NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0615 8.1545 114.0522 61.0530 33.0391 175.9649 *2 R 3.9498 8.7184 123.7050 57.3419 29.6218 172.2820 3 S 4.8264 8.2678 110.3207 57.5362 66.4854 174.5019 4 L 4.6354 8.7496 122.1729 53.5564 44.4393 175.0883 5 N 5.5359 8.3470 116.7420 51.7788 42.6525 174.0196 6 S 5.6222 9.6340 117.9871 57.0794 67.4183 172.9220 7 I 5.6767 9.1554 122.5704 59.8243 41.0319 174.5419 8 V 4.8211 9.3079 126.9322 60.6848 35.1335 172.3648 9 A 5.1766 8.7379 123.3527 50.4162 21.0651 176.1104 10 V 4.9678 9.0797 115.6568 59.8509 36.3470 175.2623 11 C 4.8466 8.4053 117.4790 56.0619 32.2170 174.0846 12 Q 4.0165 8.7436 117.5529 59.0034 27.6758 177.7578 13 N 4.9090 8.2828 113.5101 52.7856 37.9377 175.0250 14 M 3.2038 8.4526 116.3132 57.1088 30.4738 177.0131 15 G 3.9205 7.6664 104.4786 45.1299 0.0000 175.0958 16 I 4.5703 8.0021 113.4642 59.7416 38.9604 175.1829 17 G 3.7337 7.2024 108.4379 45.6246 0.0000 172.4006 18 K 5.0441 8.8324 120.3478 56.5910 35.3098 175.6602 19 D 4.2269 10.6100 127.0607 55.5110 38.7973 174.9234 20 G 3.8994 8.9208 105.2006 45.5104 0.0000 172.9427 21 N 4.7632 7.6136 117.1615 51.8757 42.0687 172.9425 22 L 3.8658 7.8534 117.4414 53.4882 42.1710 175.7984 23 P 4.0831 0.0000 0.0000 63.9704 31.6562 176.2582 24 W 4.1561 5.6179 114.8279 53.1746 30.3187 173.4734 25 P 4.4444 0.0000 0.0000 61.5754 31.5347 174.2322 26 P 4.3161 0.0000 0.0000 62.7288 31.7194 177.1566 27 L 4.5987 8.3768 123.0995 52.6996 42.8663 177.1267 28 R 3.9870 8.5943 123.9565 59.8632 30.0215 177.6427 29 N 4.4760 9.4504 116.0478 56.4448 38.6819 177.0717 30 E 4.1433 8.1599 119.2713 59.5358 29.7188 178.2180 31 Y 4.3082 8.3701 119.6184 60.8212 38.7882 178.2418 32 K 4.0280 8.5166 119.4450 59.2358 32.0070 178.8248 33 Y 3.9375 8.0351 120.1953 60.5194 38.6564 177.7655 34 F 3.7270 8.1511 121.4656 61.1968 39.3991 176.8699 35 Q 3.3207 7.6746 117.4774 58.7351 28.5668 178.7151 36 R 3.6277 7.8136 119.5818 59.7027 29.8683 178.3476 37 M 3.5156 7.1638 117.1779 58.4995 31.9282 178.7595 38 T 2.4800 6.4134 108.0999 63.8939 68.8806 176.3859 39 S 4.3589 7.5928 117.4076 59.5450 63.0549 174.3228 40 T 4.0931 7.1226 118.1569 62.6663 67.9423 174.0574 41 S 4.7178 8.2686 121.0104 57.0401 64.5392 173.3831 42 H 4.9658 9.4158 122.0135 54.2438 29.0363 175.8920 43 V 4.2340 7.3968 117.1097 61.6394 34.8156 172.2554 44 E 4.1183 8.7184 126.4193 57.7958 29.8996 177.3012 45 G 3.9539 9.1110 110.1044 45.0527 0.0000 172.7508 46 K 4.9031 7.5073 117.3670 54.5817 35.3653 175.2974 47 Q 4.7744 8.7793 120.0637 54.2410 33.0065 174.6770 48 N 5.2119 8.6361 117.2169 52.5998 41.0301 173.9179 49 A 5.2085 9.4276 123.1221 50.3999 22.1324 176.0321 50 V 4.9984 8.9928 114.6120 59.6663 35.0344 174.8276 51 I 5.1558 8.9573 126.4006 59.9622 40.0292 174.5545 52 M 5.1392 8.7115 121.9251 54.1316 35.2389 174.5131 53 G 4.0896 8.9916 108.6712 45.5419 0.0000 175.0250 54 K 4.1339 8.7670 119.6648 59.5189 32.2564 178.7497 55 K 4.1151 8.1411 118.2744 59.9395 31.8152 179.2437 56 T 3.8904 7.9106 114.2919 66.2681 68.7274 175.9833 57 W 4.1789 8.0870 129.7193 60.6044 30.5823 178.0931 58 F 4.3764 8.2485 115.9732 59.7983 38.4081 177.3871 59 S 4.2398 7.8520 113.2008 59.4506 63.1495 174.3313 60 I 3.9478 6.6788 124.0715 59.3274 37.8683 173.8900 61 P 4.0835 0.0000 0.0000 62.9763 31.9589 176.4363 62 E 3.8063 9.0768 123.6965 59.4218 29.5028 179.1178 63 K 4.0892 7.9471 115.5886 58.6362 32.2489 177.1911 64 N 4.7895 8.1295 115.5465 52.7877 38.6058 174.5346 65 R 4.3197 7.3534 117.6716 53.7296 31.7467 174.6299 66 P 4.5110 0.0000 0.0000 60.9348 32.9719 175.1280 67 L 3.9143 9.1525 118.7106 54.8002 41.4884 177.2277 68 K 3.7119 8.6332 124.6408 58.3780 32.3402 175.8941 69 D 4.5895 9.0198 122.9919 54.9098 38.2970 173.4645 70 R 4.8717 7.5588 116.4762 54.4337 34.6246 175.0846 71 I 4.1436 8.6363 122.9595 60.7259 38.4747 174.9757 72 N 5.2356 9.4049 125.9615 52.6895 40.0156 174.2456 73 I 4.9897 8.8458 125.4244 59.4727 40.1607 174.8990 74 V 4.7791 8.3052 126.9653 61.2350 33.7676 174.2441 75 L 5.6342 8.2573 126.7316 52.7222 43.8362 175.9536 76 S 4.5870 8.1879 113.6696 58.0509 65.2180 175.9571 77 R 4.4312 8.9384 124.3033 56.9851 30.9292 177.2281 78 E 4.3618 8.0732 116.4937 58.0499 30.5269 176.9209 79 L 4.1619 7.6817 117.2665 54.8248 42.1678 177.0050 80 K 4.2451 8.6609 124.3838 57.9950 33.0934 176.9021 81 E 4.7331 7.6979 111.7687 53.1389 33.7741 178.4088 82 A 3.9816 8.3585 121.9039 52.2362 19.1391 176.3346 83 P 4.3893 0.0000 0.0000 61.5712 32.1333 175.8887 84 K 3.9114 8.6390 121.9826 58.8633 32.1641 176.0959 85 G 4.1633 9.0506 114.5309 45.5090 0.0000 173.5373 86 A 3.7674 7.0932 121.4185 52.3273 18.8522 177.0770 87 H 4.3752 8.4563 118.0462 58.4230 29.6161 175.5425 88 Y 4.7696 7.6543 113.2425 56.2950 42.7321 173.7928 89 L 5.2301 8.5297 122.3307 53.6035 45.0902 175.7101 90 S 4.7715 8.9379 120.2663 57.0385 67.0735 175.2790 91 K 4.2092 9.0970 121.0201 57.7817 32.6107 177.2502 92 S 4.5955 7.4366 112.3323 55.9756 66.8546 174.8054 93 L 3.9301 8.3996 122.9286 58.1414 41.6993 178.2173 94 D 4.5556 8.1079 118.4598 57.7167 40.7832 178.3285 95 D 4.3462 8.6332 119.1011 57.3619 40.8236 178.8662 96 A 3.9421 8.0669 121.1002 55.3139 18.5640 179.7491 97 L 3.9077 8.6779 118.3134 57.6408 41.4177 179.5316 98 A 3.9364 8.0895 120.2802 55.0967 18.6113 178.8524 99 L 3.9436 8.1235 119.1411 58.5541 41.8502 179.0948 100 L 3.8558 7.5341 117.2048 58.1293 41.6269 179.1279 101 D 4.4716 7.8500 117.3411 55.6784 41.1437 177.1273 102 S 4.2692 7.3708 114.4190 57.7401 63.4880 173.8449 103 P 4.1535 0.0000 0.0000 66.4464 31.3979 179.2957 *104 E 4.0622 8.3454 112.6393 58.9132 29.7066 179.8792 105 L 4.2579 8.3894 121.1475 58.6691 42.3994 180.7946 *106 K 4.6168 8.2446 120.3378 57.5079 31.9250 180.1877 107 S 4.1056 7.4181 113.0421 59.4933 63.4316 174.6729 108 K 4.2949 9.9287 121.4096 56.1303 32.6806 175.3448 109 V 4.8104 7.1805 117.8278 61.5831 33.1645 172.8381 110 D 4.4563 8.4743 128.7447 54.4889 40.4940 175.6485 111 M 4.5557 8.0566 116.1761 53.7578 35.5349 175.3467 112 V 4.6975 8.0045 121.5311 61.1001 34.0040 174.1759 113 W 5.0950 9.6237 128.0694 55.0036 32.4211 174.6037 114 I 4.8078 9.5797 126.1890 59.7845 38.4516 176.4896 115 V 4.3037 8.6734 120.4405 61.1080 33.0582 176.8005 116 G 3.0433 7.7747 109.4166 44.7075 0.0000 173.0489 117 G 4.1521 7.9694 108.7189 44.7575 0.0000 174.1862 118 T 4.0138 8.8730 115.9914 67.3808 68.5951 175.5259 119 A 3.9839 8.0138 121.4090 55.3231 18.3762 179.7255 120 V 3.5100 7.6586 115.9992 66.3487 31.7082 177.5816 121 Y 4.3111 7.8485 116.4541 61.0062 37.7246 178.5059 122 K 3.7711 8.3515 120.3165 59.5153 32.0891 178.2500 123 A 3.9862 7.8171 119.1971 55.4036 18.1622 179.1502 124 A 4.1640 8.3250 119.1154 55.6647 18.2721 179.6051 125 M 4.2649 8.4111 116.4959 58.8749 32.1598 178.5932 126 E 4.2753 8.2063 116.9077 57.1845 29.9122 177.6421 127 K 4.0139 7.3013 119.0654 56.2056 32.7709 176.3414 128 P 4.6011 0.0000 0.0000 61.4864 29.9792 174.3329 129 I 4.7555 7.0371 121.5791 59.4430 42.4921 174.5394 130 N 4.6978 8.5928 122.8612 53.8438 39.5994 173.8073 131 H 5.4473 9.3352 122.8858 55.0000 34.1254 171.9740 132 R 5.1650 9.0314 124.2498 54.3028 33.1601 174.3277 133 L 5.1710 9.3187 126.4328 53.5206 44.5732 175.1243 134 F 5.0496 10.1063 126.9938 56.3226 40.4954 174.8769 135 V 4.8213 8.9323 124.8392 61.3032 34.2645 174.4010 136 T 4.9513 8.8602 124.6649 62.1587 70.5856 174.0470 137 R 4.7299 9.0024 127.6974 55.0754 31.3993 175.8750 138 I 4.4297 8.5241 127.2506 59.3921 38.1998 177.2332 139 L 4.4911 8.2788 132.2607 53.9057 39.7285 176.0626 140 H 4.7056 7.7713 114.7247 55.0404 34.0953 174.1505 141 E 5.0417 8.4811 119.5720 54.6818 31.4396 175.8569 142 F 5.0679 8.7675 121.7409 54.9134 42.6142 174.7339 143 E 4.1822 8.9890 121.7650 56.8444 29.7712 176.6267 144 S 4.6914 8.5407 118.4719 56.7456 66.7830 173.2807 145 D 5.0418 8.7879 121.7640 53.4752 41.0352 175.5766 146 T 4.8933 7.0724 115.5255 62.0275 72.8219 172.7057 147 F 5.3248 8.6082 121.3793 55.6505 43.4947 173.9795 148 F 4.5727 9.1581 124.2202 56.9739 39.7824 173.8587 149 P 4.3094 0.0000 0.0000 62.1329 31.8309 175.7061 150 E 3.9052 8.2710 119.1554 56.2663 29.7901 176.5212 151 I 3.8016 7.8726 124.2264 59.8298 38.9172 175.8395 152 D 4.5236 8.5098 126.9360 53.9343 40.1225 175.9121 153 Y 4.9563 8.1704 123.7799 60.1350 38.1132 177.8944 154 K 4.2550 9.1464 120.2235 59.0582 32.4884 177.9479 155 D 4.3339 8.1669 118.3176 56.6390 41.3177 175.8955 156 F 4.9278 8.5732 120.5379 56.2795 39.3904 175.5838 157 K 4.5444 8.8131 124.6407 54.9861 33.8062 176.1532 158 L 4.0137 8.4173 127.3183 54.3409 42.4237 176.6134 159 L 4.2257 8.7695 127.5563 54.8508 42.2200 177.4174 160 T 4.1695 8.2741 111.0753 63.3032 69.6011 174.3697 161 E 4.7678 7.6893 120.3275 55.4738 32.6273 173.2850 162 Y 4.6572 8.3138 123.9804 55.2301 41.9263 171.7342 163 P 4.2645 0.0000 0.0000 65.1306 31.3305 176.2193 164 G 3.9018 9.2106 111.3064 45.1548 0.0000 172.1837 165 V 4.3992 7.7551 119.3412 59.9580 32.4787 173.6524 166 P 4.3265 0.0000 0.0000 63.3560 31.8893 176.2380 167 A 4.3344 8.5860 124.0090 54.5373 19.4723 178.0469 168 D 4.5875 7.7564 113.4952 53.8361 41.6179 175.9753 169 I 3.8632 7.9825 121.9074 61.7667 37.5950 176.1718 170 Q 4.3345 8.8102 125.9432 54.6966 31.0486 174.2213 171 E 4.9043 7.9627 120.3624 54.8620 33.0594 174.1281 172 E 4.6455 9.8087 125.3225 56.6029 33.0714 174.4871 173 D 4.5038 9.9106 123.5846 55.4510 38.6291 174.9124 174 G 3.9390 8.4665 104.5512 45.5113 0.0000 173.7773 175 I 4.3197 7.9102 121.2874 59.5317 39.7388 174.7627 176 Q 5.1026 8.6252 124.4937 54.7576 31.6370 174.0012 177 Y 5.3523 8.1863 119.3025 55.8689 42.0815 173.5436 178 K 4.6185 8.7907 118.8109 55.1318 36.3704 175.1250 179 F 5.1504 8.4273 121.5014 57.0763 39.9768 174.8860 180 E 4.8411 9.7495 122.4798 54.5304 34.1758 174.9131 181 V 4.5876 7.8962 120.4799 61.4299 34.9292 173.6879 182 Y 5.2050 9.0147 125.0269 56.2663 41.7985 174.4418 183 Q 5.0035 9.5871 122.9221 54.2887 32.9373 173.5047 184 K 4.8532 9.4563 128.1080 53.8562 34.5083 174.5480 185 S 4.8821 8.5657 123.7305 56.8062 64.4982 174.5537 186 V 3.9102 10.2137 124.2217 62.8138 31.3575 174.9607 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 V 8.15 4.06 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 0.89 0.00 0.00 0.90 0.00 0.00 *2 R 8.72 3.95 0.00 1.91 1.85 0.00 3.30 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 3 S 8.27 4.83 0.00 3.86 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 4 L 8.75 4.64 0.00 1.28 1.38 0.88 0.43 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 5 N 8.35 5.54 0.00 1.44 1.47 0.00 0.00 7.15 8.17 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 6 S 9.63 5.62 0.00 4.07 4.15 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 7 I 9.16 5.68 2.23 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.36 1.24 0.00 0.00 8 V 9.31 4.82 1.80 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 -0.03 0.00 0.00 0.81 0.00 0.00 9 A 8.74 5.18 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 10 V 9.08 4.97 2.14 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 0.52 0.00 0.00 0.89 0.00 0.00 11 C 8.41 4.85 0.00 3.53 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 12 Q 8.74 4.02 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.43 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 13 N 8.28 4.91 0.00 3.06 3.13 0.00 0.00 6.29 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 14 M 8.45 3.20 0.00 2.48 2.42 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 2.62 2.73 0.00 15 G 7.67 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 16 I 8.00 4.57 1.98 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 1.08 0.00 0.00 17 G 7.20 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 18 K 8.83 5.04 0.00 1.72 1.45 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.21 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.31 7.81 19 D 10.61 4.23 0.00 2.74 2.68 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 20 G 8.92 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.61 4.76 0.00 2.63 2.46 0.00 0.00 7.19 6.64 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 22 L 7.85 3.87 0.00 1.02 0.20 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.08 0.00 2.10 2.22 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 24 W 5.62 4.16 0.00 2.94 1.74 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 25 P 0.00 4.44 0.00 2.11 2.08 0.00 3.80 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 2.13 2.18 0.00 26 P 0.00 4.32 0.00 2.03 1.92 0.00 3.64 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 27 L 8.38 4.60 0.00 1.64 1.75 0.37 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.59 3.99 0.00 1.94 2.21 0.00 3.24 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 29 N 9.45 4.48 0.00 3.34 3.07 0.00 0.00 6.78 7.58 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 30 E 8.16 4.14 0.00 1.78 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 1.88 1.77 0.00 31 Y 8.37 4.31 0.00 3.22 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 32 K 8.52 4.03 0.00 2.09 1.88 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.72 7.81 33 Y 8.04 3.94 0.00 3.06 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 34 F 8.15 3.73 0.00 3.14 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 35 Q 7.67 3.32 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 1.80 2.11 0.00 36 R 7.81 3.63 0.00 1.73 1.90 0.00 3.03 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.00 37 M 7.16 3.52 0.00 0.84 1.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.61 0.00 38 T 6.41 2.48 3.44 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 -0.12 0.00 0.00 39 S 7.59 4.36 0.00 3.68 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 40 T 7.12 4.09 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 1.14 0.00 0.00 41 S 8.27 4.72 0.00 4.01 3.70 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 42 H 9.42 4.97 0.00 3.07 3.28 0.00 5.94 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.40 4.23 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 0.89 0.00 0.00 0.95 0.00 0.00 44 E 8.72 4.12 0.00 2.11 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 2.28 2.31 0.00 45 G 9.11 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 46 K 7.51 4.90 0.00 1.61 1.70 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.37 7.81 47 Q 8.78 4.77 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 48 N 8.64 5.21 0.00 2.78 3.02 0.00 0.00 6.54 7.28 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 49 A 9.43 5.21 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 50 V 8.99 5.00 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 0.77 0.00 0.00 1.11 0.00 0.00 51 I 8.96 5.16 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.09 0.92 0.00 0.00 52 M 8.71 5.14 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 53 G 8.99 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.77 4.13 0.00 1.91 1.93 0.00 1.90 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.89 1.74 7.81 55 K 8.14 4.12 0.00 1.89 1.89 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.60 7.81 56 T 7.91 3.89 4.43 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 1.27 0.00 0.00 57 W 8.09 4.18 0.00 3.32 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 58 F 8.25 4.38 0.00 3.14 3.04 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 2.04 2.09 0.00 67 L 9.15 3.91 0.00 1.88 1.75 1.14 0.90 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 68 K 8.63 3.71 0.00 1.72 1.74 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.51 7.81 69 D 9.02 4.59 0.00 2.84 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.56 4.87 0.00 1.81 1.81 0.00 3.01 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 71 I 8.64 4.14 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 1.05 0.00 0.00 72 N 9.40 5.24 0.00 2.77 2.98 0.00 0.00 6.88 7.45 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 73 I 8.85 4.99 1.91 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 1.24 0.78 0.91 0.00 0.00 74 V 8.31 4.78 1.71 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 0.88 0.00 0.00 0.22 0.00 0.00 75 L 8.26 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.97 4.15 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 0.00 0.00 0.00 118 T 8.87 4.01 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 1.30 0.00 0.00 119 A 8.01 3.98 1.33 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 0.00 0.00 0.00 120 V 7.66 3.51 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.92 0.00 0.00 121 Y 7.85 4.31 0.00 3.15 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.35 3.77 0.00 1.78 1.93 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 123 A 7.82 3.99 1.41 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 0.00 0.00 124 A 8.33 4.16 1.53 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 0.00 125 M 8.41 4.26 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.54 0.00 126 E 8.21 4.28 0.00 2.00 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 2.37 2.60 0.00 127 K 7.30 4.01 0.00 2.03 1.80 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.66 1.55 7.81 128 P 0.00 4.60 0.00 2.17 2.09 0.00 3.72 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 1.97 1.95 0.00 129 I 7.04 4.76 1.87 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 1.34 0.95 0.92 0.00 0.00 130 N 8.59 4.70 0.00 2.92 2.73 0.00 0.00 6.21 8.16 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 0.00 131 H 9.34 5.45 0.00 3.40 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 9.03 5.16 0.00 2.05 1.65 0.00 2.85 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 133 L 9.32 5.17 0.00 1.75 1.81 0.97 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 134 F 10.11 5.05 0.00 3.43 3.33 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 0.00 135 V 8.93 4.82 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 0.80 0.00 0.00 0.85 0.00 0.00 136 T 8.86 4.95 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 0.82 0.00 0.00 137 R 9.00 4.73 0.00 1.69 1.87 0.00 3.15 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 138 I 8.52 4.43 1.56 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.77 0.72 0.00 0.00 139 L 8.28 4.49 0.00 1.45 1.55 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.77 4.71 0.00 2.92 2.87 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.48 5.04 0.00 1.87 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 2.24 2.27 0.00 142 F 8.77 5.07 0.00 3.04 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 0.00 143 E 8.99 4.18 0.00 2.14 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 2.35 2.39 0.00 144 S 8.54 4.69 0.00 3.48 3.49 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 0.00 145 D 8.79 5.04 0.00 2.77 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 0.00 146 T 7.07 4.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 147 F 8.61 5.32 0.00 2.92 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 0.00 148 F 9.16 4.57 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 0.00 149 P 0.00 4.31 0.00 1.90 1.86 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.91 0.00 150 E 8.27 3.91 0.00 1.87 1.80 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 2.22 2.22 0.00 151 I 7.87 3.80 1.52 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.64 0.88 0.00 0.00 152 D 8.51 4.52 0.00 2.81 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 0.00 153 Y 8.17 4.96 0.00 3.07 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 0.00 154 K 9.15 4.26 0.00 2.07 1.91 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.55 7.81 155 D 8.17 4.33 0.00 2.76 2.46 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 0.00 156 F 8.57 4.93 0.00 3.03 3.23 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 0.00 157 K 8.81 4.54 0.00 1.72 1.75 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.70 1.54 7.81 158 L 8.42 4.01 0.00 1.00 1.36 0.32 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.77 4.23 0.00 1.60 1.61 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.27 4.17 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 1.17 0.00 0.00 161 E 7.69 4.77 0.00 1.93 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 2.24 2.32 0.00 162 Y 8.31 4.66 0.00 3.02 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 0.00 163 P 0.00 4.26 0.00 1.75 1.89 0.00 2.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 164 G 9.21 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.76 4.40 2.53 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 1.04 0.00 0.00 1.39 0.00 0.00 166 P 0.00 4.33 0.00 2.33 2.11 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 167 A 8.59 4.33 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 0.00 168 D 7.76 4.59 0.00 2.65 2.58 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 0.00 169 I 7.98 3.86 1.77 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 1.26 0.40 0.80 0.00 0.00 170 Q 8.81 4.33 0.00 0.93 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 171 E 7.96 4.90 0.00 1.78 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 2.13 2.34 0.00 172 E 9.81 4.65 0.00 2.03 1.91 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 2.33 2.36 0.00 173 D 9.91 4.50 0.00 2.86 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 0.00 174 G 8.47 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.91 4.32 2.11 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.96 0.92 0.00 0.00 176 Q 8.63 5.10 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 177 Y 8.19 5.35 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 0.00 178 K 8.79 4.62 0.00 1.72 1.76 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.34 7.81 179 F 8.43 5.15 0.00 2.97 2.98 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 0.00 0.00 0.00 180 E 9.75 4.84 0.00 1.92 1.55 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 2.14 2.22 0.00 181 V 7.90 4.59 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 -0.05 0.00 0.00 0.65 0.00 0.00 182 Y 9.01 5.20 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 0.00 183 Q 9.59 5.00 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 184 K 9.46 4.85 0.00 0.79 0.74 0.00 1.32 0.00 0.00 0.98 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.08 0.93 7.81 185 S 8.57 4.88 0.00 3.74 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 0.00 186 V 10.21 3.91 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.