NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.8331 0.0000 0.0000 63.6203 33.3811 174.2466 5 A 4.7466 7.0317 119.3987 51.1324 22.4391 174.1457 6 Y 5.2649 8.3179 117.0177 54.8623 43.3082 172.7804 *8 S 4.5301 8.3642 113.0196 58.6933 64.9899 173.1470 9 I 4.9300 8.3932 122.3063 60.1680 40.9956 174.2207 10 T 4.8367 8.7417 125.0881 62.1335 70.0930 174.8926 11 G 5.0577 9.0674 114.1703 43.8383 0.0000 174.7802 12 T 4.1181 8.2743 110.8864 63.7064 69.2066 175.8104 13 K 4.2050 8.2793 121.8420 58.4360 32.7983 177.0828 14 Q 4.2657 8.2560 113.8948 55.2553 30.0248 178.2298 15 G 3.6800 7.6592 106.0382 45.8814 0.0000 175.2380 16 L 4.3554 8.1919 119.4541 54.8214 40.1685 177.6458 17 I 3.7009 8.5780 126.4253 63.8728 37.7037 177.3649 18 T 4.3774 7.8541 108.2496 61.0819 68.9674 174.0302 19 A 4.2946 7.9188 125.9261 54.1204 18.6124 178.0985 20 G 3.9520 9.5392 110.2666 46.5007 0.0000 174.2749 21 A 4.4438 7.9227 120.5914 52.3324 19.6113 178.5231 22 F 5.1282 8.6068 118.7984 56.1124 39.1960 172.9870 23 T 4.8715 7.3156 113.8890 59.2426 72.9097 175.6244 24 E 3.7467 7.9320 120.0683 59.6873 29.5319 179.5424 25 D 4.3089 7.9810 116.6396 57.5177 41.1810 178.0403 26 S 4.2468 7.8071 112.0536 61.0536 62.6371 175.1946 27 V 4.4481 7.8917 110.8110 60.0685 33.5345 176.5062 28 G 3.7241 8.0203 110.8555 46.4330 0.0000 177.4860 29 N 4.4097 8.9200 121.6983 56.3423 38.9021 176.0353 30 T 4.0198 7.6057 113.6435 65.8057 68.7422 174.1609 31 Y 3.5572 7.2144 121.8971 58.0866 39.0987 175.8128 32 Q 3.7217 6.5695 125.9167 54.2602 31.7042 174.0194 33 E 4.0256 7.7222 123.6490 56.9916 30.0537 176.9613 34 G 3.9524 9.1399 107.1024 46.0091 0.0000 174.0699 35 H 5.0104 7.5660 113.7574 53.8886 30.3220 175.5283 36 E 4.4723 8.6822 120.2489 59.0405 29.4226 178.8797 37 D 5.2229 8.0304 115.0592 54.0918 41.1378 175.8655 38 Q 4.8038 8.3196 118.8798 54.2088 32.9174 175.0317 39 V 4.4355 7.8625 122.7685 61.3219 30.1989 177.4279 *41 V 4.0721 8.2732 128.5778 63.6517 32.7809 175.0128 42 Q 4.7385 8.3663 126.1950 55.0288 30.7721 175.1156 43 G 4.5332 7.8025 104.8563 45.3955 0.0000 172.6611 44 F 5.5464 8.8455 125.8945 56.8534 43.0120 173.3485 45 N 4.8848 8.4232 122.2538 52.2236 42.9139 172.9711 46 H 5.1795 8.4080 121.9210 55.5185 33.2039 172.0895 47 E 4.7192 7.9830 117.5418 55.4809 32.1823 174.2573 48 V 4.4335 8.2464 121.1939 61.3948 34.8583 174.4212 49 I 4.5018 7.9949 125.1603 60.0585 41.7717 174.6596 50 I 4.3304 8.2728 130.0449 59.8850 38.7181 175.2074 *61 G 3.6164 8.2473 109.1859 45.8892 0.0000 172.7353 62 Q 4.5593 8.3456 124.1458 53.6208 30.9996 175.5948 63 R 4.2589 8.2612 115.9539 56.3008 30.3598 176.2049 64 V 4.3685 8.0011 113.3137 60.1497 34.5121 174.8055 65 H 4.4830 9.8304 120.5780 54.4765 30.1881 174.6563 66 K 4.7846 7.7503 119.4618 53.7400 35.0843 174.6650 67 P 5.0923 0.0000 0.0000 63.0291 32.4817 176.1100 68 V 4.2128 9.2013 123.3064 62.5499 32.9163 174.7773 69 V 4.9855 9.1987 129.4889 61.1004 33.8526 174.3539 70 I 5.2623 8.9414 120.5587 59.5112 41.4220 174.0796 71 T 5.3012 8.9039 121.4581 61.8904 71.0805 173.6195 72 K 5.0638 9.3088 125.4552 55.1483 36.5670 175.4539 73 V 4.6956 8.1646 113.4852 59.8189 33.6027 176.2356 74 F 4.6615 8.8538 121.6619 58.2344 39.3530 175.1285 75 D 4.6095 8.7978 121.3922 51.3526 42.1916 175.6519 76 K 3.8009 8.7394 119.5297 59.9690 32.1144 178.3432 77 A 4.1729 8.2164 120.1321 54.5290 18.1842 179.3750 78 S 4.0918 8.1989 114.5589 61.6231 62.9066 174.8662 79 P 4.1706 0.0000 0.0000 65.8208 31.0720 178.6971 80 L 3.9930 7.7428 117.0963 57.6043 41.5826 179.3089 81 L 3.9621 8.3558 119.3476 57.9737 41.7119 179.7165 82 L 4.0097 8.2740 118.7007 57.2146 41.3128 179.6301 83 A 3.8867 8.0735 120.9616 55.2245 18.4521 179.2865 84 A 3.8799 8.4357 119.5663 55.2383 18.0631 179.7157 85 L 3.8854 7.9022 118.9159 58.2869 42.2045 178.8339 86 T 4.1966 7.5548 106.1184 63.0823 69.2507 175.4563 87 S 4.2679 8.3074 117.0481 58.5937 63.7159 175.1476 88 G 3.8002 7.7316 106.6855 45.8014 0.0000 172.8937 89 E 3.9375 7.8625 120.8857 55.5208 30.1462 175.7280 90 R 4.3585 8.4983 126.8218 55.9265 31.4823 175.2872 91 L 4.3669 9.0231 128.2663 54.9333 41.8200 177.8081 92 T 4.0858 8.7244 122.4197 66.3718 69.8532 174.6176 93 K 4.8800 8.2265 121.9563 54.9294 36.1363 175.0391 94 V 4.7407 8.6582 127.4749 60.9645 34.2193 173.8107 95 E 4.8861 9.0052 128.3866 54.6498 32.4813 174.3340 96 I 4.3302 8.7772 128.7735 59.7825 39.5304 174.6438 97 Q 5.0006 8.6860 127.0678 54.1681 30.6675 174.6933 98 W 5.0653 9.5297 125.2785 55.5667 30.9413 175.4286 99 Y 5.5881 8.9967 122.2650 56.8376 40.4320 174.7198 100 R 4.7151 8.8555 116.5437 55.4746 33.6905 173.9121 101 T 4.7570 8.3306 116.8827 62.7389 69.1705 175.5435 102 S 4.5302 10.0772 121.9808 57.1393 63.8597 175.1540 103 A 3.9223 8.5317 123.2942 55.1290 18.0673 178.5754 104 A 4.1915 7.8238 116.0303 52.7210 19.0666 177.8023 105 G 4.2034 8.0160 104.8464 45.2370 0.0000 173.5656 106 T 4.7783 7.9275 115.3845 61.0531 72.2378 173.5876 107 Q 5.1074 8.7644 124.1091 56.0929 28.9451 175.4982 108 E 4.8950 9.6186 122.3560 54.6497 33.4813 174.4733 109 H 4.1086 9.0276 122.9087 56.0969 30.0132 173.9654 110 Y 4.7132 8.9898 123.7202 56.8337 39.8382 174.4599 111 Y 4.8147 7.0662 119.9662 56.9905 42.5692 173.1053 112 T 5.4771 8.1018 120.1231 62.3953 73.6166 173.0977 113 T 5.0572 9.2845 121.4669 61.9075 72.3018 172.9610 114 V 4.6493 8.4038 126.7172 60.9022 34.4935 174.0516 115 L 4.7797 8.8120 127.9324 53.1177 44.1776 175.1030 116 E 4.7891 8.9446 122.9338 55.1622 31.8949 175.9852 117 D 4.4334 8.1685 122.9145 55.3835 39.1973 173.1152 118 A 4.7565 7.8338 120.3349 51.9049 20.9732 178.0315 119 I 4.8564 9.1640 120.0460 59.4197 41.3677 175.1309 120 I 4.1672 8.5335 127.5476 61.4117 37.1838 176.0884 121 V 4.2797 8.0219 119.7938 60.6201 32.8411 175.4401 122 D 4.3800 7.2099 117.1468 53.5816 44.3255 174.5788 123 I 5.3660 8.3736 125.0616 58.2995 41.0635 174.3332 124 K 4.6386 8.8315 127.3552 54.7969 34.8042 174.0262 125 D 5.7548 8.7407 127.3750 53.3852 42.5026 174.4772 126 Y 4.6516 8.6089 121.3711 58.2088 44.5515 176.2055 *139 T 3.9482 8.0635 113.4185 61.5090 68.9732 173.0181 140 H 4.4253 7.5307 121.6711 54.2957 29.9121 173.9433 141 L 5.0719 7.9184 123.6056 52.9881 45.5687 175.7689 142 E 5.2704 8.7507 120.3150 55.8400 33.3697 173.8852 143 D 5.3877 9.5481 127.8505 53.6225 43.3124 175.8023 144 V 4.7383 9.0908 121.1013 61.6881 34.9893 173.6590 145 H 5.4500 9.0061 125.0385 54.2676 31.3308 173.8056 146 F 6.0942 9.5386 120.7971 55.2050 42.4622 175.1104 147 T 4.5961 8.3729 113.4353 61.0884 71.6095 172.2842 148 Y 4.9171 5.7489 117.3838 57.6564 39.8406 173.1987 149 R 4.5985 8.6962 117.2271 57.3166 33.1848 176.4080 150 K 5.0573 8.1111 118.8731 55.3692 35.7591 174.1527 151 I 4.5917 8.5337 127.4930 59.3514 41.1922 174.1489 152 T 4.7874 8.0640 123.0549 61.3990 72.8657 172.9630 153 W 5.3371 9.3920 124.3073 55.3181 32.8227 174.4901 154 T 4.7777 8.3523 121.1622 61.8029 72.0959 172.5508 155 H 4.3155 9.2798 127.3423 54.9067 30.3861 175.5035 156 E 3.9331 8.5062 126.9290 58.8175 29.3482 178.6107 157 V 3.9744 7.9813 117.6333 63.9526 32.2065 176.3605 158 S 4.5052 8.4190 113.1777 57.3704 64.0658 173.5367 159 G 3.8386 8.1873 108.4217 47.1461 0.0000 173.4590 160 T 4.8768 7.3731 107.8553 59.9395 72.3661 173.8131 161 S 5.0407 8.4418 115.8617 58.1262 66.1070 172.9827 162 G 4.4199 8.9057 107.5105 46.1056 0.0000 171.6802 163 S 5.0844 8.5763 112.9989 58.2577 65.5602 174.4373 164 D 4.7984 8.5295 118.3409 53.1874 44.8806 174.2697 165 D 5.0367 8.8399 125.4919 53.7588 41.6146 176.0520 166 W 3.7042 8.9057 133.2912 57.5458 31.5593 175.9250 167 R 4.1712 7.1596 123.9762 57.3320 29.8085 173.8138 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 4 P 0.00 4.83 0.00 1.72 2.20 0.00 3.99 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.79 0.00 5 A 7.03 4.75 0.69 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 6 Y 8.32 5.26 0.00 2.81 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 *8 S 8.36 4.53 0.00 3.92 4.03 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 9 I 8.39 4.93 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.98 0.00 0.00 10 T 8.74 4.84 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 1.17 0.00 0.00 11 G 9.07 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.27 4.12 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 1.27 0.00 0.00 13 K 8.28 4.21 0.00 1.73 1.85 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.44 7.81 14 Q 8.26 4.27 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 15 G 7.66 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 0.00 0.00 0.00 16 L 8.19 4.36 0.00 1.74 1.61 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.58 3.70 2.05 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 1.37 0.89 0.94 0.00 0.00 18 T 7.85 4.38 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 1.26 0.00 0.00 19 A 7.92 4.29 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 9.54 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 21 A 7.92 4.44 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.61 5.13 0.00 3.38 3.13 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 23 T 7.32 4.87 4.06 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 0.00 0.00 0.00 1.26 0.00 0.00 24 E 7.93 3.75 0.00 1.74 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 2.08 1.47 0.00 25 D 7.98 4.31 0.00 2.61 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.81 4.25 0.00 4.03 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 27 V 7.89 4.45 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 1.02 0.00 0.00 0.86 0.00 0.00 28 G 8.02 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 0.00 0.00 0.00 29 N 8.92 4.41 0.00 2.68 2.88 0.00 0.00 6.85 7.70 0.00 0.00 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 T 7.61 4.02 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 1.39 0.00 0.00 31 Y 7.21 3.56 0.00 2.66 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 32 Q 6.57 3.72 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 33 E 7.72 4.03 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 2.13 2.22 0.00 34 G 9.14 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 35 H 7.57 5.01 0.00 2.54 2.63 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.68 4.47 0.00 2.12 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 2.48 2.54 0.00 37 D 8.03 5.22 0.00 2.68 2.69 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 38 Q 8.32 4.80 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 39 V 7.86 4.44 2.13 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 0.96 0.00 0.00 0.96 0.00 0.00 *41 V 8.27 4.07 1.75 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 0.93 0.00 0.00 0.81 0.00 0.00 42 Q 8.37 4.74 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 43 G 7.80 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 5.55 0.00 2.96 3.14 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 45 N 8.42 4.88 0.00 2.48 2.54 0.00 0.00 6.31 7.74 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 46 H 8.41 5.18 0.00 3.01 3.40 0.00 5.78 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 47 E 7.98 4.72 0.00 1.97 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 2.19 2.19 0.00 48 V 8.25 4.43 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 0.75 0.00 0.00 0.94 0.00 0.00 49 I 7.99 4.50 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.85 0.00 0.00 50 I 8.27 4.33 1.84 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 1.32 0.66 0.89 0.00 0.00 *61 G 8.25 3.62 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 0.00 0.00 0.00 62 Q 8.35 4.56 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 63 R 8.26 4.26 0.00 1.89 1.93 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 64 V 8.00 4.37 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 0.70 0.00 0.00 0.92 0.00 0.00 65 H 9.83 4.48 0.00 1.40 2.24 0.00 5.62 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 66 K 7.75 4.78 0.00 1.78 1.74 0.00 1.57 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81 67 P 0.00 5.09 0.00 2.12 2.29 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 68 V 9.20 4.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.04 0.00 0.00 69 V 9.20 4.99 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 0.86 0.00 0.00 0.73 0.00 0.00 70 I 8.94 5.26 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.18 1.27 0.00 0.00 71 T 8.90 5.30 4.32 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 1.34 0.00 0.00 72 K 9.31 5.06 0.00 1.78 1.94 0.00 1.36 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 V 8.16 4.70 2.13 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 0.71 0.00 0.00 1.03 0.00 0.00 74 F 8.85 4.66 0.00 2.78 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.80 4.61 0.00 2.98 2.88 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 76 K 8.74 3.80 0.00 1.79 1.94 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.48 7.81 77 A 8.22 4.17 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.09 0.00 3.85 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 79 P 0.00 4.17 0.00 2.11 2.06 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 80 L 7.74 3.99 0.00 1.81 1.86 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.36 3.96 0.00 1.85 1.68 0.95 0.66 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 82 L 8.27 4.01 0.00 1.75 1.66 0.77 0.87 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 83 A 8.07 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.44 3.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.90 3.89 0.00 1.67 1.78 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.55 4.20 4.22 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 1.19 0.00 0.00 87 S 8.31 4.27 0.00 3.97 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 88 G 7.73 3.80 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 0.00 0.00 0.00 89 E 7.86 3.94 0.00 1.99 1.84 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 2.31 2.25 0.00 90 R 8.50 4.36 0.00 1.93 1.80 0.00 3.39 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 91 L 9.02 4.37 0.00 1.81 1.67 1.31 0.92 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 92 T 8.72 4.09 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 1.20 0.00 0.00 93 K 8.23 4.88 0.00 1.78 1.55 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.32 7.81 94 V 8.66 4.74 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 0.08 0.00 0.00 0.49 0.00 0.00 95 E 9.01 4.89 0.00 1.86 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 96 I 8.78 4.33 1.62 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 1.03 0.37 -0.12 0.00 0.00 97 Q 8.69 5.00 0.00 2.07 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 98 W 9.53 5.07 0.00 2.79 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 9.00 5.59 0.00 2.95 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 0.00 100 R 8.86 4.72 0.00 1.59 1.51 0.00 2.34 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.47 0.00 101 T 8.33 4.76 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 102 S 10.08 4.53 0.00 3.95 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 0.00 103 A 8.53 3.92 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 0.00 104 A 7.82 4.19 1.29 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 0.00 0.00 0.00 105 G 8.02 4.20 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 0.00 0.00 0.00 106 T 7.93 4.78 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 1.26 0.00 0.00 107 Q 8.76 5.11 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 108 E 9.62 4.90 0.00 2.03 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 2.39 2.33 0.00 109 H 9.03 4.11 0.00 2.21 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.99 4.71 0.00 3.05 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 0.00 111 Y 7.07 4.81 0.00 1.58 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 0.00 0.00 0.00 112 T 8.10 5.48 4.16 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 1.25 0.00 0.00 113 T 9.28 5.06 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 1.22 0.00 0.00 114 V 8.40 4.65 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 0.90 0.00 0.00 0.88 0.00 0.00 115 L 8.81 4.78 0.00 1.32 1.21 0.64 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.94 4.79 0.00 1.89 1.82 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 2.18 2.18 0.00 117 D 8.17 4.43 0.00 2.82 2.66 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 0.00 118 A 7.83 4.76 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 9.16 4.86 1.81 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 1.16 1.01 0.88 0.00 0.00 120 I 8.53 4.17 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.69 0.00 0.00 121 V 8.02 4.28 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 0.58 0.00 0.00 0.94 0.00 0.00 122 D 7.21 4.38 0.00 2.59 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 0.00 0.00 0.00 123 I 8.37 5.37 1.82 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 1.28 1.78 0.93 0.00 0.00 124 K 8.83 4.64 0.00 1.82 1.74 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.13 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.60 1.44 7.81 125 D 8.74 5.75 0.00 2.78 3.06 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 0.00 0.00 0.00 0.00 126 Y 8.61 4.65 0.00 3.18 3.12 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 *139 T 8.06 3.95 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 0.98 0.00 0.00 140 H 7.53 4.43 0.00 2.72 2.17 0.00 5.64 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.92 5.07 0.00 0.32 1.04 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.75 5.27 0.00 2.50 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 2.28 2.36 0.00 143 D 9.55 5.39 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 9.09 4.74 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 0.35 0.00 0.00 0.93 0.00 0.00 145 H 9.01 5.45 0.00 3.06 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 9.54 6.09 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 8.37 4.60 2.69 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 1.06 0.00 0.00 148 Y 5.75 4.92 0.00 3.12 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.70 4.60 0.00 1.92 2.09 0.00 3.15 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 150 K 8.11 5.06 0.00 1.90 1.60 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.62 7.81 151 I 8.53 4.59 1.04 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.66 0.62 0.00 0.00 152 T 8.06 4.79 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 1.13 0.00 0.00 153 W 9.39 5.34 0.00 3.21 2.81 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 0.00 154 T 8.35 4.78 4.04 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 1.13 0.00 0.00 155 H 9.28 4.32 0.00 3.17 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.51 3.93 0.00 1.72 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 2.08 1.94 0.00 157 V 7.98 3.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 158 S 8.42 4.51 0.00 3.63 3.79 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 0.00 159 G 8.19 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 0.00 160 T 7.37 4.88 4.22 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 1.18 0.00 0.00 161 S 8.44 5.04 0.00 3.95 3.78 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 0.00 162 G 8.91 4.42 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 0.00 163 S 8.58 5.08 0.00 3.85 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 0.00 164 D 8.53 4.80 0.00 3.14 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 0.00 165 D 8.84 5.04 0.00 2.67 2.66 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 0.00 166 W 8.91 3.70 0.00 3.21 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 0.00 167 R 7.16 4.17 0.00 1.89 1.67 0.00 3.29 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.42 0.00 * Residues marked with a * may have inaccurate shift predictions.