3296 0.0000 175.3721 95 C 4.0970 8.1358 120.9897 62.3273 31.5991 175.6078 96 L 4.0605 8.2656 120.7992 58.1124 41.2217 179.7547 97 T 4.0548 8.1341 115.5842 67.1139 68.4229 176.9751 98 T 3.8903 8.1654 117.8011 66.5844 68.2524 176.7237 99 S 4.1318 8.4490 115.5039 61.1763 62.3867 175.9456 100 L 3.8762 8.0898 123.1995 58.2006 41.7636 179.2095 101 V 3.5424 7.8919 117.8889 65.9356 31.5021 177.8892 102 A 3.9270 8.3637 120.9866 55.5186 17.6938 179.4076 103 H 4.0464 8.3511 114.5443 58.5534 28.6166 177.9021 104 A 3.9660 8.2034 122.6003 55.0768 18.1767 179.3306 105 A 3.8813 8.2268 119.3132 55.5122 18.2527 179.7779 106 A 3.9236 7.8807 117.5433 54.7306 18.4605 179.0260 107 R 4.3698 7.4043 113.2116 55.6166 30.4926 177.1745 108 G 3.7632 8.0549 107.2768 46.0132 0.0000 173.7184 109 I 4.1154 7.8006 120.9308 59.2374 37.1080 175.5373 110 A 4.4741 8.3825 129.1189 51.6292 19.2052 176.1605 111 L 4.7909 8.8936 122.4768 53.1452 43.8775 177.2293 112 R 4.1894 9.0750 122.8885 58.9559 30.9314 177.1499 113 G 4.2439 7.7006 102.6136 45.4307 0.0000 172.7545 114 V 5.2176 8.3242 121.3978 61.0614 34.6768 174.1477 115 K 4.9541 9.2590 125.8681 55.8891 36.4416 174.8876 116 S 4.8973 8.2734 114.1849 57.1628 65.8643 173.2738 117 R 4.9014 8.4676 116.4431 54.7870 33.2419 173.6319 118 Y 4.9813 8.4720 116.8260 56.4126 42.5663 173.8930 119 E 4.9579 9.2791 123.3768 54.7462 33.5445 174.0654 120 G 4.4464 8.8224 112.7315 44.3429 0.0000 171.2113 121 D 5.4093 8.7346 121.3766 51.5865 42.4658 175.2094 122 I 4.8448 8.1658 119.8697 59.8940 41.6907 173.9703 123 D 4.7590 8.5762 125.4738 52.5075 41.9767 177.0125 124 L 4.1698 8.4910 127.4328 57.4426 41.5028 179.3893 125 R 4.0733 8.6204 118.6705 59.0617 29.8549 178.7957 126 G 3.6014 8.1772 105.9867 47.6888 0.0000 175.2406 127 F 4.0541 8.2189 123.3732 60.6418 39.4149 176.2535 128 L 4.0566 8.2476 117.4128 54.8683 41.5992 177.3106 129 G 3.8263 7.8313 106.7831 46.5380 0.0000 174.7163 130 L 4.3745 8.0498 119.3597 54.9511 42.2910 177.0784 131 S 4.5720 7.4996 112.5913 57.0025 65.1493 173.4798 132 E 4.2537 8.8043 126.0182 57.6409 29.8066 177.1550 133 E 4.2866 7.8264 117.5986 57.5994 30.3836 177.2457 134 V 3.7245 7.6067 118.5160 61.7213 32.1189 173.7813 135 P 4.3445 0.0000 0.0000 62.9899 31.8301 176.6715 136 V 3.7424 8.4760 122.4070 65.5611 31.9197 176.5704 137 G 3.9489 7.6531 106.8846 44.4664 0.0000 172.1674 138 Y 4.3595 8.3817 116.5094 58.5756 38.4037 176.7944 139 R 4.1806 9.0457 125.2369 59.3581 30.7274 176.1554 140 E 4.8074 7.8934 116.4291 55.2972 33.0458 173.8420 141 I 4.7911 8.3087 124.9496 59.4805 40.4289 175.0339 142 R 4.6169 9.2350 124.9780 54.2968 33.4067 174.7582 143 V 4.4823 8.0819 122.4184 60.8813 34.7944 174.3477 144 F 4.6920 8.7272 125.7857 55.7020 41.8484 173.9858 145 F 4.9837 8.9557 122.4077 55.9405 41.0758 175.3211 146 S 4.8806 9.1867 119.2585 56.8055 65.5446 173.0576 147 I 4.9179 8.4850 125.1102 59.5415 39.8572 174.5985 148 D 4.7770 9.0188 128.0031 53.5441 41.7860 174.8031 149 A 4.6065 8.0070 125.4299 50.6039 22.0247 175.9636 150 D 4.6558 8.2897 119.6694 53.0684 39.7407 175.7317 151 L 4.9065 7.1252 119.2372 52.2191 46.4805 177.3637 152 T 4.2622 8.8595 112.9840 61.0902 71.0113 175.6500 153 D 4.4466 8.6446 121.0197 57.7017 40.8520 179.4413 154 G 3.6915 8.0592 105.4989 47.8772 0.0000 175.6166 155 Q 4.0256 8.1454 120.3403 58.6400 28.7174 178.8418 156 K 3.9589 8.2674 119.6987 59.5663 32.0189 179.2187 157 E 3.9344 8.6101 119.2560 59.2434 29.0995 178.9405 158 E 3.8664 7.9961 118.5008 59.3619 29.7595 178.5781 159 L 4.0767 7.4973 117.2886 57.8669 41.9245 179.3352 160 I 3.6309 7.6584 119.7892 63.9865 36.9426 178.7189 161 R 3.4954 7.9509 115.6113 57.2458 29.2465 177.6993 *163 A 4.3129 7.7736 120.5913 52.0841 20.5328 179.9093 164 Q 3.3031 7.7182 114.6595 58.7308 28.8818 178.6239 165 K 3.5198 7.6025 117.8082 59.1274 31.9738 176.7786 166 Y 4.6238 6.9418 112.2959 57.7355 38.6515 175.9181 167 S 4.4339 7.8085 116.8556 56.9148 63.2668 172.4203 168 P 4.2940 0.0000 0.0000 65.8535 31.2336 178.8241 169 V 3.5828 7.7375 116.4365 65.9719 31.4708 176.9808 170 Y 4.0303 8.1277 119.3537 61.1536 38.7118 178.2166 171 N 4.4217 8.4900 116.8398 56.2973 38.3946 177.6679 172 T 3.9472 7.7922 116.9169 66.1906 68.5310 176.8356 173 V 3.6578 7.5595 119.3390 66.0298 31.7872 177.9367 174 A 3.9541 7.8279 119.0625 53.0064 18.3103 177.2558 175 K 4.5562 7.0026 115.3017 53.5681 35.1406 173.9724 176 P 4.4205 0.0000 0.0000 62.2543 31.7113 175.7016 177 V 4.3173 8.1521 123.5723 59.7698 33.1156 173.2765 178 P 4.3783 0.0000 0.0000 62.5970 31.8911 175.8601 179 V 4.2113 8.2273 120.2549 61.0260 33.6825 174.1097 180 A 4.5867 8.6219 130.4047 50.4003 20.2850 175.7893 181 V 4.3929 8.3256 122.5843 60.9416 33.6629 174.6447 182 L 4.8575 8.1480 125.7301 52.2913 45.5277 175.9971 183 L 4.0394 8.3233 123.1444 54.8771 42.6225 176.3416 184 D 4.4748 8.5950 125.6904 54.5135 41.7253 175.8400 185 R 4.5012 8.6224 123.6030 55.8713 30.9680 176.5161 186 G 3.7315 8.6761 113.5182 45.6320 0.0000 172.9075 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 5 T 8.03 4.40 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 6 V 8.39 4.61 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 0.79 0.00 0.00 0.93 0.00 0.00 7 V 8.84 4.33 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 1.01 0.00 0.00 0.92 0.00 0.00 8 N 9.77 4.24 0.00 2.88 2.87 0.00 0.00 7.10 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 9 G 8.41 3.87 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 0.00 0.00 0.00 10 V 7.57 4.11 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 0.91 0.00 0.00 0.97 0.00 0.00 11 N 8.51 4.40 0.00 2.79 2.72 0.00 0.00 6.86 7.71 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 12 V 8.12 3.70 2.18 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 0.87 0.00 0.00 0.99 0.00 0.00 13 D 8.05 4.47 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 14 Q 8.51 4.15 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 15 L 7.74 3.97 0.00 1.86 1.78 0.85 0.81 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 *17 A 7.88 4.28 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 18 T 8.25 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 19 I 7.85 3.72 1.85 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 1.49 0.71 0.90 0.00 0.00 20 E 8.09 3.98 0.00 1.98 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 2.39 2.34 0.00 21 Q 8.17 4.04 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 22 I 7.96 3.94 2.02 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 1.58 0.91 0.95 0.00 0.00 23 K 8.02 3.93 0.00 1.91 1.89 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.69 7.81 24 A 7.79 4.30 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 25 K 7.97 4.53 0.00 1.76 1.77 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.34 1.61 7.81 26 P 0.00 4.55 0.00 2.22 2.13 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 27 E 8.27 4.09 0.00 2.20 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 0.00 2.38 2.37 0.00 28 I 7.80 3.70 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 1.53 1.28 0.97 0.00 0.00 29 A 7.87 4.76 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 Q 8.07 4.46 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 31 F 9.13 5.04 0.00 2.81 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.03 4.65 0.00 1.64 1.68 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.40 7.81 33 F 8.94 5.36 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 34 R 8.74 4.80 0.00 1.86 1.85 0.00 3.45 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 35 A 8.29 5.13 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 36 T 8.79 4.81 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 1.25 0.00 0.00 37 N 8.63 5.50 0.00 2.71 2.69 0.00 0.00 6.75 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 38 Q 8.94 4.72 0.00 2.17 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 39 W 8.90 4.72 0.00 3.21 3.21 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 0.00 0.00 0.00 0.00 *41 G 8.34 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 42 G 8.94 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 0.00 0.00 0.00 43 T 8.59 4.34 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 H 8.33 5.61 0.00 3.31 3.45 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.24 5.25 0.00 3.22 3.08 0.00 0.00 5.94 7.06 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 46 Q 9.07 5.01 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 47 A 9.10 5.25 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 48 T 9.12 4.94 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 1.25 0.00 0.00 49 I 8.56 4.47 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 1.07 0.00 0.00 50 K 8.98 4.70 0.00 1.71 1.62 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.47 7.81 51 D 8.19 5.17 0.00 2.72 2.92 0.00 0.00 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0.00 0.00 0.00 0.00 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 E 8.44 4.78 0.00 1.89 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 2.21 2.25 0.00 79 N 8.16 4.19 0.00 2.91 2.87 0.00 0.00 7.02 7.82 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 80 R 9.23 4.16 0.00 1.68 1.61 0.00 3.13 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 81 G 7.99 4.48 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 0.00 82 A 8.05 4.21 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 83 N 8.95 5.74 0.00 3.16 2.99 0.00 0.00 6.89 8.50 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 84 P 0.00 4.30 0.00 2.17 2.13 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 85 V 7.83 3.84 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 0.64 0.00 0.00 0.90 0.00 0.00 86 E 9.13 4.04 0.00 2.17 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 2.35 2.49 0.00 87 Y 8.37 3.93 0.00 3.16 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 88 L 8.10 3.98 0.00 1.88 2.02 0.95 0.84 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 89 L 7.76 3.83 0.00 1.73 1.54 0.98 0.58 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 90 V 7.77 3.32 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 0.86 0.00 0.00 0.75 0.00 0.00 91 A 8.02 3.89 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 92 L 7.96 3.93 0.00 1.75 1.74 1.05 0.90 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 93 S 7.45 4.48 0.00 3.44 2.76 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 94 G 8.06 3.56 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 0.00 0.00 0.00 95 C 8.14 4.10 0.00 3.12 2.96 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 96 L 8.27 4.06 0.00 2.16 1.99 1.26 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.13 4.05 4.39 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 0.00 0.00 0.00 1.33 0.00 0.00 98 T 8.17 3.89 4.31 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 1.18 0.00 0.00 99 S 8.45 4.13 0.00 3.95 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 0.00 100 L 8.09 3.88 0.00 1.62 1.66 0.19 1.08 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 0.00 101 V 7.89 3.54 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 1.04 0.00 0.00 1.00 0.00 0.00 102 A 8.36 3.93 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 0.00 103 H 8.35 4.05 0.00 3.39 3.36 0.00 5.82 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 0.00 104 A 8.20 3.97 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 0.00 105 A 8.23 3.88 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 0.00 106 A 7.88 3.92 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 0.00 107 R 7.40 4.37 0.00 1.94 1.96 0.00 3.24 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 108 G 8.05 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 0.00 0.00 0.00 109 I 7.80 4.12 1.96 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 1.22 0.77 0.90 0.00 0.00 110 A 8.38 4.47 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 119 E 9.28 4.96 0.00 2.04 1.76 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 2.25 2.31 0.00 120 G 8.82 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 0.00 121 D 8.73 5.41 0.00 2.72 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 0.00 122 I 8.17 4.84 1.75 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.29 0.80 0.00 0.00 123 D 8.58 4.76 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.49 4.17 0.00 1.75 1.76 0.90 0.87 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 0.00 125 R 8.62 4.07 0.00 1.98 2.00 0.00 3.14 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 126 G 8.18 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 0.00 0.00 0.00 127 F 8.22 4.05 0.00 2.96 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 0.00 128 L 8.25 4.06 0.00 1.78 1.72 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.83 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 0.00 130 L 8.05 4.37 0.00 1.64 1.72 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.50 4.57 0.00 3.77 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 0.00 132 E 8.80 4.25 0.00 1.99 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 2.29 2.26 0.00 133 E 7.83 4.29 0.00 1.99 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 2.29 2.38 0.00 134 V 7.61 3.72 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 0.87 0.00 0.00 0.94 0.00 0.00 135 P 0.00 4.34 0.00 2.10 2.00 0.00 3.74 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 2.05 2.10 0.00 136 V 8.48 3.74 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 0.82 0.00 0.00 0.93 0.00 0.00 137 G 7.65 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 0.00 0.00 0.00 138 Y 8.38 4.36 0.00 2.99 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 0.00 139 R 9.05 4.18 0.00 1.86 2.14 0.00 3.32 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 140 E 7.89 4.81 0.00 2.05 1.73 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 2.24 2.29 0.00 141 I 8.31 4.79 1.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.39 0.88 0.00 0.00 142 R 9.24 4.62 0.00 1.70 1.77 0.00 3.14 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 143 V 8.08 4.48 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 0.22 0.00 0.00 0.88 0.00 0.00 144 F 8.73 4.69 0.00 2.86 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 0.00 145 F 8.96 4.98 0.00 2.93 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 0.00 146 S 9.19 4.88 0.00 3.75 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 0.00 147 I 8.48 4.92 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 1.30 0.73 0.92 0.00 0.00 148 D 9.02 4.78 0.00 2.80 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 0.00 149 A 8.01 4.61 1.18 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 0.00 0.00 0.00 150 D 8.29 4.66 0.00 2.63 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 0.00 151 L 7.13 4.91 0.00 1.61 1.48 0.91 1.01 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 0.00 152 T 8.86 4.26 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 0.00 153 D 8.64 4.45 0.00 2.71 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 0.00 154 G 8.06 3.69 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 0.00 155 Q 8.15 4.03 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 156 K 8.27 3.96 0.00 1.95 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.64 7.81 157 E 8.61 3.93 0.00 2.08 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 2.31 2.44 0.00 158 E 8.00 3.87 0.00 1.92 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 0.00 2.31 2.38 0.00 159 L 7.50 4.08 0.00 1.75 1.62 0.88 0.64 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 0.00 160 I 7.66 3.63 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 1.04 0.46 0.77 0.00 0.00 161 R 7.95 3.50 0.00 1.85 1.95 0.00 3.04 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 *163 A 7.77 4.31 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 0.00 164 Q 7.72 3.30 0.00 1.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.69 0.00 0.00 0.00 0.00 0.00 1.73 2.10 0.00 165 K 7.60 3.52 0.00 1.38 1.16 0.00 1.42 0.00 0.00 1.00 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.95 7.81 166 Y 6.94 4.62 0.00 2.87 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 0.00 167 S 7.81 4.43 0.00 3.98 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 0.00 168 P 0.00 4.29 0.00 2.18 2.11 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 169 V 7.74 3.58 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 1.06 0.00 0.00 0.90 0.00 0.00 170 Y 8.13 4.03 0.00 3.08 3.10 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 0.00 0.00 0.00 0.00 171 N 8.49 4.42 0.00 2.96 2.90 0.00 0.00 7.10 6.50 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 0.00 172 T 7.79 3.95 4.36 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 1.22 0.00 0.00 173 V 7.56 3.66 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 0.71 0.00 0.00 0.91 0.00 0.00 174 A 7.83 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.00 4.56 0.00 1.90 1.69 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.30 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.31 7.81 176 P 0.00 4.42 0.00 2.18 2.07 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 177 V 8.15 4.32 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 0.90 0.00 0.00 0.94 0.00 0.00 178 P 0.00 4.38 0.00 2.23 2.05 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 179 V 8.23 4.21 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 0.85 0.00 0.00 0.98 0.00 0.00 180 A 8.62 4.59 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 0.00 181 V 8.33 4.39 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 0.87 0.00 0.00 0.93 0.00 0.00 182 L 8.15 4.86 0.00 1.61 1.49 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.32 4.04 0.00 1.57 1.57 0.91 1.18 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 0.00 184 D 8.59 4.47 0.00 2.68 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 0.00 185 R 8.62 4.50 0.00 2.08 1.92 0.00 3.31 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 186 G 8.68 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 * Residues marked with a * may have inaccurate shift predictions.