NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2833 8.2644 123.5822 51.5498 20.0979 176.3492 3 D 4.2617 8.6392 122.5425 52.9571 41.7101 173.9469 4 E 4.1932 9.1300 125.1176 58.4022 30.5438 178.4081 5 A 3.9912 8.6625 123.1934 55.3366 18.2859 179.6204 6 L 3.9051 8.0210 117.3595 57.8929 41.7296 179.3459 7 F 4.0748 8.2225 120.1044 61.3248 39.3155 177.0036 8 L 3.7873 8.1901 118.5931 57.7550 41.3450 179.5209 9 L 3.9520 8.0881 119.1171 57.4393 41.4908 179.3198 10 L 3.7908 8.0643 120.7086 58.2543 42.0401 178.3389 11 H 3.5421 7.6570 118.1085 59.2252 29.6453 176.4442 12 N 4.3828 8.1200 118.6843 56.9390 38.7559 176.3690 13 E 3.9026 8.3989 120.7773 59.3805 29.6765 178.7403 14 M 3.9183 8.3189 119.3021 58.2658 31.7995 178.9530 15 V 3.4340 7.4813 117.5303 65.5601 31.7686 177.5767 16 S 4.6005 8.2587 111.9726 56.9282 63.9493 174.8156 17 G 3.6560 8.2884 109.1134 45.2819 0.0000 175.2638 18 V 3.2719 8.9382 119.4629 65.6858 31.6959 175.9397 19 Y 4.9797 7.4329 115.1632 57.3845 38.4870 175.4675 20 K 4.1963 7.9068 121.5581 55.6214 32.9551 176.3003 21 S 4.3761 8.5086 120.9698 57.9662 62.8644 173.7279 22 A 4.1381 9.8207 130.0311 52.6351 17.8924 176.9081 23 E 3.8109 8.1423 114.6859 57.5996 27.4134 176.0918 24 Q 4.0024 8.7814 122.2473 57.8694 29.5703 175.6817 25 G 3.9719 7.4239 104.8670 44.3054 0.0000 173.0085 26 E 3.9585 8.2148 117.9401 59.4355 29.1522 179.7688 27 V 3.5399 7.7505 117.7085 65.9010 31.3918 177.5838 28 E 3.8974 8.0131 117.2950 59.3535 29.7307 177.8129 29 N 4.5597 8.0111 115.2488 56.3671 38.9295 177.1953 30 G 3.8730 8.6259 107.2139 47.8636 0.0000 176.9016 31 R 4.1681 8.0274 118.3574 56.4029 29.8642 178.7721 *33 I 4.0976 7.7041 121.4097 61.8520 39.2556 178.3627 34 T 3.9191 7.9658 116.8322 66.3414 68.1308 177.0614 35 K 3.7864 7.8525 120.5595 59.2201 31.9465 179.4061 36 L 4.0891 7.5984 118.6827 57.8220 41.3869 179.0254 37 E 4.2020 8.3037 119.2068 59.3944 29.5991 178.4657 38 N 4.3829 8.5922 116.9455 56.7064 38.6442 177.1376 39 M 4.2789 8.3131 120.1121 58.5736 32.0290 179.1049 40 G 2.6341 8.1305 105.7275 47.2047 0.0000 175.4641 41 F 4.2217 8.3068 123.0787 61.2313 39.5418 177.5236 42 R 3.9002 8.1480 117.6517 59.3166 29.8480 179.1969 43 V 3.7557 7.9612 118.1867 65.7481 31.4936 178.2990 44 G 3.6798 8.2029 105.6435 47.9833 0.0000 175.3036 45 Q 3.9620 7.7259 121.5320 58.8243 28.9153 180.1021 46 G 3.6273 7.9870 105.7906 47.5208 0.0000 175.8335 47 L 4.2441 8.4169 121.7448 57.6739 41.6365 179.6438 48 I 3.9148 7.9623 119.6452 64.6025 36.9118 178.0159 49 E 3.9217 7.9689 117.9140 59.6260 29.3767 179.4320 50 R 3.8298 7.5245 116.7003 58.6247 30.2162 177.2453 51 F 4.9491 7.7692 113.8419 57.4027 39.8349 177.1560 52 T 4.8878 7.6843 115.5093 63.2238 70.5972 173.1721 53 K 4.3637 7.8886 119.1425 56.5754 32.9461 177.1280 54 D 4.7656 7.5342 117.1296 53.2129 39.8103 177.7599 55 T 4.0111 7.4588 115.8339 66.1376 69.4398 176.8326 56 A 4.0482 7.9081 123.7714 54.5376 18.5131 178.0111 57 R 4.3158 7.0249 109.4086 56.2086 29.7968 177.5685 58 F 4.3588 7.7582 117.7905 60.5638 39.8335 176.3277 59 K 3.7272 8.7060 118.1856 56.3671 30.4007 172.2147 60 D 5.4064 7.9645 114.4763 50.9485 40.1530 177.3986 61 E 3.8314 8.9370 122.0749 59.8435 29.5415 179.2503 62 L 4.0765 7.9656 118.1681 57.9152 41.6187 179.1518 63 D 4.4640 8.3651 118.5938 57.2876 40.7281 178.9248 64 I 3.1893 7.6037 120.3582 64.5336 37.0972 178.4014 65 M 3.8269 8.1421 119.9046 58.1048 31.7315 178.9159 66 K 3.9175 8.0723 118.6627 59.3826 32.2394 178.9795 67 F 4.1996 8.4524 121.0827 61.4514 39.2346 177.1278 68 I 3.6224 7.8445 119.2799 64.7696 36.8455 178.3270 69 C 4.1110 8.4722 119.7443 62.4961 27.8357 175.2738 70 K 4.4543 7.6780 122.7895 58.5508 33.0657 182.1278 71 D 4.4061 8.2960 119.7205 56.8481 41.0478 178.9955 72 F 3.8853 7.2895 120.5430 60.9877 39.5438 176.7209 73 W 4.0549 8.5930 128.1685 61.0324 30.4831 178.0534 74 T 4.2134 7.8409 116.8143 66.2771 67.5821 176.8839 75 T 3.4709 7.5021 117.2271 66.1716 68.4337 176.3264 76 V 3.1476 6.6855 118.1010 64.1301 31.4860 176.5769 77 F 4.6334 7.9029 114.3116 56.3796 39.9186 176.0807 78 K 4.4217 8.5605 118.8116 56.5262 29.5156 175.0958 79 K 4.5337 7.5251 117.0064 56.3160 35.4409 174.7981 80 Q 4.5959 8.3430 118.9271 54.4510 30.1263 175.8011 81 I 3.6441 7.8355 113.5597 61.2355 37.7241 175.9308 82 D 4.6369 8.9053 123.7455 56.5985 41.8629 176.9884 83 N 4.9667 7.8334 114.6725 51.5212 43.3644 173.2332 84 L 5.0438 8.5830 125.1536 53.5121 43.8672 175.4810 85 R 4.8377 8.9141 125.2077 54.9239 33.6157 174.8279 86 T 4.8833 8.0813 114.4449 60.9069 70.2805 173.2104 87 N 4.4879 8.2954 122.0987 52.4950 38.0867 175.1551 88 H 4.0973 7.6992 114.9205 57.0773 26.6341 174.7077 89 Q 4.5076 8.5642 116.5329 55.9587 30.0188 176.4774 90 G 4.0710 8.5264 108.1938 44.9583 0.0000 173.7103 91 I 4.8286 7.5640 120.7097 60.1036 39.2633 174.3846 92 Y 5.0715 9.3685 123.9847 56.0773 42.1327 174.6069 93 V 4.8589 8.9571 122.6402 61.1651 34.6788 174.0880 94 L 4.8815 9.2187 128.7419 53.1569 43.8469 175.1285 95 Q 4.8116 9.1797 126.9426 54.6758 30.5468 173.6671 96 D 5.2383 9.0489 126.8596 52.6102 42.8568 176.5024 97 N 4.5587 10.0918 125.3665 55.5301 38.9204 175.8547 98 K 4.5497 7.8062 116.5108 53.9007 32.6393 173.7174 99 F 4.8198 8.9708 123.2309 57.2748 39.9154 176.6008 100 R 3.8869 7.7962 127.5094 58.7161 30.0678 177.3850 101 L 4.2365 6.2281 115.1386 54.9116 42.5240 177.0027 102 L 4.5781 7.3689 120.6693 54.0788 40.5472 176.5699 103 T 4.5830 7.2084 111.7499 63.2908 71.6194 176.1491 104 Q 4.2953 7.7881 120.8108 55.4936 26.4637 175.5175 105 M 3.6173 7.4440 120.1628 54.9062 32.7043 175.0626 *111 Y 4.4555 7.5967 119.6164 56.8911 40.7844 173.0597 112 L 3.6134 8.1068 130.4253 54.5317 41.9542 177.2571 113 E 3.9383 8.1570 122.9118 59.7349 29.8008 179.3553 114 H 4.9408 7.7260 113.8164 55.9691 29.2463 177.1251 115 A 4.1911 7.8946 125.1983 55.6312 17.9675 180.5223 116 S 4.2964 8.2002 111.8334 61.1026 62.9288 176.5315 117 K 4.0604 8.4341 122.5901 59.4680 31.5291 177.7983 118 Y 4.4832 7.9495 113.7976 58.9640 38.2268 176.4830 119 L 4.8688 7.9683 119.7667 55.6340 42.8378 178.4908 120 A 4.1157 7.8865 120.9467 55.1678 18.2955 179.1975 121 F 4.4337 8.5827 118.7115 62.1650 39.6080 177.3318 122 T 4.1567 8.4797 114.5658 66.5247 68.4112 176.5460 123 C 4.5386 8.8067 119.3904 62.7811 28.1252 176.3624 124 G 3.6539 8.1005 107.0269 47.1326 0.0000 175.2041 125 L 4.0433 7.9413 123.2061 58.2194 41.9204 179.3181 126 I 3.6284 7.7426 118.7445 64.4543 37.0912 178.3479 127 R 4.0468 8.1268 119.6756 59.5940 29.9274 178.7891 128 G 2.8411 8.8733 105.9069 47.1080 0.0000 175.9170 129 G 3.2891 8.1148 108.2851 47.6439 0.0000 175.7893 130 L 3.9346 7.9962 121.6527 57.0809 41.6216 179.1999 131 S 4.3156 8.2553 115.0288 60.9895 62.1676 176.0313 132 N 4.5475 7.9203 116.2427 54.8560 38.3273 176.2295 133 L 4.5209 7.1198 118.2843 54.1877 42.0620 177.0174 134 G 3.9675 8.0530 107.4939 44.8240 0.0000 173.2814 135 I 4.4924 8.1346 121.5608 59.1431 39.8449 175.0139 136 K 4.5748 8.6581 127.0680 56.0476 33.4074 176.1576 137 S 5.1104 8.5519 117.5857 57.1565 66.7789 172.8892 138 I 4.5042 8.7571 121.5502 59.5703 39.3499 174.8556 139 V 4.9847 8.5722 127.1803 61.3569 33.4793 174.4643 140 T 4.9606 9.0350 117.0843 60.1902 72.6434 172.2779 141 A 5.0150 8.2263 121.5169 50.8212 22.0614 175.3549 142 E 4.6986 8.6868 117.5685 54.4352 33.8001 175.1108 143 V 4.1524 8.2623 121.4000 61.4345 31.8225 176.1039 144 S 4.2348 8.6285 120.4399 60.5394 63.7081 174.4615 145 S 4.3143 8.0873 115.3798 56.8961 63.2329 171.9211 146 M 3.9558 8.3530 124.9160 55.2626 32.5183 174.1568 147 P 4.6317 0.0000 0.0000 62.6275 32.1727 175.0886 148 A 5.2343 9.0549 122.5054 49.7944 21.1233 175.3994 149 C 5.1605 7.4189 126.2360 59.7497 31.0198 172.6989 150 K 5.0241 8.3012 125.6130 54.3006 35.0136 175.1878 151 F 5.0448 9.3253 123.8825 55.8192 41.3986 174.3007 152 Q 4.9787 9.3803 126.0242 54.5819 31.0143 174.1567 153 V 4.6553 9.1088 127.6473 61.6599 33.4944 173.8226 154 M 5.0169 8.9369 129.1330 54.1165 33.8960 174.6490 155 I 4.6943 8.4652 127.8156 60.6003 38.4617 175.7533 156 Q 4.3734 9.0425 126.1055 55.5244 29.9238 176.4124 157 K 4.3805 8.3045 123.9142 55.6273 34.7969 177.4789 *158 L 4.1415 8.3363 119.3742 55.3402 41.5304 172.3520 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 A 8.26 4.28 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 3 D 8.64 4.26 0.00 2.84 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 4 E 9.13 4.19 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 5 A 8.66 3.99 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 6 L 8.02 3.91 0.00 1.96 1.75 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.22 4.07 0.00 3.10 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 8 L 8.19 3.79 0.00 1.85 1.67 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.09 3.95 0.00 1.76 1.67 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.06 3.79 0.00 1.75 1.39 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.66 3.54 0.00 2.28 3.02 0.00 5.65 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 12 N 8.12 4.38 0.00 2.97 3.01 0.00 0.00 6.95 7.23 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 13 E 8.40 3.90 0.00 2.14 2.02 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 2.24 2.30 0.00 14 M 8.32 3.92 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 15 V 7.48 3.43 1.47 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 -0.05 0.00 0.00 0.56 0.00 0.00 16 S 8.26 4.60 0.00 4.11 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.29 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 0.00 0.00 0.00 18 V 8.94 3.27 0.67 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 0.33 0.00 0.00 0.54 0.00 0.00 19 Y 7.43 4.98 0.00 3.12 2.80 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 20 K 7.91 4.20 0.00 1.82 1.68 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.29 7.81 21 S 8.51 4.38 0.00 3.88 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 0.00 22 A 9.82 4.14 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 23 E 8.14 3.81 0.00 2.15 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 2.42 2.37 0.00 24 Q 8.78 4.00 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 25 G 7.42 3.97 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 0.00 0.00 0.00 26 E 8.21 3.96 0.00 2.02 2.02 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 2.40 2.37 0.00 27 V 7.75 3.54 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 1.12 0.00 0.00 0.93 0.00 0.00 28 E 8.01 3.90 0.00 2.01 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 2.31 2.41 0.00 29 N 8.01 4.56 0.00 2.89 2.89 0.00 0.00 7.07 6.94 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 30 G 8.63 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 31 R 8.03 4.17 0.00 1.98 1.94 0.00 3.16 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 *33 I 7.70 4.10 2.16 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 1.54 1.16 0.93 0.00 0.00 34 T 7.97 3.92 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 1.20 0.00 0.00 35 K 7.85 3.79 0.00 1.18 0.76 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.22 1.40 7.81 36 L 7.60 4.09 0.00 1.91 1.87 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.30 4.20 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 38 N 8.59 4.38 0.00 2.94 2.86 0.00 0.00 7.06 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.31 4.28 0.00 2.46 2.62 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.70 0.00 40 G 8.13 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 0.00 0.00 0.00 41 F 8.31 4.22 0.00 3.14 3.30 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 42 R 8.15 3.90 0.00 2.21 2.02 0.00 3.37 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 43 V 7.96 3.76 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 1.16 0.00 0.00 1.24 0.00 0.00 44 G 8.20 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 45 Q 7.73 3.96 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.19 1.82 0.00 46 G 7.99 3.63 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 0.00 0.00 0.00 47 L 8.42 4.24 0.00 2.03 1.88 0.49 0.66 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 48 I 7.96 3.91 2.08 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 1.85 1.24 0.92 0.00 0.00 49 E 7.97 3.92 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 50 R 7.52 3.83 0.00 1.59 1.60 0.00 2.84 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 51 F 7.77 4.95 0.00 3.28 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 52 T 7.68 4.89 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 1.12 0.00 0.00 53 K 7.89 4.36 0.00 1.69 1.75 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.42 7.81 54 D 7.53 4.77 0.00 2.52 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 55 T 7.46 4.01 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 1.23 0.00 0.00 56 A 7.91 4.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.02 4.32 0.00 1.70 1.87 0.00 3.09 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 58 F 7.76 4.36 0.00 3.06 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 59 K 8.71 3.73 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 60 D 7.96 5.41 0.00 3.06 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 61 E 8.94 3.83 0.00 2.10 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 2.43 2.41 0.00 62 L 7.97 4.08 0.00 1.76 1.77 1.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.37 4.46 0.00 3.07 2.92 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 64 I 7.60 3.19 1.84 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 0.97 0.67 0.63 0.00 0.00 65 M 8.14 3.83 0.00 1.49 1.68 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.20 0.00 66 K 8.07 3.92 0.00 2.03 1.92 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.64 7.81 67 F 8.45 4.20 0.00 3.13 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 68 I 7.84 3.62 1.97 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 1.66 0.51 1.00 0.00 0.00 69 C 8.47 4.11 0.00 3.12 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 70 K 7.68 4.45 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.31 7.81 71 D 8.30 4.41 0.00 1.65 2.57 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 0.00 0.00 0.00 0.00 72 F 7.29 3.89 0.00 2.65 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 73 W 8.59 4.05 0.00 3.74 3.34 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 74 T 7.84 4.21 4.34 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 1.17 0.00 0.00 75 T 7.50 3.47 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 0.52 0.00 0.00 76 V 6.69 3.15 0.68 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 -0.80 0.00 0.00 0.05 0.00 0.00 77 F 7.90 4.63 0.00 2.95 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 78 K 8.56 4.42 0.00 1.90 1.93 0.00 1.49 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 1.35 7.81 79 K 7.53 4.53 0.00 1.91 1.96 0.00 1.41 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.73 1.70 7.81 80 Q 8.34 4.60 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.07 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 81 I 7.84 3.64 1.58 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.39 -0.26 0.00 0.00 82 D 8.91 4.64 0.00 2.61 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 83 N 7.83 4.97 0.00 2.63 2.62 0.00 0.00 6.62 6.74 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 84 L 8.58 5.04 0.00 1.57 1.54 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.91 4.84 0.00 1.74 1.74 0.00 3.14 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 86 T 8.08 4.88 3.98 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 0.86 0.00 0.00 87 N 8.30 4.49 0.00 2.81 2.81 0.00 0.00 6.97 7.27 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 88 H 7.70 4.10 0.00 3.33 3.39 0.00 5.60 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.56 4.51 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 90 G 8.53 4.07 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 0.00 0.00 0.00 91 I 7.56 4.83 1.90 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 1.33 1.14 0.88 0.00 0.00 92 Y 9.37 5.07 0.00 2.86 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 93 V 8.96 4.86 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.92 0.00 0.00 94 L 9.22 4.88 0.00 1.55 1.20 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 9.18 4.81 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 96 D 9.05 5.24 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 10.09 4.56 0.00 2.85 2.89 0.00 0.00 6.84 8.25 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 98 K 7.81 4.55 0.00 1.73 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 99 F 8.97 4.82 0.00 3.20 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 0.00 100 R 7.80 3.89 0.00 1.69 1.95 0.00 3.42 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 101 L 6.23 4.24 0.00 1.42 1.71 1.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.37 4.58 0.00 1.86 1.65 1.14 0.89 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 0.00 103 T 7.21 4.58 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 1.18 0.00 0.00 104 Q 7.79 4.30 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 105 M 7.44 3.62 0.00 1.48 1.75 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 *111 Y 7.60 4.46 0.00 3.04 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 L 8.11 3.61 0.00 1.66 1.56 0.43 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.16 3.94 0.00 1.54 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 2.20 2.07 0.00 114 H 7.73 4.94 0.00 3.38 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.89 4.19 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 0.00 116 S 8.20 4.30 0.00 4.09 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 0.00 117 K 8.43 4.06 0.00 1.96 1.77 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.53 7.81 118 Y 7.95 4.48 0.00 3.35 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.97 4.87 0.00 1.90 1.67 0.74 0.78 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 0.00 120 A 7.89 4.12 1.47 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 0.00 121 F 8.58 4.43 0.00 3.28 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.48 4.16 4.88 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 1.15 0.00 0.00 123 C 8.81 4.54 0.00 3.33 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.10 3.65 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 0.00 0.00 0.00 125 L 7.94 4.04 0.00 1.89 1.89 0.74 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 126 I 7.74 3.63 2.14 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.87 0.94 0.00 0.00 127 R 8.13 4.05 0.00 2.12 2.30 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.78 0.00 128 G 8.87 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 0.00 0.00 0.00 129 G 8.11 3.29 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 0.00 130 L 8.00 3.93 0.00 1.77 1.75 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.26 4.32 0.00 4.22 3.89 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 0.00 132 N 7.92 4.55 0.00 2.76 2.81 0.00 0.00 7.07 7.35 0.00 0.00 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 L 7.12 4.52 0.00 1.56 1.45 0.39 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.05 3.97 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 0.00 0.00 0.00 135 I 8.13 4.49 1.82 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 1.43 0.91 0.00 0.00 136 K 8.66 4.57 0.00 1.73 1.74 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.46 7.81 137 S 8.55 5.11 0.00 3.90 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 0.00 138 I 8.76 4.50 1.90 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 1.12 0.70 0.93 0.00 0.00 139 V 8.57 4.98 2.35 0.00 0.00 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 1.04 0.00 0.00 140 T 9.03 4.96 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 1.24 0.00 0.00 141 A 8.23 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.69 4.70 0.00 1.93 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 2.09 2.18 0.00 143 V 8.26 4.15 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 0.76 0.00 0.00 1.06 0.00 0.00 144 S 8.63 4.23 0.00 3.97 3.98 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 0.00 145 S 8.09 4.31 0.00 3.86 3.74 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 0.00 146 M 8.35 3.96 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 147 P 0.00 4.63 0.00 2.31 2.28 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.98 0.00 148 A 9.05 5.23 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 0.00 149 C 7.42 5.16 0.00 3.27 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 0.00 150 K 8.30 5.02 0.00 1.54 1.62 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.31 7.81 151 F 9.33 5.04 0.00 2.94 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 0.00 152 Q 9.38 4.98 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 153 V 9.11 4.66 2.22 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 0.79 0.00 0.00 1.00 0.00 0.00 154 M 8.94 5.02 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 155 I 8.47 4.69 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 1.01 0.00 0.00 156 Q 9.04 4.37 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 157 K 8.30 4.38 0.00 1.74 1.78 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.43 7.81 *158 L 8.34 4.14 0.00 1.41 1.48 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.