NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3024 8.4449 121.4702 55.9352 30.5870 174.7627 3 K 4.5504 8.3040 124.3834 52.3753 36.0771 174.2022 4 K 4.3701 8.4606 119.7158 56.4464 34.7701 175.6614 5 I 4.6126 7.7195 119.2833 59.5383 41.3372 173.3181 6 C 4.3958 8.0327 128.1295 57.7052 33.6842 171.9835 7 Y 4.6027 8.0869 124.1226 55.9980 38.8228 175.5116 8 F 4.5594 8.1697 124.5989 57.2534 39.5268 176.5716 9 E 4.0421 9.3823 122.0980 59.0270 29.5001 177.1547 10 E 4.7695 7.8144 115.7316 53.6844 33.5366 173.1668 11 P 4.5046 0.0000 0.0000 62.1865 32.6987 173.9877 12 G 3.7289 8.8424 104.6704 44.0947 0.0000 174.6912 13 K 4.0158 8.9100 118.8958 59.0901 32.4926 178.7268 14 E 3.8617 8.3084 118.6287 59.6181 29.4716 178.0290 15 N 4.0941 7.5739 113.4249 54.3952 38.3612 177.0172 16 T 3.8943 8.1934 118.6322 66.8433 68.5168 175.8986 17 E 3.9068 8.0225 119.5209 59.3717 29.5551 178.8698 18 R 3.9172 8.0287 118.1420 59.7326 30.1039 178.1220 19 V 3.7571 7.6429 117.8300 66.4663 31.3502 178.0399 20 L 4.1179 7.8321 118.0814 57.3529 41.2554 179.1071 21 E 3.9815 8.1337 119.8536 59.1939 29.6243 178.7392 22 L 4.0680 8.3892 119.3553 57.3783 41.6003 179.4820 23 V 3.7958 7.9439 118.7692 65.8170 31.4352 178.2157 24 G 3.6386 7.9369 105.2524 48.3581 0.0000 174.8990 25 E 3.9436 7.9839 121.9166 58.8657 29.4911 179.1902 26 R 3.9474 8.3911 117.7871 59.7724 30.2704 178.2668 27 A 3.9720 8.1962 120.3053 55.6291 18.1521 179.2148 28 D 4.3478 8.0611 114.7152 57.4315 41.4271 177.9063 29 Q 4.1125 8.6995 119.6911 58.1367 29.0505 177.1009 30 L 4.7097 7.7536 117.1507 53.2078 43.7995 176.4901 31 G 3.7461 8.5105 106.7444 46.4328 0.0000 173.4615 32 I 4.0459 7.7683 120.8052 60.1913 37.9422 175.9293 33 R 4.7452 8.4680 121.1075 55.7798 31.2667 174.5664 34 N 5.2754 7.6790 117.1711 51.9686 41.7882 173.2158 35 F 5.2638 9.7694 122.8248 55.5173 43.0018 174.4144 36 V 4.7718 8.8220 123.0970 61.3677 33.7058 174.2902 37 V 4.8843 8.9998 128.3969 61.0832 34.6326 174.4081 38 A 4.9806 8.3345 127.8724 50.5037 20.0509 176.5818 39 S 4.4921 8.9761 117.3589 57.6360 65.0822 174.9750 40 V 4.3722 8.9294 126.5676 62.8733 32.3188 177.4378 41 S 4.2578 7.9607 113.9951 59.6939 63.7333 174.8020 42 G 4.4559 8.5454 107.1373 44.6337 0.0000 174.8033 43 E 3.9365 8.3849 120.6254 59.2001 29.4571 178.6699 44 T 4.0922 7.7367 114.6540 65.9318 69.1809 176.6311 45 A 4.0122 7.9369 122.0998 55.1934 18.0739 179.0105 46 L 3.9207 7.5682 119.3703 57.8245 42.3583 179.0704 47 R 3.9646 7.5864 117.9114 58.9242 30.3038 178.2010 48 L 4.1779 7.6422 119.8043 57.2592 41.9648 178.4112 49 S 4.2727 8.2761 114.0527 59.7439 63.0159 174.4428 50 E 4.2331 7.4002 120.0502 55.7953 29.6140 175.8260 *52 V 3.8544 7.4590 110.6162 62.4732 33.0019 174.8150 53 E 4.8146 8.9246 119.0523 54.9342 34.4911 175.3470 54 G 4.0906 7.5443 111.2005 44.5556 0.0000 176.4677 55 N 4.8571 9.1687 133.1649 51.6317 41.0057 171.5284 56 I 4.8521 8.3090 128.0470 59.7734 39.4058 174.9137 57 V 4.6301 8.9778 128.9666 61.3705 33.2526 174.2950 58 S 5.1381 9.5166 123.9091 56.6447 64.4926 172.5791 59 V 4.9602 8.8330 127.8265 61.6450 33.6299 174.4491 60 T 5.2634 8.6409 121.4040 58.9866 71.0521 172.5058 61 H 4.7569 8.6365 120.7548 55.8932 29.2993 175.5659 62 H 4.4360 9.0976 115.4581 54.8455 29.2145 175.1018 63 A 3.7293 8.6739 123.3363 53.9638 18.2698 176.7741 64 G 4.0054 8.0353 112.8805 46.6018 0.0000 172.1308 65 F 4.5292 8.4876 125.5581 58.7999 42.0011 176.1999 66 R 4.2459 8.3258 118.8073 57.7277 30.6268 175.9275 67 E 4.5007 7.8330 118.3928 54.2175 32.1947 174.5510 68 K 3.8324 8.5050 123.4708 57.6637 32.6181 174.9836 69 G 4.0956 8.3728 114.7865 44.2581 0.0000 172.7836 70 Q 4.4522 7.4884 114.8824 53.5174 30.7960 174.8992 71 L 4.3874 8.2085 123.2311 54.2862 42.9555 177.0020 72 E 4.2534 8.8805 123.6244 57.4660 29.5050 176.1881 73 L 4.6871 7.4681 121.8399 53.0499 44.2107 175.2024 74 E 4.5895 8.3959 124.8302 54.9915 30.9380 176.6766 75 D 4.4824 8.6458 121.6208 56.0645 41.0268 178.4653 76 E 3.9783 8.0672 120.9601 58.6977 29.7749 177.6829 77 A 4.4251 8.3738 120.3757 53.5008 19.4486 178.6331 78 R 4.0225 7.9946 115.9884 58.4617 30.0585 177.1841 79 D 4.4961 7.5280 117.1933 56.1815 42.4569 177.8599 80 A 4.1547 7.4985 118.6507 54.0447 18.7075 178.4171 81 L 4.5226 7.8067 116.7874 55.7257 43.2553 178.4711 82 L 4.3177 7.2861 117.1667 56.6517 41.6488 178.5363 83 E 4.1952 8.1323 120.0791 58.8195 29.5821 177.9476 84 R 4.1482 7.6140 113.4284 56.7128 29.9034 177.4403 85 G 3.9117 7.8834 106.7217 45.1565 0.0000 174.0571 86 V 3.9758 7.3582 120.2264 62.6313 32.1159 175.5892 87 N 4.6908 9.3327 126.3348 53.1497 39.9005 174.1146 88 V 4.8380 8.4009 122.3022 61.3025 34.0424 173.9752 89 Y 4.8931 9.7997 128.7489 55.7520 42.3257 173.5649 90 A 4.7665 7.7617 127.0686 50.3307 21.7646 175.4334 91 G 3.8404 8.1483 110.2352 44.9017 0.0000 171.6470 92 S 4.4616 8.5739 114.5061 57.1850 64.1677 173.5355 93 H 4.0147 9.1491 121.6150 56.4274 28.6969 175.8994 94 A 4.2187 8.7593 127.0465 53.9959 18.5298 177.5455 95 L 4.7472 8.1765 115.3740 54.4270 41.4810 177.3462 96 S 4.4538 7.1304 113.2369 56.0879 67.7724 178.9251 97 G 3.7915 8.3614 109.9000 46.8776 0.0000 175.5371 98 V 3.8341 8.4618 117.6435 65.7064 31.6402 178.5133 99 G 3.8509 8.2542 105.1660 48.0681 0.0000 175.3025 100 R 4.2353 6.9491 119.8931 58.7288 30.3781 178.5415 101 G 3.7666 8.6817 105.8941 48.3298 0.0000 174.9699 102 I 3.8557 7.9938 121.7039 64.7093 36.8510 178.0392 103 S 4.3854 8.7720 116.1206 61.2632 62.6976 176.3554 104 N 4.4599 8.0480 118.6098 55.7032 38.5823 176.3722 105 R 3.9951 8.3967 120.3444 58.8062 30.2728 178.0141 106 F 4.3009 7.7929 118.8191 58.4899 39.2894 176.5816 107 G 4.2238 8.3987 104.8382 45.7265 0.0000 173.7890 108 G 4.2057 7.4614 109.8234 44.5013 0.0000 176.4205 109 V 4.3927 8.0905 121.9873 62.3782 34.1037 172.7177 110 T 4.5042 9.4125 121.7398 59.6508 69.5271 173.5980 111 P 4.3901 0.0000 0.0000 65.8882 31.4001 179.6022 112 V 3.7213 7.7551 109.3339 64.2876 31.9573 177.5832 113 E 4.2972 7.9284 117.9525 59.1049 29.6304 177.5185 114 I 3.9464 7.4507 119.4626 61.8177 37.7200 178.1138 *116 A 4.2451 8.1833 123.6733 52.3280 20.3042 179.4572 117 E 3.9729 8.0905 114.5593 59.7107 29.6243 178.8480 118 T 4.0256 7.7002 114.8269 66.7806 68.6337 176.4576 119 L 4.2138 7.9650 120.0583 56.9359 42.7685 177.6259 120 R 5.2369 7.2878 120.5886 54.8779 26.4500 176.1440 *122 V 4.0110 7.4133 114.0033 60.6934 34.3125 176.7454 123 S 4.6303 6.9019 111.8895 56.8580 67.1212 177.5059 124 Q 4.1440 8.2842 121.6739 59.0860 28.6259 179.0012 125 G 3.8706 8.1270 107.6526 47.1296 0.0000 175.1074 126 F 4.0440 8.9530 123.2429 61.1135 39.3261 177.2589 127 K 4.1867 8.1247 118.9158 59.5504 32.1659 179.0901 128 V 3.6665 7.7469 119.0409 64.8703 31.2540 178.0295 129 C 3.9998 8.1037 117.4084 62.7083 28.0518 176.3178 130 V 3.5021 7.2712 118.5766 65.7856 30.8712 177.5532 131 E 3.8797 7.8702 118.2452 59.3999 29.6691 178.6233 132 I 3.7889 8.2390 112.0557 63.7277 37.7294 177.6314 133 A 4.1285 7.7567 122.1968 55.0305 18.2208 180.4925 134 I 3.5279 7.4502 115.7582 61.8239 37.0581 178.1204 *136 A 3.8142 8.0274 124.6114 52.1301 20.6258 179.4968 137 A 3.9300 7.8668 117.5519 55.8280 18.2313 179.7899 138 D 4.4018 8.2245 116.6475 57.0019 40.6487 177.9410 139 A 4.4210 7.6151 118.3589 51.5249 18.7318 177.7321 140 G 3.8620 7.6863 105.2369 46.2399 0.0000 174.9742 141 L 4.2608 7.8315 118.5134 55.4283 41.9532 176.6927 142 I 4.5157 6.9729 110.4350 58.7052 40.1313 172.7371 143 P 4.4177 0.0000 0.0000 62.8729 31.6727 176.6309 144 V 4.3456 8.2014 117.9321 62.6100 32.3882 175.2302 145 D 4.9824 7.8816 116.1185 53.1460 39.9720 174.8991 146 E 4.6848 7.8346 116.6019 55.3854 33.5251 174.8856 147 E 4.4354 8.4106 120.8088 56.9030 30.6575 176.0254 148 V 4.2826 8.4908 119.6426 62.0013 36.0499 172.7389 149 I 5.4500 8.2627 124.7851 58.8293 39.3796 174.5168 150 A 5.1466 8.4645 129.1034 50.4724 21.5246 175.3687 151 I 4.8609 9.1152 122.5842 59.7124 40.6203 175.3101 152 G 4.4712 8.9953 112.7283 46.2171 0.0000 170.7467 153 G 4.7656 8.1100 105.5421 46.1491 0.0000 173.4729 154 T 4.1597 8.8052 117.0340 63.0674 67.1698 173.4201 155 A 3.3648 8.0692 132.1789 51.1476 17.4184 177.1590 156 W 5.1709 7.1862 114.5228 55.6170 33.9228 177.2265 157 G 3.9210 10.0348 107.2885 44.8496 0.0000 172.2595 158 A 4.9138 8.1032 123.1940 51.2127 22.6266 176.4866 159 D 4.8018 9.1358 116.8745 54.3196 43.4095 174.7445 160 T 5.9192 8.2522 115.7150 61.3447 73.2087 172.6001 161 A 4.9658 8.5725 126.1606 50.4292 22.9246 174.7263 162 L 5.1091 8.9330 121.4272 52.8163 46.2980 175.9205 163 V 4.6824 8.8851 123.2743 61.4512 33.0065 174.5853 164 L 4.9254 9.0436 127.8719 54.8521 44.9778 175.1333 165 T 4.7421 8.8417 116.6575 61.1113 69.8785 172.7459 166 P 4.6692 0.0000 0.0000 63.1720 32.1963 175.6331 167 A 4.6719 8.0105 121.0492 50.2809 22.7276 176.7414 168 H 5.1573 9.0085 122.2735 55.2604 27.1490 177.5472 *170 N 4.7086 9.0267 126.5091 53.4589 38.6282 174.7229 171 S 4.7036 8.4966 115.1836 58.5208 65.2171 176.3025 172 V 3.4579 8.1377 122.9039 65.2658 30.7095 177.7559 173 F 4.5869 7.8828 114.7091 57.8975 38.3283 175.5753 174 D 4.6510 8.1880 122.6319 55.1768 41.5088 176.9474 175 L 4.1712 7.6105 121.3752 55.9350 42.5255 176.7048 176 R 4.7126 8.6167 124.0556 54.3853 33.5886 174.6613 177 I 4.4527 8.2259 123.2377 60.4176 38.3954 174.8520 178 H 4.7429 9.2277 125.1697 57.6017 29.7127 175.6871 179 E 4.7227 7.9472 115.6852 54.6015 34.3326 174.8693 180 V 4.4081 8.2673 122.4292 61.5096 32.1805 175.4582 181 I 3.9567 8.6550 129.7082 63.9802 37.9961 176.0867 182 A 4.7774 7.4628 120.7351 49.8902 23.2155 172.7731 *184 P 4.6229 0.0000 0.0000 62.5997 31.9063 176.9937 185 R 4.0841 9.1452 126.1570 58.9461 30.5945 174.7367 186 P 4.4348 0.0000 0.0000 62.9764 31.3413 175.9655 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 2 E 8.44 4.30 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 3 K 8.30 4.55 0.00 1.79 1.63 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 4 K 8.46 4.37 0.00 1.82 1.78 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.37 7.81 5 I 7.72 4.61 1.71 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.65 0.00 0.00 6 C 8.03 4.40 0.00 2.71 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 0.00 0.00 0.00 7 Y 8.09 4.60 0.00 2.84 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 8 F 8.17 4.56 0.00 3.11 3.25 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 9 E 9.38 4.04 0.00 2.14 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 0.00 2.36 2.41 0.00 10 E 7.81 4.77 0.00 1.96 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 2.25 2.29 0.00 11 P 0.00 4.50 0.00 2.08 2.06 0.00 3.70 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 2.07 2.14 0.00 12 G 8.84 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 13 K 8.91 4.02 0.00 2.04 1.86 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.45 7.81 14 E 8.31 3.86 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 15 N 7.57 4.09 0.00 2.47 1.42 0.00 0.00 6.97 6.93 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 16 T 8.19 3.89 4.21 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 1.22 0.00 0.00 17 E 8.02 3.91 0.00 1.96 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 2.38 2.30 0.00 18 R 8.03 3.92 0.00 1.98 2.33 0.00 3.46 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 19 V 7.64 3.76 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 1.07 0.00 0.00 1.25 0.00 0.00 20 L 7.83 4.12 0.00 1.83 1.69 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.13 3.98 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 22 L 8.39 4.07 0.00 1.75 1.70 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.94 3.80 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 1.36 0.00 0.00 1.11 0.00 0.00 24 G 7.94 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 25 E 7.98 3.94 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 26 R 8.39 3.95 0.00 1.99 1.97 0.00 3.35 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 27 A 8.20 3.97 1.68 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 0.00 0.00 28 D 8.06 4.35 0.00 2.81 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 29 Q 8.70 4.11 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 30 L 7.75 4.71 0.00 1.66 1.61 0.89 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 31 G 8.51 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 0.00 0.00 0.00 32 I 7.77 4.05 1.69 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 1.32 0.51 0.44 0.00 0.00 33 R 8.47 4.75 0.00 1.90 2.14 0.00 2.90 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 34 N 7.68 5.28 0.00 2.46 2.64 0.00 0.00 6.80 8.13 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 35 F 9.77 5.26 0.00 2.90 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 36 V 8.82 4.77 2.06 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 0.97 0.00 0.00 0.90 0.00 0.00 37 V 9.00 4.88 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 1.05 0.00 0.00 0.99 0.00 0.00 38 A 8.33 4.98 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 39 S 8.98 4.49 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 40 V 8.93 4.37 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 0.95 0.00 0.00 0.87 0.00 0.00 41 S 7.96 4.26 0.00 3.99 4.05 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 42 G 8.55 4.46 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 0.00 43 E 8.38 3.94 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 44 T 7.74 4.09 4.25 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 1.22 0.00 0.00 45 A 7.94 4.01 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 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0.00 7.45 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 56 I 8.31 4.85 1.87 0.00 0.00 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 1.16 0.58 0.91 0.00 0.00 57 V 8.98 4.63 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 0.96 0.00 0.00 0.93 0.00 0.00 58 S 9.52 5.14 0.00 3.90 3.72 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 59 V 8.83 4.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 60 T 8.64 5.26 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 1.20 0.00 0.00 61 H 8.64 4.76 0.00 3.06 3.03 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.10 4.44 0.00 3.30 3.55 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.67 3.73 1.27 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 0.00 0.00 0.00 0.00 0.00 124 Q 8.28 4.14 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 125 G 8.13 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 0.00 126 F 8.95 4.04 0.00 3.14 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.12 4.19 0.00 1.95 2.08 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.64 7.81 128 V 7.75 3.67 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 0.95 0.00 0.00 0.90 0.00 0.00 129 C 8.10 4.00 0.00 3.00 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 0.00 130 V 7.27 3.50 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 0.97 0.00 0.00 0.90 0.00 0.00 131 E 7.87 3.88 0.00 2.17 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 2.33 2.38 0.00 132 I 8.24 3.79 1.85 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 1.67 0.67 0.93 0.00 0.00 133 A 7.76 4.13 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 0.00 134 I 7.45 3.53 1.95 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 1.39 1.15 0.97 0.00 0.00 *136 A 8.03 3.81 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 0.00 137 A 7.87 3.93 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 0.00 138 D 8.22 4.40 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.62 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.69 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 0.00 141 L 7.83 4.26 0.00 1.51 1.66 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 142 I 6.97 4.52 1.81 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 1.25 0.30 0.87 0.00 0.00 143 P 0.00 4.42 0.00 2.02 1.99 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 144 V 8.20 4.35 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 0.85 0.00 0.00 0.66 0.00 0.00 145 D 7.88 4.98 0.00 2.75 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 0.00 146 E 7.83 4.68 0.00 1.88 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 0.00 2.18 2.30 0.00 147 E 8.41 4.44 0.00 1.78 1.83 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 2.28 2.23 0.00 148 V 8.49 4.28 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 0.88 0.00 0.00 0.88 0.00 0.00 149 I 8.26 5.45 1.50 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 1.05 1.10 0.99 0.00 0.00 150 A 8.46 5.15 1.17 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 0.00 0.00 0.00 151 I 9.12 4.86 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.21 0.95 0.00 0.00 152 G 9.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.11 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 8.81 4.16 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 1.19 0.00 0.00 155 A 8.07 3.36 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 W 7.19 5.17 0.00 3.20 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 0.00 157 G 10.03 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.10 4.91 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 0.00 159 D 9.14 4.80 0.00 2.88 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 0.00 160 T 8.25 5.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 161 A 8.57 4.97 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 0.00 162 L 8.93 5.11 0.00 1.45 1.37 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.89 4.68 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 0.98 0.00 0.00 0.90 0.00 0.00 164 L 9.04 4.93 0.00 1.85 1.58 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 165 T 8.84 4.74 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 1.20 0.00 0.00 166 P 0.00 4.67 0.00 2.03 2.07 0.00 3.59 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 1.96 2.04 0.00 167 A 8.01 4.67 1.19 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 0.00 0.00 168 H 9.01 5.16 0.00 3.20 2.58 0.00 5.93 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 N 9.03 4.71 0.00 2.85 2.97 0.00 0.00 5.66 7.64 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 0.00 171 S 8.50 4.70 0.00 3.83 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 0.00 172 V 8.14 3.46 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 0.10 0.00 0.00 0.70 0.00 0.00 173 F 7.88 4.59 0.00 3.12 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 0.00 174 D 8.19 4.65 0.00 2.83 2.73 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 0.00 175 L 7.61 4.17 0.00 1.73 1.65 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 176 R 8.62 4.71 0.00 1.61 1.64 0.00 3.31 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 177 I 8.23 4.45 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 1.16 0.49 0.86 0.00 0.00 178 H 9.23 4.74 0.00 3.11 3.30 0.00 5.60 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 0.00 179 E 7.95 4.72 0.00 1.84 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 2.29 2.30 0.00 180 V 8.27 4.41 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 0.85 0.00 0.00 1.10 0.00 0.00 181 I 8.66 3.96 1.98 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 1.15 0.61 0.90 0.00 0.00 182 A 7.46 4.78 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 *184 P 0.00 4.62 0.00 2.09 2.21 0.00 3.85 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 2.19 2.34 0.00 185 R 9.15 4.08 0.00 1.90 2.01 0.00 3.22 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 1.57 1.39 0.00 186 P 0.00 4.43 0.00 2.12 1.99 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.