NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3399 8.4449 116.7522 55.3980 31.4337 175.2578 4 I 3.9177 8.2383 125.5792 58.5769 37.7775 175.2305 5 T 4.2891 9.4664 117.7412 61.0445 71.8947 175.3923 6 E 3.9602 8.6168 121.0205 59.5848 29.3992 179.8081 7 S 4.1738 8.0044 113.8735 61.2568 63.2562 176.2513 8 E 4.1339 8.2228 122.2681 59.2615 29.1539 179.2477 9 R 3.8507 8.2916 118.6719 59.2324 30.1403 178.2594 10 A 3.9765 8.2543 120.8096 55.4496 18.2740 179.0546 11 Y 4.0304 8.2369 118.0129 61.0527 38.6794 177.5027 12 H 3.6738 8.2205 118.1928 59.1753 30.0335 176.8896 13 L 4.0121 7.9445 120.0086 57.6265 41.8116 179.1023 14 R 4.0011 7.9379 118.6855 59.2036 29.9306 179.1369 15 K 3.7722 7.3352 114.1712 57.2320 31.3651 178.4685 *17 K 4.1636 7.9456 122.4135 56.7775 33.9038 177.1904 18 T 4.0051 7.7489 114.3631 66.7192 68.6618 176.6317 19 R 3.4137 7.8255 118.1968 56.9559 29.4074 177.8876 *21 Q 4.3385 8.0804 117.2865 55.4527 30.6026 177.7272 22 R 4.0765 7.6877 115.5360 58.6420 30.2447 178.0683 23 V 3.9007 7.7483 116.5864 65.1054 32.3725 176.0665 24 D 4.7227 7.6520 121.0644 53.1184 39.1018 176.6724 25 V 3.7627 7.8710 122.1103 63.4627 32.1846 178.0169 26 T 4.2607 7.9506 108.5457 60.7038 69.3076 174.6776 27 G 3.9140 7.8390 109.9623 46.9971 0.0000 174.1514 28 D 4.6006 8.5684 117.1972 52.7631 40.2065 177.1096 29 G 3.8398 9.2837 109.5034 45.4485 0.0000 172.8341 30 F 5.3732 8.3301 117.0131 55.4992 42.9146 174.1519 31 I 5.1859 9.0865 114.5227 59.6507 41.8684 173.7288 32 S 4.8172 8.9338 116.5758 55.9297 66.8221 174.9207 33 R 3.9875 8.9838 119.4176 59.8864 29.6191 178.0940 34 E 4.2044 8.2258 116.5215 59.3881 29.4300 178.4764 35 D 4.4191 7.7352 119.4480 57.4799 41.0329 177.8480 36 Y 4.4782 8.1115 119.5435 60.9003 38.8099 177.7204 37 E 3.9024 8.5437 119.5739 59.1964 29.4116 179.0165 38 L 3.8520 8.0210 120.4954 58.1051 42.0025 179.0610 39 I 3.4552 7.3890 119.4768 64.3473 37.0319 178.2227 40 A 3.1891 7.0368 120.8516 54.7856 18.0777 179.6717 41 V 3.4210 7.7523 116.8884 66.1720 31.5971 178.5253 42 R 3.8200 8.0100 117.9551 59.0645 29.8087 179.0948 43 I 3.4977 7.7466 119.5545 64.3577 37.1747 178.2981 44 A 3.9801 7.9820 121.5721 54.8814 18.2368 179.6482 45 K 3.8175 7.9259 118.0936 59.7836 32.1493 179.0254 46 I 3.6788 7.4218 117.2236 63.7602 38.0168 177.0176 47 A 4.1836 7.9844 119.3088 51.6913 19.1379 176.9261 48 K 3.7717 7.7072 115.4256 57.0545 30.3086 175.8563 49 L 4.1518 7.7962 117.3707 54.3235 42.6467 178.6443 50 S 4.3227 8.4630 116.8017 58.1408 64.9694 175.1979 51 A 4.0011 8.5331 124.1502 55.4098 18.0490 179.6969 52 E 3.8724 8.0700 117.0496 59.5017 29.8488 179.1019 53 K 4.0157 8.0768 118.3291 59.2910 32.0073 179.1715 54 A 3.9720 8.5146 121.5350 55.2483 18.2923 179.3659 55 E 3.8858 8.3315 117.7576 59.3155 29.7250 178.7715 56 E 4.0450 8.3146 118.7466 59.6629 29.5244 179.4869 57 T 3.9774 8.1275 115.7210 66.6579 68.4893 176.4935 58 R 3.9005 8.1721 120.7208 59.8154 30.0531 178.5250 59 Q 4.0473 8.6386 118.0632 58.8864 28.6702 178.5261 60 E 4.0003 8.4944 120.4482 59.3297 29.7442 178.7637 61 F 3.9922 8.6743 117.9010 60.6366 38.9472 177.6906 62 L 4.2452 8.5311 118.9075 57.6322 41.0468 179.4522 63 R 3.9182 8.2959 118.8484 59.5483 30.0881 178.8239 64 V 3.6557 8.0216 117.7784 65.8559 31.4356 177.5714 65 A 3.8174 8.7027 121.0161 55.3886 18.2290 179.2645 66 D 4.3100 8.2048 117.1096 57.8229 40.7131 179.1844 67 Q 4.0506 7.5236 115.8781 58.7193 28.7999 178.1412 68 L 4.1987 7.6827 117.7313 54.9676 41.7734 177.8721 69 G 3.8378 7.5541 106.6333 45.9959 0.0000 175.0777 70 L 4.2972 7.7527 120.6062 53.1042 40.5388 176.7885 71 A 4.2124 7.3968 123.5207 50.9411 19.7081 175.6359 72 P 4.3763 0.0000 0.0000 64.4165 31.7349 177.3463 73 G 4.0223 8.9595 110.6582 45.5339 0.0000 173.9636 74 V 4.1319 7.1412 111.7411 60.3653 32.8622 175.3900 75 R 4.8993 8.3380 121.5604 54.7545 32.4433 174.1961 76 I 5.0320 8.6260 119.5765 58.6151 41.4889 175.2320 77 S 3.9031 8.5307 117.4544 58.1334 63.8336 175.5873 78 V 3.5408 8.2136 115.1842 64.6391 31.1401 178.6759 79 E 3.8918 7.8918 118.5891 58.8171 29.5517 178.2342 80 E 3.8370 8.3268 119.5639 59.1661 29.6500 178.6608 81 A 3.9237 8.0295 120.6047 54.9532 18.3147 179.4106 82 A 3.8148 8.0589 119.3586 55.2749 18.4098 179.9614 83 V 3.4732 7.9265 116.8531 66.2675 31.5427 177.9506 84 N 4.2905 8.1922 115.9310 56.1151 38.2839 177.1960 85 A 3.9139 8.1182 122.1945 55.5222 18.5411 179.8242 86 T 3.7813 8.0129 114.2657 66.8455 68.3140 176.6281 87 D 4.3548 8.1926 120.0996 57.2747 40.9245 178.8427 88 S 4.2620 8.1665 114.6326 61.6485 62.8862 176.5645 89 L 4.1963 8.0002 122.3018 57.1775 41.4242 178.6135 90 L 4.2748 7.8463 116.3389 56.2561 41.8634 177.0097 91 K 4.1916 7.3070 119.1228 56.4347 32.3656 176.6177 *93 K 4.0270 7.9453 115.6973 56.8550 34.6219 177.9546 94 G 3.6968 8.0736 110.4294 46.4413 0.0000 177.1800 95 E 3.9863 8.8479 126.2237 58.5968 29.6078 178.1873 96 E 4.0447 7.9675 117.9891 59.3442 29.6286 178.6454 97 K 4.1429 7.8829 117.1543 59.1376 32.1738 178.7284 98 A 4.1567 7.7197 120.5513 52.3747 17.4377 178.9271 *100 A 4.3313 7.9951 123.7406 53.4770 20.5716 179.4200 101 V 4.2879 7.4852 107.7223 61.4787 32.0041 177.8038 102 I 3.7335 7.7462 120.8160 64.5402 36.7470 177.4974 103 Q 3.9955 8.0913 118.5173 59.5915 28.9445 178.3407 104 S 4.5515 8.1023 114.2648 61.6148 63.2612 176.1974 105 L 4.3867 8.4244 122.0051 57.5593 41.3400 179.8199 106 I 3.9112 8.0151 116.8823 62.3009 36.5137 177.1456 *108 Y 3.7621 7.7945 122.6730 57.5480 40.2379 176.6997 109 D 4.4551 8.1849 118.0639 57.6881 41.0922 177.9868 110 C 4.2588 7.6974 115.5891 62.7005 28.3597 175.3228 111 I 3.5677 6.8415 119.4209 64.0474 36.9996 176.3122 112 D 4.4343 7.5057 121.8831 53.2504 39.0784 176.3320 113 T 3.9002 8.5434 114.3347 63.9678 69.2040 176.3699 114 D 4.4796 8.0605 119.4623 54.1381 41.3885 175.9598 115 K 3.9825 7.6933 117.9518 57.8792 29.9360 175.4096 116 D 4.7933 8.6524 114.7538 52.8265 40.3625 176.5279 117 G 3.8621 9.3791 108.5825 46.1772 0.0000 172.5073 118 Y 5.5273 7.9492 114.4949 54.9223 42.1058 175.2940 119 V 4.8253 8.9791 115.3768 59.7265 35.7262 175.8611 120 S 4.9595 9.4296 120.4889 57.1933 65.3109 175.1183 121 L 2.6773 8.0574 120.5280 57.5478 41.5561 176.7200 122 P 4.2019 0.0000 0.0000 65.7223 31.2327 178.3387 123 E 3.9435 7.9213 116.9943 59.3829 29.3488 179.2225 124 F 4.0809 8.4206 120.6350 61.2353 39.4870 177.0030 125 K 4.0542 8.8699 119.4358 59.5215 32.0447 178.5293 126 A 3.9573 8.0917 121.0547 55.0409 18.3085 179.4499 127 F 3.8654 8.2098 119.0902 61.3798 39.4624 177.1588 128 L 3.7789 8.1686 120.3182 58.1574 42.0224 178.5941 129 Q 4.1903 8.3299 116.8604 57.5711 28.4992 178.2592 130 A 3.8675 7.2328 121.4589 55.1862 18.6326 179.8040 131 V 3.7058 7.2752 109.7287 62.7702 33.0034 177.0851 132 G 4.0701 7.9832 107.6990 42.5815 0.0000 171.2226 133 P 4.7583 0.0000 0.0000 64.7473 31.9243 178.3610 134 D 4.4396 7.8996 117.6597 55.0357 39.8268 176.2389 135 L 4.2258 7.7617 121.8165 54.0388 42.2336 177.6232 136 T 4.0926 8.3608 114.4873 61.5632 70.6744 174.7445 137 D 4.3902 8.6802 122.0609 57.7082 40.7661 178.5561 138 D 4.3678 8.1590 117.7743 57.5410 41.1973 178.4511 139 K 3.9928 8.1600 118.4845 59.4982 32.0573 179.2782 140 A 4.1780 8.2281 121.0270 55.2720 18.2253 179.8035 141 I 3.8778 8.2565 118.6925 64.5829 37.2174 178.5752 142 T 3.9189 8.3186 117.0706 66.8112 68.3014 176.0096 143 C 4.1736 8.2315 120.3708 62.4892 31.5972 175.1478 144 F 3.0424 8.2284 122.1601 61.1685 38.6423 176.4408 145 N 4.2283 8.3106 115.2410 57.1267 38.7674 176.6258 146 T 4.0630 7.6947 115.9780 66.6868 68.6998 176.6779 147 L 4.2499 7.7963 119.4432 56.6806 43.1623 178.2281 148 D 4.2922 7.6576 120.8505 53.2198 37.2444 176.6099 149 F 4.3326 7.2914 115.5915 58.8912 38.9802 176.8421 150 N 4.5580 7.5655 116.7751 52.5691 39.1962 174.5368 151 K 3.9208 7.6162 117.3630 57.8450 29.6588 175.1359 152 N 4.6284 8.8578 114.1247 52.5830 39.6061 177.4196 153 G 4.3846 9.7383 106.7841 45.5781 0.0000 173.3245 154 Q 5.1233 7.5151 115.1316 55.0817 32.0276 173.7154 155 I 4.7045 8.8107 122.4673 59.5544 39.6921 175.7979 156 S 4.5883 9.2785 122.4337 57.7483 64.3755 175.4503 157 R 2.5554 8.2503 120.7839 59.5126 29.6729 178.5272 158 D 4.2891 7.8000 117.9382 57.3850 40.7009 178.5521 159 E 4.1252 8.1695 119.1141 59.2941 29.3755 179.0719 160 F 4.1575 8.3614 120.8647 61.3522 39.3898 176.9420 161 L 3.8700 8.1903 119.9925 57.8749 41.7755 179.0470 162 V 3.5450 7.7900 118.3628 66.3061 31.4184 178.1677 163 T 3.6567 7.4629 115.4168 66.4168 68.1373 176.7371 164 V 3.2181 7.1955 120.0411 66.0804 31.5148 177.7654 165 N 4.5257 8.3093 116.3223 56.4533 38.4005 176.9581 166 D 4.3541 8.2624 119.4456 57.1620 41.1037 178.0639 167 F 4.0754 8.3355 120.5223 61.4769 39.5847 176.9029 168 L 3.9006 8.1749 117.4959 56.6163 41.4601 177.8103 169 F 4.9549 8.0114 114.3105 56.8009 40.9756 175.9355 170 G 3.8096 8.1414 110.8023 45.6868 0.0000 173.6377 171 L 4.5981 8.5612 122.4921 54.6837 43.0326 176.3665 172 E 4.5942 7.8055 117.2051 53.7377 31.9489 175.3230 173 E 3.7042 8.2263 122.5716 55.7882 30.4019 176.5991 174 T 4.7301 8.1851 114.3200 58.9725 73.2629 174.7303 175 A 4.0219 8.5648 123.5356 55.3953 18.6741 179.8591 176 L 4.1196 7.8515 116.6968 58.0170 41.6358 179.4665 177 A 4.4370 8.0267 119.4288 55.2330 18.4526 179.0320 178 N 4.6644 8.6558 113.4184 55.1792 38.8424 176.1964 179 A 4.7150 8.0468 121.6247 52.5736 20.5454 178.0868 180 F 4.3898 8.5146 118.7838 61.4448 39.3366 175.8676 181 Y 4.0999 7.8678 115.3356 57.3285 38.3068 177.2120 182 G 3.9465 8.0451 111.2943 44.5635 0.0000 173.4028 183 D 4.5098 8.5861 118.6058 54.1159 41.2062 176.6725 184 L 4.2086 8.5220 124.1163 54.9699 42.3575 177.0054 185 V 4.2898 8.2355 116.1266 59.9745 33.2112 176.1872 186 D 4.5160 8.5061 121.0293 54.7962 40.7128 176.4839 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 3 E 8.44 4.34 0.00 2.01 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 2.13 1.91 0.00 4 I 8.24 3.92 1.86 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 1.46 1.05 0.91 0.00 0.00 5 T 9.47 4.29 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 1.21 0.00 0.00 6 E 8.62 3.96 0.00 2.00 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 2.40 2.31 0.00 7 S 8.00 4.17 0.00 4.05 4.12 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 8 E 8.22 4.13 0.00 2.21 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 2.62 2.33 0.00 9 R 8.29 3.85 0.00 1.87 2.05 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 10 A 8.25 3.98 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 11 Y 8.24 4.03 0.00 3.08 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 12 H 8.22 3.67 0.00 3.24 3.24 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.94 4.01 0.00 1.74 1.65 0.89 0.90 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 14 R 7.94 4.00 0.00 1.94 1.92 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 15 K 7.34 3.77 0.00 1.26 0.74 0.00 0.98 0.00 0.00 1.19 0.00 0.00 2.22 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.98 0.45 7.81 *17 K 7.95 4.16 0.00 1.88 1.81 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.40 7.81 18 T 7.75 4.01 4.50 0.00 0.00 0.00 0.00 0.00 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 19 R 7.83 3.41 0.00 1.38 1.68 0.00 3.03 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.00 *21 Q 8.08 4.34 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 22 R 7.69 4.08 0.00 2.13 2.10 0.00 3.38 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 23 V 7.75 3.90 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.20 0.00 0.00 24 D 7.65 4.72 0.00 2.80 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 25 V 7.87 3.76 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 0.82 0.00 0.00 0.93 0.00 0.00 26 T 7.95 4.26 4.26 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 1.23 0.00 0.00 27 G 7.84 3.91 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 0.00 0.00 0.00 28 D 8.57 4.60 0.00 2.90 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 29 G 9.28 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 30 F 8.33 5.37 0.00 2.92 2.94 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 31 I 9.09 5.19 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 1.27 0.81 0.94 0.00 0.00 32 S 8.93 4.82 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.98 3.99 0.00 2.04 2.03 0.00 3.40 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 34 E 8.23 4.20 0.00 2.22 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 0.00 2.39 2.36 0.00 35 D 7.74 4.42 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 36 Y 8.11 4.48 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.54 3.90 0.00 2.24 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 2.40 2.63 0.00 38 L 8.02 3.85 0.00 1.85 1.88 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.39 3.46 1.72 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 1.40 0.41 0.75 0.00 0.00 40 A 7.04 3.19 0.71 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 0.00 0.00 41 V 7.75 3.42 2.11 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 0.95 0.00 0.00 0.90 0.00 0.00 42 R 8.01 3.82 0.00 1.84 1.77 0.00 3.06 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 43 I 7.75 3.50 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 1.50 0.44 1.04 0.00 0.00 44 A 7.98 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 3.82 0.00 1.89 1.88 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 46 I 7.42 3.68 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.92 0.00 0.00 47 A 7.98 4.18 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 48 K 7.71 3.77 0.00 1.91 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 49 L 7.80 4.15 0.00 1.64 1.60 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.46 4.32 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.53 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.07 3.87 0.00 2.05 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 2.55 2.41 0.00 53 K 8.08 4.02 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 54 A 8.51 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.33 3.89 0.00 2.18 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 0.00 2.32 2.41 0.00 56 E 8.31 4.04 0.00 2.27 2.03 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 2.36 2.53 0.00 57 T 8.13 3.98 4.40 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 1.23 0.00 0.00 58 R 8.17 3.90 0.00 1.98 2.06 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 59 Q 8.64 4.05 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 60 E 8.49 4.00 0.00 2.18 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 0.00 2.35 2.38 0.00 61 F 8.67 3.99 0.00 3.23 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 62 L 8.53 4.25 0.00 1.93 1.80 0.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.30 3.92 0.00 2.05 2.12 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 64 V 8.02 3.66 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 0.98 0.00 0.00 1.00 0.00 0.00 65 A 8.70 3.82 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.20 4.31 0.00 2.94 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 67 Q 7.52 4.05 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 68 L 7.68 4.20 0.00 1.54 1.52 0.37 0.60 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 69 G 7.55 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 70 L 7.75 4.30 0.00 1.68 1.71 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.40 4.21 1.26 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 0.00 0.00 72 P 0.00 4.38 0.00 2.06 2.04 0.00 3.73 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 2.05 2.13 0.00 73 G 8.96 4.02 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 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0.00 0.00 110 C 7.70 4.26 0.00 2.86 3.09 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 0.00 111 I 6.84 3.57 1.20 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.36 0.74 0.00 0.00 112 D 7.51 4.43 0.00 2.25 2.49 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 0.00 113 T 8.54 3.90 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 1.25 0.00 0.00 114 D 8.06 4.48 0.00 2.82 2.78 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 0.00 115 K 7.69 3.98 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.50 7.81 116 D 8.65 4.79 0.00 2.89 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 0.00 117 G 9.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.95 5.53 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.21 3.87 0.00 3.09 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 0.00 128 L 8.17 3.78 0.00 1.55 1.58 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 129 Q 8.33 4.19 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 130 A 7.23 3.87 1.14 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 0.00 0.00 131 V 7.28 3.71 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 0.02 0.00 0.00 0.73 0.00 0.00 132 G 7.98 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 0.00 133 P 0.00 4.76 0.00 2.15 2.14 0.00 3.31 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 134 D 7.90 4.44 0.00 2.80 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.76 4.23 0.00 1.74 1.66 0.88 0.98 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 0.00 136 T 8.36 4.09 4.26 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 1.22 0.00 0.00 137 D 8.68 4.39 0.00 2.72 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 0.00 138 D 8.16 4.37 0.00 2.80 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 0.00 139 K 8.16 3.99 0.00 2.02 1.89 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 140 A 8.23 4.18 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 0.00 141 I 8.26 3.88 1.99 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 1.52 0.81 0.95 0.00 0.00 142 T 8.32 3.92 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 143 C 8.23 4.17 0.00 3.30 3.47 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 0.00 144 F 8.23 3.04 0.00 2.58 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 0.00 145 N 8.31 4.23 0.00 2.92 3.04 0.00 0.00 7.36 8.27 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 0.00 146 T 7.69 4.06 4.30 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 1.27 0.00 0.00 147 L 7.80 4.25 0.00 1.67 1.74 1.10 1.41 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 0.00 148 D 7.66 4.29 0.00 1.81 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 0.00 149 F 7.29 4.33 0.00 3.06 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 0.00 150 N 7.57 4.56 0.00 2.51 2.83 0.00 0.00 7.04 7.61 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 0.00 151 K 7.62 3.92 0.00 1.86 1.84 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.39 1.54 7.81 152 N 8.86 4.63 0.00 2.69 2.80 0.00 0.00 7.03 8.53 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 0.00 153 G 9.74 4.38 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 0.00 154 Q 7.52 5.12 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 155 I 8.81 4.70 2.03 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.30 1.03 0.00 0.00 156 S 9.28 4.59 0.00 3.52 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 0.00 157 R 8.25 2.56 0.00 1.46 1.66 0.00 2.96 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.00 158 D 7.80 4.29 0.00 2.66 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 0.00 159 E 8.17 4.13 0.00 2.04 1.61 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 1.65 2.17 0.00 160 F 8.36 4.16 0.00 3.23 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 0.00 161 L 8.19 3.87 0.00 1.93 1.79 0.97 0.83 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 0.00 162 V 7.79 3.54 2.42 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 0.77 0.00 0.00 1.04 0.00 0.00 163 T 7.46 3.66 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 164 V 7.20 3.22 2.03 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 1.18 0.00 0.00 0.42 0.00 0.00 165 N 8.31 4.53 0.00 2.91 2.98 0.00 0.00 6.74 8.92 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 0.00 166 D 8.26 4.35 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 F 8.34 4.08 0.00 3.21 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 0.00 168 L 8.17 3.90 0.00 1.15 0.72 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 169 F 8.01 4.95 0.00 3.17 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 0.00 170 G 8.14 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 0.00 171 L 8.56 4.60 0.00 1.67 1.77 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.81 4.59 0.00 1.88 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 2.16 2.24 0.00 173 E 8.23 3.70 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 174 T 8.19 4.73 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 1.29 0.00 0.00 175 A 8.56 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.85 4.12 0.00 1.85 1.69 0.57 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 177 A 8.03 4.44 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.66 4.66 0.00 3.03 3.01 0.00 0.00 6.82 7.13 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 0.00 179 A 8.05 4.72 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 0.00 180 F 8.51 4.39 0.00 2.94 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 0.00 181 Y 7.87 4.10 0.00 2.79 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 0.00 182 G 8.05 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 0.00 183 D 8.59 4.51 0.00 2.73 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 0.00 184 L 8.52 4.21 0.00 1.70 1.64 1.04 1.10 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 0.00 185 V 8.24 4.29 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 0.94 0.00 0.00 186 D 8.51 4.52 0.00 2.67 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 * Residues marked with a * may have inaccurate shift predictions.