NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3362 8.3049 120.2968 55.1817 33.5694 173.2089 2 K 4.4018 8.3298 118.6027 53.0439 35.8762 172.2485 3 E 4.1745 9.3362 121.0385 58.6309 30.3469 176.5601 4 N 4.4530 8.6979 121.6155 53.5318 37.3743 173.9609 5 D 4.8011 7.7825 118.8758 53.2661 42.7568 175.8277 6 L 4.7026 8.3385 121.9837 54.2090 42.4690 177.0955 7 I 3.9341 8.5651 117.4588 59.9997 38.4133 174.3017 8 P 4.1929 0.0000 0.0000 62.9605 31.6284 176.1070 9 N 4.7755 8.4221 120.7453 52.2035 39.3091 173.6765 10 V 4.6947 8.7476 118.5285 59.1310 36.9947 174.6412 11 K 4.8241 8.5941 121.1792 56.3668 32.9222 177.0268 12 V 4.6251 8.6913 116.7198 59.9688 36.8747 173.6407 13 M 5.1764 8.9621 121.8340 53.8974 34.7580 174.5623 14 I 4.7105 8.4931 117.8033 59.1307 42.2653 173.5531 15 D 5.0401 8.0936 121.4865 52.6785 42.2629 176.3461 16 V 3.5313 8.5499 127.0786 66.4278 31.2362 178.0377 17 R 3.8931 7.9509 115.6004 59.1411 30.1081 178.1172 18 N 4.3259 8.2464 116.6764 57.0519 38.7578 176.9598 19 M 4.0157 8.0704 118.7245 57.2025 32.0674 177.1800 20 N 4.9672 7.8047 118.2404 53.8183 40.8084 174.7793 21 N 4.0253 7.6268 113.2721 53.1716 35.7762 176.6873 *30 N 4.1876 7.9165 114.6016 53.6669 40.1120 174.8364 31 D 4.7073 7.7765 122.0819 52.1738 41.6399 173.3321 32 F 5.5449 7.9591 120.2685 56.2739 41.1654 174.7650 33 T 4.7009 8.5713 115.7124 60.7979 71.0249 172.9792 34 S 4.8744 8.6683 121.9381 58.6793 63.7519 172.8516 35 I 4.3431 8.1207 121.4520 60.1631 42.0042 173.4567 36 D 5.0267 8.6253 128.8662 54.2080 41.6726 177.6823 37 T 4.1504 8.8580 114.5842 65.4816 68.2707 176.6956 38 H 5.2770 8.7126 120.1414 57.8534 28.3996 177.3366 39 E 4.0774 8.0780 120.3889 58.9494 29.7896 177.7629 40 L 4.0993 8.0554 119.3700 57.5989 42.0378 178.0122 41 F 4.6281 8.8720 115.8484 56.1348 39.4405 175.2608 42 N 4.4817 7.4271 118.0373 55.2251 39.1194 173.9594 43 N 5.0111 8.8432 121.1068 53.1037 36.6942 173.8625 44 K 4.8587 7.7024 113.1569 54.6394 37.4314 175.8870 45 K 4.8096 9.7203 124.5951 55.2026 33.6438 174.9096 46 I 4.9529 9.1918 129.2265 59.4048 40.7514 174.9299 47 L 5.0066 8.4864 128.3091 53.7152 43.2160 174.6357 48 L 5.1216 9.0863 130.3740 53.8044 44.0625 175.0063 49 I 4.5525 8.9179 127.9924 59.7028 39.5458 174.4169 50 S 4.9540 8.4803 123.3515 56.5693 63.6538 172.8618 51 L 4.9426 8.1539 126.1037 52.2396 44.4745 175.2413 52 P 4.4716 0.0000 0.0000 64.4479 31.6121 177.5090 53 G 3.8098 7.3292 103.3946 44.4614 0.0000 172.5529 54 A 2.0000 8.4903 126.8404 52.3768 18.6984 178.0149 55 F 3.6889 5.4600 117.3637 57.8602 36.8878 175.7161 56 T 4.2206 6.8575 110.8247 60.1213 69.5461 172.7175 57 P 4.2503 0.0000 0.0000 66.8535 31.7992 179.6159 58 T 4.0060 7.6670 109.9127 64.6221 67.9297 176.3330 *60 S 4.5273 8.0651 119.9400 58.1598 64.6548 174.7386 61 T 4.4321 8.0838 107.7341 61.3587 69.5964 174.0774 62 K 4.3177 7.3348 119.2974 57.4319 34.4967 177.2717 63 M 3.8521 7.4234 116.6507 59.9161 31.8713 178.6456 64 I 3.6392 7.4301 118.0775 64.0445 37.7200 176.7057 65 P 4.2058 0.0000 0.0000 65.3636 30.8898 178.9269 66 G 3.5107 8.0907 103.9995 48.1453 0.0000 175.1936 67 Y 4.0949 8.0116 119.3095 60.2454 37.9573 177.8310 68 E 4.0954 8.5338 120.8595 59.3793 29.5332 178.5749 69 E 4.0649 8.0738 118.0224 58.4825 29.7470 177.5751 70 E 4.6462 7.6974 117.1339 56.1921 29.8616 176.7853 71 Y 4.2908 7.8795 122.4379 61.4365 38.6892 178.3611 72 D 4.4330 8.4067 118.9069 57.5358 40.6728 177.7553 73 Y 4.0240 7.9254 120.0973 60.7360 38.5295 178.5368 74 F 3.9674 8.0722 117.7891 60.3243 38.9746 177.8910 75 I 4.5100 7.5029 120.5168 63.9646 36.7203 178.6045 76 K 3.8681 7.8795 117.6863 59.4641 32.3111 178.6835 77 E 4.0295 8.0145 116.8955 58.5683 29.6530 177.6285 78 N 4.7548 7.4745 113.2673 52.3359 39.1601 174.1291 79 N 4.2975 7.7638 113.2104 54.1278 36.9738 174.5832 80 F 4.1610 8.4466 117.4035 57.6104 39.5636 176.2830 81 D 4.4942 8.8757 124.3417 56.9158 41.6292 175.6053 82 D 4.3641 7.2142 116.0585 54.0108 45.0622 174.6019 83 I 4.7406 7.9579 120.7288 59.6094 40.3027 174.3607 84 Y 5.4979 8.7002 124.8334 56.3518 41.0232 174.1922 85 C 5.2262 9.3402 124.2078 57.6846 34.3063 172.1815 86 I 5.3228 9.2614 126.3490 58.5411 41.0338 174.1041 87 T 5.1100 8.3053 117.4138 60.2933 72.7936 173.1243 88 N 5.1681 8.5011 116.0773 52.8328 37.6312 175.0426 89 N 4.6355 7.7981 116.3523 53.2861 39.6832 175.2358 90 D 4.7495 8.2149 121.3278 52.2531 41.9892 177.2139 91 I 3.4371 7.9983 119.3850 64.0874 37.8330 177.6884 92 Y 3.9996 7.8200 117.4417 60.9764 37.7675 178.1847 93 V 3.7989 8.4812 119.3945 65.8949 31.5406 178.1080 94 L 4.0228 7.7614 118.4157 57.5929 41.4757 179.3076 95 K 3.1427 7.6734 119.4721 59.4328 32.1655 178.7714 96 S 4.2289 8.0883 113.1732 61.0089 62.4383 175.9474 97 W 3.7030 8.5507 131.3543 60.4739 30.3778 178.0987 98 F 3.4745 8.5352 118.0152 60.0480 38.2397 177.6646 99 K 3.9775 8.1392 119.7618 59.4509 31.8350 179.1198 100 S 4.2347 8.0856 113.4034 61.0754 62.9856 175.4017 101 M 4.0618 7.3428 119.4486 53.9945 32.4507 175.1156 102 D 4.3216 7.7127 117.6071 55.1136 40.2458 173.6487 103 I 4.0159 7.5564 117.9956 60.6557 37.9096 176.5617 104 K 4.6051 8.9138 119.9487 56.0279 34.2626 177.0836 105 K 3.9722 8.1071 117.2259 57.8414 33.3982 176.8771 106 I 4.2006 7.4378 118.1732 61.5181 37.6805 175.9360 107 K 4.5727 9.0666 125.8689 55.0572 34.4575 174.8824 108 Y 4.9963 7.0922 120.8352 55.1783 40.1775 175.0087 109 I 4.3257 8.9350 122.9078 59.5048 40.2617 174.4499 110 S 4.5725 9.0265 122.8483 56.3200 63.3653 174.3075 111 D 4.7414 8.5502 133.3627 52.7856 40.4404 177.8128 112 G 3.9996 7.9959 109.5318 48.6912 0.0000 173.4021 113 N 4.6304 8.1812 114.5563 52.5655 39.2564 175.9480 114 S 4.2336 8.7298 114.1969 59.6965 61.5584 173.5660 115 S 4.1568 7.8018 118.4520 61.7377 62.5689 176.4476 116 F 4.0480 8.8647 123.1633 61.7462 39.2024 177.1751 117 T 4.0312 9.0254 115.8121 66.8849 68.2791 176.1305 118 D 4.3343 8.3172 119.8508 57.4292 41.0428 178.4610 119 S 4.1672 7.8713 114.7404 61.1565 62.8833 175.5904 120 M 4.0413 7.4486 119.0511 54.6719 32.0557 175.7441 121 N 4.2828 7.8902 115.5520 55.1314 36.7037 174.4350 122 M 4.7585 8.2531 114.5840 55.0002 34.1131 175.0700 123 L 4.8983 8.0219 122.0066 54.2888 42.9793 176.1056 124 V 4.7079 9.1805 119.8474 59.3105 35.6670 174.6114 125 D 4.8035 8.9402 122.8211 53.7186 42.7239 176.5692 126 K 5.0319 8.9471 125.3751 56.2645 33.7993 178.8930 127 S 3.9869 8.4353 118.0053 61.2242 62.6335 176.6337 128 N 4.1679 7.9053 117.6193 54.5999 37.0746 176.2333 129 F 5.2648 7.7855 116.3080 56.5230 39.9127 175.2181 130 F 3.6272 7.6693 117.8321 59.5808 36.4795 175.6194 131 M 4.7180 7.7700 115.2838 53.8473 34.8019 178.6320 132 G 3.7340 7.8507 107.7744 46.3628 0.0000 172.3128 133 M 4.8022 8.5537 121.6732 55.3029 32.9698 176.2790 134 R 4.8575 9.4368 121.3701 53.7645 35.6146 172.8157 135 P 5.0053 0.0000 0.0000 62.3794 32.5992 175.9880 136 W 4.7349 9.1312 133.7706 57.1512 32.1584 175.6301 137 R 4.5933 7.5871 125.8333 55.4541 30.6163 175.0457 138 F 5.5034 8.0327 119.7939 56.0738 41.6013 172.8698 139 V 5.1018 9.4054 119.2204 61.2663 34.5396 174.1639 140 A 5.4613 9.5298 128.4870 50.4251 23.2263 174.5800 141 I 5.0079 9.0234 121.5081 59.9426 39.3470 175.0762 142 V 4.8775 9.3003 127.9858 61.1980 34.3287 173.9426 143 E 4.9745 8.8668 127.9979 54.7870 32.3821 176.3477 144 N 4.2272 9.7475 123.5937 54.6482 36.9296 175.5908 145 N 4.3153 8.3989 111.7833 53.6012 36.7333 173.8036 146 I 4.6564 7.4070 120.4019 59.2161 38.9310 174.5225 147 L 4.1372 8.6212 128.0194 55.3170 41.9427 177.2704 148 V 3.8526 8.8655 128.3116 65.0950 32.5191 176.4497 149 K 4.4609 7.8407 120.2751 55.0662 35.7141 174.1279 150 M 4.8403 8.2988 126.5053 53.8244 34.6373 175.1068 151 F 4.8789 9.5662 125.5511 55.5328 40.6101 173.4845 152 Q 5.2628 8.4349 120.6159 53.8694 30.9423 175.6173 153 E 4.3654 8.7808 120.9466 56.5305 30.1806 177.4136 154 K 4.2686 8.8727 121.7615 57.4222 33.1615 176.1716 155 D 4.2938 8.6639 117.5039 54.8576 37.9333 174.9314 156 K 2.0000 7.4989 119.0567 56.1342 32.5838 175.1830 157 Q 4.2870 7.0190 121.8869 55.4713 30.9381 173.0846 158 H 4.4688 8.4749 116.0081 56.7693 29.6776 175.4343 159 N 4.3394 9.1064 120.1510 53.1073 36.5042 174.7413 160 I 3.9612 7.6623 115.9874 61.1777 39.0983 174.9703 161 Q 4.2927 8.6364 125.8361 57.0018 29.5404 175.5624 162 T 4.5878 7.7776 107.2341 60.6815 71.0742 174.4085 163 D 4.7458 8.0828 118.8727 51.3003 40.8851 172.0736 164 P 4.3181 0.0000 0.0000 62.8763 32.0075 176.8826 165 Y 4.9282 8.3487 122.6865 56.3037 39.4942 173.3364 166 D 4.5736 8.9521 124.2072 55.3664 47.3800 177.6618 167 I 3.7849 8.1020 119.6203 64.1237 37.3232 177.2066 168 S 4.6667 8.5345 112.6530 58.3602 63.5837 175.0604 169 T 3.7965 7.1185 114.6303 61.1339 70.2245 175.0995 170 V 3.2246 7.9636 123.3818 65.6491 31.4555 178.1928 171 N 4.2029 7.8658 115.5405 56.2029 38.3245 176.7925 172 N 4.3158 7.8120 118.5160 56.5892 39.2038 177.2324 173 V 3.0725 7.5966 119.6208 65.6644 31.5895 178.1600 174 K 4.0709 8.4076 118.6554 59.5549 31.7784 179.0450 175 E 3.9961 8.1482 118.7834 59.3772 28.8428 179.1803 176 F 4.2407 8.2413 120.2229 61.5162 39.3238 177.2137 177 L 4.1517 8.1298 119.3291 58.3117 41.5129 179.8878 178 K 4.3696 8.3900 124.9392 58.9174 31.8050 180.8199 179 N 5.1781 8.0122 119.2499 54.1443 38.3222 179.4179 180 N 4.0404 7.3471 123.1909 54.1701 39.8870 178.0222 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 M 8.30 4.34 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 2 K 8.33 4.40 0.00 1.83 1.62 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.36 7.81 3 E 9.34 4.17 0.00 1.87 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 2.28 2.35 0.00 4 N 8.70 4.45 0.00 2.94 2.97 0.00 0.00 7.02 8.20 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 5 D 7.78 4.80 0.00 2.72 2.52 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 0.00 6 L 8.34 4.70 0.00 1.54 1.61 0.94 0.81 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 7 I 8.57 3.93 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.91 0.00 0.00 8 P 0.00 4.19 0.00 1.88 1.91 0.00 3.16 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.87 0.00 9 N 8.42 4.78 0.00 1.99 2.58 0.00 0.00 6.80 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 10 V 8.75 4.69 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 0.72 0.00 0.00 1.14 0.00 0.00 11 K 8.59 4.82 0.00 1.67 1.76 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.75 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 V 8.69 4.63 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 0.69 0.00 0.00 0.94 0.00 0.00 13 M 8.96 5.18 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.21 0.00 14 I 8.49 4.71 1.64 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.59 0.68 0.00 0.00 15 D 8.09 5.04 0.00 2.92 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 0.00 0.00 0.00 0.00 16 V 8.55 3.53 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 0.97 0.00 0.00 0.97 0.00 0.00 17 R 7.95 3.89 0.00 1.96 1.96 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 18 N 8.25 4.33 0.00 2.55 2.58 0.00 0.00 7.25 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 19 M 8.07 4.02 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 20 N 7.80 4.97 0.00 2.66 2.79 0.00 0.00 7.04 7.97 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 21 N 7.63 4.03 0.00 2.79 2.70 0.00 0.00 6.84 8.41 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 *30 N 7.92 4.19 0.00 2.35 1.62 0.00 0.00 6.88 8.06 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 31 D 7.78 4.71 0.00 2.66 2.41 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 32 F 7.96 5.54 0.00 2.90 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.57 4.70 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 1.21 0.00 0.00 34 S 8.67 4.87 0.00 3.94 3.75 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 35 I 8.12 4.34 1.86 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 1.25 0.95 0.87 0.00 0.00 36 D 8.63 5.03 0.00 2.83 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 37 T 8.86 4.15 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 1.36 0.00 0.00 38 H 8.71 5.28 0.00 3.41 3.45 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.08 4.08 0.00 2.02 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 0.00 2.32 2.40 0.00 40 L 8.06 4.10 0.00 1.69 2.02 0.65 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.87 4.63 0.00 3.50 3.16 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 0.00 0.00 0.00 42 N 7.43 4.48 0.00 3.07 2.91 0.00 0.00 7.24 7.67 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 43 N 8.84 5.01 0.00 2.89 2.87 0.00 0.00 7.04 7.61 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 44 K 7.70 4.86 0.00 1.83 1.58 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.54 7.81 45 K 9.72 4.81 0.00 1.62 1.48 0.00 1.23 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.57 1.08 7.81 46 I 9.19 4.95 2.07 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.41 0.63 0.00 0.00 47 L 8.49 5.01 0.00 1.00 1.12 0.74 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 48 L 9.09 5.12 0.00 2.12 1.79 1.24 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.92 4.55 1.75 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.11 0.73 0.00 0.00 50 S 8.48 4.95 0.00 2.72 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 51 L 8.15 4.94 0.00 1.60 1.50 1.13 0.78 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 52 P 0.00 4.47 0.00 1.97 2.10 0.00 3.70 0.00 0.00 4.20 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 53 G 7.33 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 0.00 0.00 0.00 54 A 8.49 2.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 5.46 3.69 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 6.86 4.22 4.13 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 66 G 8.09 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.09 0.00 3.11 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 68 E 8.53 4.10 0.00 2.07 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 2.20 2.31 0.00 69 E 8.07 4.06 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 70 E 7.70 4.65 0.00 2.19 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 0.00 2.33 2.33 0.00 71 Y 7.88 4.29 0.00 3.32 3.08 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 72 D 8.41 4.43 0.00 2.87 2.78 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 73 Y 7.93 4.02 0.00 2.89 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 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0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.67 7.81 108 Y 7.09 5.00 0.00 2.50 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.94 4.33 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 0.72 1.21 0.79 0.00 0.00 110 S 9.03 4.57 0.00 3.80 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 D 8.55 4.74 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.00 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 0.00 0.00 0.00 113 N 8.18 4.63 0.00 2.80 2.87 0.00 0.00 7.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.73 4.23 0.00 4.05 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 0.00 115 S 7.80 4.16 0.00 4.03 3.97 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 0.00 124 V 9.18 4.71 2.32 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 0.64 0.00 0.00 1.29 0.00 0.00 125 D 8.94 4.80 0.00 2.75 2.54 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 0.00 0.00 0.00 126 K 8.95 5.03 0.00 2.01 1.89 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.51 7.81 127 S 8.44 3.99 0.00 3.86 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 0.00 128 N 7.91 4.17 0.00 2.45 2.80 0.00 0.00 6.62 8.00 0.00 0.00 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 F 7.79 5.26 0.00 3.22 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 0.00 130 F 7.67 3.63 0.00 3.23 3.18 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 0.00 131 M 7.77 4.72 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.56 0.00 132 G 7.85 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 0.00 133 M 8.55 4.80 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.52 0.00 134 R 9.44 4.86 0.00 1.70 1.91 0.00 3.58 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 135 P 0.00 5.01 0.00 2.26 2.07 0.00 3.63 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 2.23 2.17 0.00 136 W 9.13 4.73 0.00 3.53 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 0.00 137 R 7.59 4.59 0.00 1.62 1.32 0.00 3.44 0.00 0.00 3.49 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.37 0.00 138 F 8.03 5.50 0.00 3.39 3.32 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 0.00 139 V 9.41 5.10 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 0.96 0.00 0.00 0.83 0.00 0.00 140 A 9.53 5.46 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 0.00 141 I 9.02 5.01 2.09 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.20 1.11 0.00 0.00 142 V 9.30 4.88 2.37 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 1.05 0.00 0.00 1.07 0.00 0.00 143 E 8.87 4.97 0.00 1.95 1.81 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 2.13 2.22 0.00 144 N 9.75 4.23 0.00 2.91 2.88 0.00 0.00 6.63 6.46 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 0.00 145 N 8.40 4.32 0.00 2.86 2.79 0.00 0.00 6.88 7.44 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 0.00 146 I 7.41 4.66 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 1.17 0.82 0.91 0.00 0.00 147 L 8.62 4.14 0.00 1.74 1.67 0.97 0.65 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 0.00 148 V 8.87 3.85 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 0.83 0.00 0.00 1.08 0.00 0.00 149 K 7.84 4.46 0.00 1.83 1.59 0.00 1.08 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 0.35 7.81 150 M 8.30 4.84 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 151 F 9.57 4.88 0.00 3.22 3.15 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 0.00 152 Q 8.43 5.26 0.00 2.47 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 153 E 8.78 4.37 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 154 K 8.87 4.27 0.00 1.88 1.84 0.00 1.97 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.57 7.81 155 D 8.66 4.29 0.00 2.95 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 0.00 156 K 7.50 2.00 0.00 0.79 1.09 0.00 1.55 0.00 0.00 1.31 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.72 0.21 7.81 157 Q 7.02 4.29 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 158 H 8.47 4.47 0.00 3.14 3.23 0.00 5.87 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 0.00 159 N 9.11 4.34 0.00 2.75 2.74 0.00 0.00 6.91 8.05 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 0.00 160 I 7.66 3.96 2.10 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.88 1.29 0.00 0.00 161 Q 8.64 4.29 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 162 T 7.78 4.59 4.33 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 1.30 0.00 0.00 163 D 8.08 4.75 0.00 2.53 2.54 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 0.00 0.00 0.00 164 P 0.00 4.32 0.00 2.42 2.14 0.00 3.72 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 1.77 2.04 0.00 165 Y 8.35 4.93 0.00 2.91 2.85 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 0.00 0.00 0.00 166 D 8.95 4.57 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 0.00 167 I 8.10 3.78 2.06 0.00 0.00 0.94 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 1.15 1.14 0.00 0.00 168 S 8.53 4.67 0.00 4.14 4.13 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 0.00 169 T 7.12 3.80 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 0.11 0.00 0.00 170 V 7.96 3.22 1.77 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 1.07 0.00 0.00 -0.24 0.00 0.00 171 N 7.87 4.20 0.00 2.66 2.77 0.00 0.00 6.76 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 0.00 172 N 7.81 4.32 0.00 2.77 2.96 0.00 0.00 6.83 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 0.00 173 V 7.60 3.07 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 1.01 0.00 0.00 0.43 0.00 0.00 174 K 8.41 4.07 0.00 1.78 1.49 0.00 1.27 0.00 0.00 1.30 0.00 0.00 2.17 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.84 1.58 7.81 175 E 8.15 4.00 0.00 2.24 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 2.54 2.48 0.00 176 F 8.24 4.24 0.00 3.47 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 L 8.13 4.15 0.00 2.08 1.84 1.20 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.39 4.37 0.00 1.87 1.72 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.32 7.81 179 N 8.01 5.18 0.00 2.77 2.68 0.00 0.00 6.78 8.01 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 0.00 180 N 7.35 4.04 0.00 2.76 2.57 0.00 0.00 6.74 7.44 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 * Residues marked with a * may have inaccurate shift predictions.