NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3098 8.3449 119.6857 55.8887 30.0461 175.4512 7 E 4.0161 7.8939 116.5042 56.7129 30.6347 176.2027 8 A 3.9023 8.0040 124.0037 51.5808 19.7984 176.7160 9 A 4.0594 8.4766 125.6745 51.8854 18.9450 176.9108 10 N 4.7418 8.9139 122.3555 54.0425 39.4024 173.9244 11 A 4.9189 9.4668 128.3949 49.9911 22.3082 175.5288 12 A 4.3409 8.4178 121.2281 50.7104 19.5748 177.6572 13 I 4.1116 8.5139 123.3439 61.9566 36.2922 175.8065 14 E 4.4298 8.3084 124.4515 53.0746 30.4721 173.9786 15 P 4.0280 0.0000 0.0000 62.3723 31.8141 174.8496 16 A 4.6506 7.8834 119.1382 49.4784 23.5806 176.6774 17 S 3.9569 8.2063 114.7633 62.3870 62.5187 176.2270 18 F 4.2982 7.5229 120.8341 60.6887 38.3936 177.3171 19 V 3.6435 8.0232 116.5140 66.7990 31.3378 178.0420 20 K 4.2407 7.7613 117.4916 57.9285 33.1816 177.8801 21 V 4.3662 7.7721 120.0272 59.5366 31.5392 176.2028 22 P 5.6714 0.0000 0.0000 60.4938 31.0515 175.8972 *24 P 4.4805 0.0000 0.0000 62.3129 32.9235 176.4237 25 E 4.8025 7.7364 115.6282 52.8038 33.2554 173.5331 26 P 4.5029 0.0000 0.0000 61.1802 32.6627 174.9575 27 P 4.2757 0.0000 0.0000 63.2064 32.9263 177.5829 28 S 3.8579 8.2296 117.0016 61.4678 63.4255 176.7450 29 S 3.9828 8.0055 118.5567 60.7964 62.5166 176.4556 30 L 3.5840 7.4676 121.9944 57.2051 41.3836 178.8530 31 Q 3.8009 8.1828 119.9406 59.2360 28.8752 178.4069 32 Q 3.8139 8.3838 120.8788 58.9089 28.9969 177.9047 33 L 3.4856 7.3281 120.8823 57.8935 41.9528 178.8707 34 I 3.4852 7.8249 120.0142 64.4292 37.1449 178.1913 35 N 4.3028 8.2082 117.2332 56.4762 38.1976 177.2446 36 D 4.4521 8.2575 119.1834 57.0417 41.0828 178.1832 37 W 4.6166 8.3483 116.3004 55.6860 30.5929 175.8497 38 Q 3.3878 7.6072 119.1968 56.9415 27.1043 173.0271 39 L 4.7779 8.2533 117.6154 53.9492 43.5881 178.1813 40 I 4.6278 8.1112 123.9190 59.0767 40.1002 175.0186 41 K 3.9258 8.5429 127.1946 56.6766 32.5812 176.1070 42 H 4.4602 9.6750 128.3204 55.4155 30.8006 175.5173 43 R 3.7272 8.2906 126.1273 59.8214 29.8318 177.4252 44 E 4.0652 8.1904 114.4036 56.6926 29.7542 176.9426 45 G 4.1475 7.9493 105.9587 46.7333 0.0000 174.4484 46 G 3.8987 9.1674 107.7622 44.9534 0.0000 171.7451 47 Y 5.5714 8.6914 115.4876 56.5718 41.9874 175.2259 48 F 6.0945 9.1337 115.5615 57.5728 42.3501 172.5409 49 K 4.0278 8.4252 115.5737 55.4624 35.3846 173.5002 50 E 4.6557 8.8416 129.1311 56.2400 29.2938 175.7856 51 T 4.2409 8.4247 125.1251 65.5740 69.7839 175.4489 52 D 4.5971 7.7699 120.2926 52.6031 44.9223 174.1655 53 R 4.8380 8.4420 125.7009 54.1202 31.8020 173.9705 54 S 4.0267 8.6427 120.0137 58.1895 62.3125 173.0518 55 P 4.2454 0.0000 0.0000 64.6934 31.7474 176.3273 56 Y 4.4421 7.3402 116.9679 57.2959 38.9952 174.9803 57 T 5.5975 7.9371 112.8602 59.1484 71.3570 172.2838 *59 E 4.3381 8.5202 119.1522 56.9351 30.5208 175.6890 60 V 4.4960 9.0500 123.3988 60.9713 35.1333 174.1170 61 E 4.4326 8.7249 126.9754 55.1724 30.5463 175.1487 62 K 4.7548 8.7370 128.1480 53.7800 35.5212 173.8594 63 P 4.9714 0.0000 0.0000 63.0804 32.2323 176.2539 64 V 4.3245 8.2906 115.2257 63.1833 35.5350 175.1246 *69 G 3.7201 7.6825 106.4563 46.8268 0.0000 167.3918 70 N 4.3762 9.0016 127.1778 53.2922 40.0251 174.3192 71 T 5.2449 8.0459 113.9055 60.7410 73.0025 171.9857 72 E 4.2658 9.0413 118.3560 55.8371 32.2108 173.7866 *74 V 4.1546 8.1604 116.6037 63.4783 33.1934 175.5047 75 T 4.7628 8.4086 123.0669 62.6339 69.7362 174.3192 76 R 4.7717 8.2691 123.1186 54.0803 35.0621 174.4282 77 N 4.5749 8.6278 118.3801 53.4299 39.3711 176.2321 78 Q 4.2056 9.1231 121.7943 59.2765 30.0828 176.6018 79 S 5.0488 7.6014 110.3952 57.7036 66.1065 174.6775 80 T 5.1724 8.5722 111.2189 59.8853 72.0528 172.3651 81 L 5.1228 9.0606 125.6597 53.6485 45.3619 175.0867 82 I 5.0777 8.0918 124.0908 60.2156 42.4139 173.3747 83 Y 5.2709 8.9135 123.2899 56.8892 39.6390 173.9997 84 Y 5.5290 9.5033 126.5619 55.7392 41.8410 173.9277 85 L 5.0459 8.8857 128.4180 53.2399 45.6364 174.7394 86 L 5.1557 8.9733 126.4656 53.2710 44.2556 175.6304 87 T 4.9782 8.6149 112.5233 58.8705 72.1517 173.2030 88 P 3.9029 0.0000 0.0000 64.9410 31.0532 176.5475 89 D 4.7074 7.3533 115.7787 53.8917 40.6496 177.2566 90 S 4.7264 8.5011 114.0992 57.5196 64.1647 172.2177 91 P 4.8199 0.0000 0.0000 62.6902 32.7247 176.4050 92 I 4.9852 7.7165 121.3206 59.8677 41.2802 174.5594 93 G 4.1000 10.0945 115.0412 44.3957 0.0000 172.8839 94 K 4.5332 8.9320 127.0075 55.7958 32.8855 177.1020 95 F 4.6620 8.0946 121.9162 57.0438 39.3553 175.0078 96 H 5.1384 9.0199 115.5994 55.1098 31.2302 173.5944 97 K 4.7516 8.9899 121.0719 54.9744 34.5136 175.5037 98 N 5.3422 8.1652 116.2817 53.9541 41.2594 174.6095 99 I 3.7157 8.7268 127.5422 64.3312 38.1495 175.5533 100 N 5.0416 8.0175 116.7262 51.0325 40.7952 175.5483 101 R 4.4287 8.4575 117.4154 56.5335 30.7897 175.8501 102 I 4.6687 8.3769 121.5308 59.6257 40.9384 174.5551 103 I 4.3141 8.3552 127.9406 60.8340 38.7251 174.5261 104 H 4.8183 8.6027 123.7739 53.6356 31.9117 173.0218 105 I 4.7839 8.1295 122.9165 58.9736 40.3565 174.7539 106 L 4.5596 9.3578 130.7235 55.9064 42.0906 175.7994 107 Q 4.7858 9.0077 122.7517 57.3776 31.4181 175.6533 108 R 4.6397 8.2685 115.8506 55.9492 34.9908 176.8373 109 G 4.9259 8.9452 108.0575 45.9413 0.0000 172.9761 110 K 4.7867 8.2937 116.6506 55.5398 37.1995 175.5853 111 G 2.7083 7.8499 108.2784 45.4164 0.0000 171.5613 112 Q 4.5652 7.7071 119.6280 54.2751 32.6046 173.4010 113 Y 4.5151 8.1167 122.6842 55.9807 41.7173 175.0763 114 V 4.6977 8.6916 121.6780 61.4978 34.7420 174.2037 115 L 5.4806 9.3690 128.5463 53.2636 44.9118 176.3850 116 V 4.4996 8.6237 121.0448 61.4174 34.0282 174.2658 117 Y 4.3589 9.4886 127.1782 56.6277 38.4357 175.6197 118 P 3.8415 0.0000 0.0000 65.3657 31.1912 176.3051 119 D 4.4942 8.1228 116.7723 54.7205 41.4909 176.3158 120 G 4.5546 9.2163 108.0180 45.7208 0.0000 173.9657 121 Q 4.0308 8.0951 121.0092 56.9309 30.0911 175.7414 122 V 5.3718 8.3876 124.8449 60.3191 33.5698 174.4924 123 K 4.8094 8.8602 127.1779 55.4154 34.9076 175.7545 124 S 5.2145 8.6075 116.3892 57.1923 66.1655 172.9114 125 F 5.3831 8.2391 120.6024 55.3982 42.1529 173.1124 126 K 4.7084 8.6151 117.8925 54.7291 34.8164 175.4854 127 V 4.9566 7.7318 124.4791 60.6632 33.2971 175.0762 128 G 4.1573 7.9982 113.4402 46.6274 0.0000 172.7935 129 F 4.7233 9.1458 116.8495 57.7005 39.9486 177.0020 130 D 4.7338 8.3771 123.6135 52.8950 39.4904 176.1226 131 Y 4.6653 8.0001 120.5838 58.4468 38.7775 178.4106 132 K 3.9712 6.5565 117.1364 57.3873 32.1495 176.1783 133 N 4.9430 7.7703 114.8013 53.6861 39.7405 176.1951 134 G 3.9401 8.3401 105.5986 45.6926 0.0000 174.8243 135 E 4.3302 7.6425 119.7293 56.1734 30.3588 175.7893 136 V 4.6678 8.7686 122.8537 61.3018 34.4123 175.9041 137 S 4.7904 8.6760 119.6130 58.3898 64.7422 173.3057 138 Q 5.4090 8.1368 118.1077 55.1706 31.1664 173.7461 139 W 5.2196 8.8179 119.4657 55.0512 32.0908 173.5017 140 V 4.6767 8.4784 122.4539 61.3316 32.9173 174.6302 141 V 4.3825 8.3790 128.5442 60.5747 33.3317 173.3175 142 P 4.5969 0.0000 0.0000 62.4227 32.3304 176.3431 143 G 3.8966 8.0789 110.6476 47.1722 0.0000 172.2525 144 G 4.0870 8.8260 109.3437 44.9026 0.0000 174.5214 145 V 3.7578 7.2770 119.0607 62.1739 33.1723 175.2550 146 F 5.0552 8.4557 126.2894 56.6883 40.5453 174.7825 147 K 5.4620 9.3805 122.4741 55.1432 35.6003 175.0228 148 A 5.0117 8.9103 123.8870 50.2129 22.0892 174.9169 149 S 4.5721 9.0941 113.9286 56.6823 66.9791 172.9254 150 F 4.9270 8.1746 115.2544 54.9911 41.4452 173.5979 151 L 4.4042 9.0610 123.2546 55.3918 42.8559 176.2026 152 L 4.9876 7.8850 124.2953 51.9046 44.3852 174.6857 153 P 4.7748 0.0000 0.0000 64.0530 31.4795 175.1198 154 N 4.8040 9.2247 118.1747 52.5746 40.6160 174.7117 155 E 4.2857 8.8376 120.2630 57.9534 30.9412 177.5188 156 E 3.9773 8.3749 118.5730 58.8529 29.8308 177.7914 157 F 5.0724 8.0022 119.7381 59.8724 40.3523 173.8830 158 D 4.3269 8.9419 114.5269 55.5295 39.9843 172.3425 159 N 4.3350 7.6513 108.0341 53.8308 37.1894 174.7498 160 G 4.0713 7.9156 103.4306 44.4647 0.0000 173.3273 161 F 5.5323 9.1371 121.9234 57.0152 42.4569 172.5955 162 L 5.2981 9.1428 129.5904 53.2015 44.6637 175.2754 163 I 5.1804 8.9155 118.8430 59.4814 41.9783 173.8487 164 S 5.8711 8.6935 116.7901 55.7977 66.5390 173.4204 165 E 4.8696 8.5676 121.5946 54.4489 33.1767 174.6778 166 V 4.5919 8.3945 124.0999 60.9640 34.4771 174.2001 167 V 4.8225 8.4024 127.6611 60.9680 34.2549 174.7015 168 V 4.8788 8.1994 126.7347 59.5382 33.6485 173.1806 169 P 4.6295 0.0000 0.0000 61.4682 32.1014 176.4428 170 G 3.7967 9.0128 109.3521 46.1561 0.0000 173.4988 171 F 4.0651 8.6406 125.2675 58.5709 40.0739 174.2589 172 D 4.2450 7.0261 125.1494 51.8948 44.4189 176.2569 173 F 4.1368 8.1170 123.3313 60.3698 39.2185 177.5380 174 E 4.0904 8.7945 120.0254 59.1721 29.5158 177.7286 175 D 4.4637 7.9850 117.5463 55.6079 41.1825 174.9498 176 H 5.5481 7.5630 119.6328 54.9228 32.1835 173.5884 177 T 4.9126 7.9216 111.6721 60.9152 71.9024 172.4249 178 F 5.2885 8.4884 118.3759 54.9514 40.1866 174.1840 179 L 4.2159 8.5010 123.4466 55.2346 40.1203 176.7888 180 K 4.3634 8.5458 119.9301 55.6785 34.2607 177.8677 181 G 3.8112 8.1864 108.6950 46.9069 0.0000 172.5280 182 E 4.3885 8.3867 116.3087 56.6306 30.2933 178.3668 183 D 4.3504 8.0394 118.8384 58.1854 40.9919 178.2781 184 E 4.0040 7.6624 119.6880 58.9533 29.6966 178.5376 185 L 3.8511 7.6520 120.2287 57.6514 42.1247 178.9672 186 K 4.3182 8.4247 120.3212 59.0639 31.8277 178.8436 187 H 4.9161 7.6897 113.8874 56.0871 29.6231 176.3507 188 L 4.7601 8.2928 120.2396 54.9957 45.7595 176.6117 189 V 4.6477 7.8094 116.2909 60.6306 34.8896 173.5480 190 G 3.9321 8.8021 113.2464 45.6344 0.0000 172.6398 191 P 4.2789 0.0000 0.0000 65.6384 31.1661 178.0306 192 E 4.1208 8.0729 117.8404 59.0568 29.6346 178.4479 193 K 3.9259 8.0718 120.9138 58.4094 32.2768 178.7594 194 A 3.8702 8.4829 121.4473 54.9691 18.1049 179.0201 195 A 4.4634 7.5655 119.5528 54.8398 18.4360 179.1842 196 E 4.0946 7.6009 115.7721 58.9141 30.2285 178.2672 197 L 4.7396 7.8002 117.5146 55.1248 42.6396 178.3287 198 A 4.4524 8.2019 122.6094 54.2611 19.4408 178.8379 199 F 4.2821 8.9567 110.4136 58.8666 38.1834 175.6149 200 L 4.2318 7.4069 120.4199 54.3719 42.7512 175.7230 201 A 4.8052 7.2506 122.0905 53.0111 18.4483 176.8055 202 H 4.2302 8.5116 119.0684 57.9180 30.1157 173.9779 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 6 Q 8.34 4.31 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 7 E 7.89 4.02 0.00 1.99 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 2.26 2.35 0.00 8 A 8.00 3.90 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 9 A 8.48 4.06 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 10 N 8.91 4.74 0.00 2.78 2.80 0.00 0.00 6.97 7.96 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 11 A 9.47 4.92 1.25 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 0.00 0.00 12 A 8.42 4.34 1.27 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 0.00 0.00 13 I 8.51 4.11 1.97 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 1.54 1.40 1.17 0.00 0.00 14 E 8.31 4.43 0.00 1.90 1.79 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 2.20 2.51 0.00 15 P 0.00 4.03 0.00 1.61 1.59 0.00 3.27 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.22 0.00 16 A 7.88 4.65 1.11 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 0.00 0.00 17 S 8.21 3.96 0.00 3.89 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 18 F 7.52 4.30 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.02 3.64 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 0.95 0.00 0.00 1.06 0.00 0.00 20 K 7.76 4.24 0.00 1.62 1.77 0.00 1.50 0.00 0.00 1.47 0.00 0.00 2.65 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.22 1.14 7.81 21 V 7.77 4.37 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 0.83 0.00 0.00 0.91 0.00 0.00 22 P 0.00 5.67 0.00 2.26 2.02 0.00 3.52 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 *24 P 0.00 4.48 0.00 2.23 2.27 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.01 0.00 25 E 7.74 4.80 0.00 1.91 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 2.20 2.19 0.00 26 P 0.00 4.50 0.00 1.98 2.27 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 27 P 0.00 4.28 0.00 2.31 2.10 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 28 S 8.23 3.86 0.00 4.01 4.08 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 29 S 8.01 3.98 0.00 3.90 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 0.00 30 L 7.47 3.58 0.00 1.57 1.40 0.66 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.18 3.80 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 32 Q 8.38 3.81 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 33 L 7.33 3.49 0.00 1.33 1.39 -0.65 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.82 3.49 1.79 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.27 0.76 0.00 0.00 35 N 8.21 4.30 0.00 2.80 2.84 0.00 0.00 7.09 8.93 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 36 D 8.26 4.45 0.00 2.58 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 37 W 8.35 4.62 0.00 3.22 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 38 Q 7.61 3.39 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 39 L 8.25 4.78 0.00 1.64 1.77 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.11 4.63 1.73 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 1.03 0.00 0.00 41 K 8.54 3.93 0.00 1.38 1.59 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.56 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 0.94 7.81 42 H 9.68 4.46 0.00 3.33 3.43 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.29 3.73 0.00 1.53 1.63 0.00 3.09 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.48 0.00 44 E 8.19 4.07 0.00 2.00 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 2.30 2.08 0.00 45 G 7.95 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 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0.00 0.00 0.00 0.00 1.57 1.53 0.00 77 N 8.63 4.57 0.00 2.72 2.85 0.00 0.00 6.91 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 78 Q 9.12 4.21 0.00 2.06 2.18 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 2.41 2.58 0.00 79 S 7.60 5.05 0.00 3.89 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 80 T 8.57 5.17 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 1.23 0.00 0.00 81 L 9.06 5.12 0.00 1.62 1.60 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.09 5.08 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 1.47 0.69 1.01 0.00 0.00 83 Y 8.91 5.27 0.00 3.10 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 84 Y 9.50 5.53 0.00 3.05 2.90 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 85 L 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1.69 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.36 7.81 127 V 7.73 4.96 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 0.80 0.00 0.00 -0.07 0.00 0.00 128 G 8.00 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 0.00 0.00 0.00 0.00 129 F 9.15 4.72 0.00 3.15 3.21 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 0.00 130 D 8.38 4.73 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.00 4.67 0.00 3.28 3.24 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 0.00 132 K 6.56 3.97 0.00 1.26 1.64 0.00 1.37 0.00 0.00 1.31 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.32 7.81 133 N 7.77 4.94 0.00 2.99 2.71 0.00 0.00 6.92 8.29 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 0.00 134 G 8.34 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 0.00 135 E 7.64 4.33 0.00 2.23 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 2.32 2.38 0.00 136 V 8.77 4.67 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 1.05 0.00 0.00 0.88 0.00 0.00 137 S 8.68 4.79 0.00 3.59 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 0.00 138 Q 8.14 5.41 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 139 W 8.82 5.22 0.00 3.22 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 0.00 140 V 8.48 4.68 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 0.78 0.00 0.00 0.89 0.00 0.00 141 V 8.38 4.38 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 0.95 0.00 0.00 1.14 0.00 0.00 142 P 0.00 4.60 0.00 2.16 2.01 0.00 3.66 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 143 G 8.08 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 0.00 144 G 8.83 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 0.00 145 V 7.28 3.76 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 0.45 0.00 0.00 0.50 0.00 0.00 146 F 8.46 5.06 0.00 3.09 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 0.00 147 K 9.38 5.46 0.00 2.05 2.02 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.38 7.81 148 A 8.91 5.01 -0.15 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 0.00 149 S 9.09 4.57 0.00 2.78 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 0.00 150 F 8.17 4.93 0.00 3.12 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 0.00 151 L 9.06 4.40 0.00 1.76 1.75 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.89 4.99 0.00 1.39 1.50 0.81 1.13 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 0.00 153 P 0.00 4.77 0.00 2.19 2.40 0.00 3.91 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 2.06 2.03 0.00 154 N 9.22 4.80 0.00 2.86 2.97 0.00 0.00 6.29 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 0.00 155 E 8.84 4.29 0.00 2.05 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 0.00 2.34 2.30 0.00 156 E 8.37 3.98 0.00 2.05 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 0.00 2.48 2.44 0.00 157 F 8.00 5.07 0.00 3.08 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 0.00 158 D 8.94 4.33 0.00 2.60 2.33 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 0.00 159 N 7.65 4.34 0.00 2.65 2.51 0.00 0.00 6.71 6.95 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 0.00 160 G 7.92 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 0.00 161 F 9.14 5.53 0.00 3.20 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 0.00 162 L 9.14 5.30 0.00 1.80 1.33 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.92 5.18 1.99 0.00 0.00 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 1.42 1.30 0.85 0.00 0.00 164 S 8.69 5.87 0.00 3.71 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.57 4.87 0.00 1.75 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 166 V 8.39 4.59 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 0.93 0.00 0.00 0.82 0.00 0.00 167 V 8.40 4.82 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 1.02 0.00 0.00 0.92 0.00 0.00 168 V 8.20 4.88 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 0.74 0.00 0.00 0.95 0.00 0.00 169 P 0.00 4.63 0.00 1.92 2.02 0.00 3.72 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 170 G 9.01 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 0.00 171 F 8.64 4.07 0.00 2.91 2.90 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 0.00 172 D 7.03 4.25 0.00 2.33 2.26 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 0.00 173 F 8.12 4.14 0.00 3.22 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 0.00 174 E 8.79 4.09 0.00 1.85 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 2.37 2.50 0.00 175 D 7.99 4.46 0.00 2.55 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 0.00 176 H 7.56 5.55 0.00 3.41 3.56 0.00 5.99 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 T 7.92 4.91 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 1.27 0.00 0.00 178 F 8.49 5.29 0.00 3.24 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 0.00 179 L 8.50 4.22 0.00 1.72 0.99 0.69 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.55 4.36 0.00 1.74 1.68 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.23 1.10 7.81 181 G 8.19 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 E 8.39 4.39 0.00 2.06 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 2.38 0.00 183 D 8.04 4.35 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 E 7.66 4.00 0.00 2.15 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 2.23 2.31 0.00 185 L 7.65 3.85 0.00 1.65 1.72 1.04 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.42 4.32 0.00 1.94 1.71 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 187 H 7.69 4.92 0.00 3.15 3.30 0.00 5.61 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 L 8.29 4.76 0.00 1.85 1.61 1.03 0.67 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 0.00 189 V 7.81 4.65 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 0.94 0.00 0.00 0.92 0.00 0.00 190 G 8.80 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 0.00 0.00 0.00 191 P 0.00 4.28 0.00 2.22 2.19 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 192 E 8.07 4.12 0.00 2.23 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 2.26 2.37 0.00 193 K 8.07 3.93 0.00 1.92 1.89 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.64 7.81 194 A 8.48 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 7.57 4.46 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 E 7.60 4.09 0.00 2.03 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 0.00 2.46 2.39 0.00 197 L 7.80 4.74 0.00 1.85 1.93 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 198 A 8.20 4.45 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.96 4.28 0.00 3.16 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 0.00 200 L 7.41 4.23 0.00 1.04 0.82 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 201 A 7.25 4.81 1.16 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 0.00 0.00 202 H 8.51 4.23 0.00 3.19 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.