NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4163 8.2993 122.1536 53.5772 32.8558 175.4616 4 P 4.3265 0.0000 0.0000 60.8878 32.2020 174.2830 5 A 4.3225 9.7799 124.0416 51.9674 20.4920 177.6736 6 I 5.0730 8.5109 123.2555 59.9202 40.7434 174.7650 7 T 5.1308 9.3047 123.4467 61.6023 72.0785 172.5311 8 L 5.1508 9.0670 128.2326 53.1665 44.8463 174.8647 9 W 5.0924 9.3111 126.8196 55.7176 30.8655 175.4941 10 S 5.3401 9.2806 119.4932 55.8650 65.7757 172.8533 11 D 4.7874 8.6210 122.2076 53.1202 39.8667 177.3310 12 A 3.5883 7.9868 123.0081 55.1724 18.4449 178.6925 13 H 3.8751 7.7036 110.5834 55.4979 29.2141 174.9678 14 F 3.7299 6.6421 117.1546 58.6705 36.5609 175.9470 15 F 4.9514 8.4731 118.5795 58.1354 40.3732 177.6171 16 S 4.2894 8.6667 116.9272 57.8917 63.4110 173.0023 17 P 4.3809 0.0000 0.0000 65.5334 31.3372 178.0942 18 Y 4.4091 7.3323 116.5846 60.6697 37.9860 177.7089 19 V 3.7031 8.0893 119.4476 65.7285 31.6539 177.5894 20 L 2.6390 7.7828 120.3207 57.9709 41.7928 178.9780 21 S 4.1628 7.9663 112.5393 61.4565 62.3020 176.0363 22 A 4.0568 8.1704 123.5277 54.6515 18.0263 179.2165 23 W 4.0362 8.6109 127.4313 60.7752 30.7573 178.3013 24 V 3.6237 8.4929 118.1870 65.9102 30.9783 177.6232 25 A 4.0832 8.1771 120.4353 55.2848 18.2679 179.5452 26 L 3.6656 7.8368 117.3310 58.1011 41.6360 179.9252 27 Q 3.8884 8.0248 118.1648 58.9234 28.3770 178.5652 28 E 3.9870 8.3482 118.7656 58.6145 29.6436 178.8979 29 K 4.2939 7.9358 117.6593 56.8413 32.1689 177.3577 30 G 3.8485 7.8051 106.8747 46.4065 0.0000 173.6397 31 L 4.2416 7.6244 118.8288 53.3757 42.6397 176.6647 32 S 4.4043 8.3722 117.1350 57.5966 63.1292 173.0555 33 F 5.0227 7.8369 120.8380 56.3936 40.7102 172.6637 34 H 4.8931 9.0989 116.7650 54.1375 31.1761 173.5506 35 I 5.0664 8.3137 122.1722 59.5093 39.7889 174.6767 36 K 4.7153 8.8010 127.5899 54.6679 36.2157 175.1860 37 T 5.1885 8.4417 111.7553 60.0367 71.4232 173.0203 38 I 4.6635 8.5632 125.3771 59.6837 40.8896 176.6004 39 D 4.4790 8.7478 124.9490 54.7227 39.3765 176.2330 *58 R 4.3590 7.7737 114.6699 56.4148 31.2087 175.6669 59 V 4.6037 7.4722 111.4690 58.6821 34.7799 173.4774 60 P 5.3884 0.0000 0.0000 62.3850 32.5133 175.1389 61 L 4.9024 8.6303 122.4515 53.3237 45.3597 174.4871 62 L 5.0343 9.0747 128.9652 53.9293 44.1404 174.8873 63 Q 5.2077 9.5769 125.1581 54.2144 32.1441 174.5694 64 I 5.0512 8.6747 124.3238 59.4903 40.6849 176.8639 65 D 4.2452 9.2448 130.3835 55.7938 40.6685 174.5824 66 D 4.8604 9.2178 125.1088 53.7225 39.7338 175.1422 67 F 5.0312 8.3747 122.6668 56.8611 41.0433 174.1349 68 E 4.9585 7.6594 125.6000 54.5781 32.9366 175.0606 69 L 4.2545 8.2704 123.2387 54.0165 46.0290 174.4737 70 S 4.9255 8.3284 120.6090 57.3660 67.1909 169.4134 71 E 3.8210 8.8572 127.0588 56.3386 28.0618 175.9402 72 S 4.2262 8.6104 120.1571 61.4788 63.0101 176.5870 73 S 4.2903 8.1256 117.2412 61.1657 62.9849 176.1122 74 A 4.0441 8.0433 123.9315 54.8706 18.1279 179.5247 75 I 3.7703 8.1397 118.2575 64.5421 37.1979 178.4654 76 A 4.1455 8.0744 121.2947 55.3330 18.2166 179.4532 77 E 3.9362 8.6365 117.2322 59.7514 29.5506 178.9972 78 Y 4.1945 8.3880 119.5497 60.8049 38.8147 178.1506 79 L 4.0706 8.1719 119.9531 57.8063 41.7309 179.1686 80 E 4.0383 8.5783 119.4183 59.2187 29.3584 178.6954 81 D 4.2468 8.0119 118.2896 57.3233 41.0161 178.4320 82 R 3.5949 7.7426 118.0578 57.9559 31.3932 177.1965 83 F 3.6266 7.3189 117.9775 55.4382 37.7865 175.1669 84 A 4.7822 7.5358 125.3872 50.5159 19.5302 176.1111 85 P 5.3083 0.0000 0.0000 61.7731 31.9373 174.9466 86 P 4.6439 0.0000 0.0000 63.7659 32.1044 177.3822 87 T 3.7817 8.1328 116.2428 66.1220 68.8314 174.2942 88 W 4.8128 7.9786 119.8350 54.3193 31.4950 175.6169 89 E 4.3590 8.7588 119.9886 56.6973 29.5468 176.7125 90 R 4.6527 8.5324 122.2814 55.5318 31.2253 176.1015 91 I 4.5558 9.2029 116.6855 60.5690 39.1920 174.5890 92 Y 4.8186 7.7878 118.4467 55.1110 40.2896 173.8925 93 P 4.4004 0.0000 0.0000 62.6834 32.1477 176.6102 94 L 4.0850 8.5446 123.8340 57.9952 42.5156 177.9122 95 D 4.4452 7.8890 117.7333 54.3013 42.8695 176.9033 96 L 3.9919 8.4413 126.0563 57.6564 41.7703 179.5430 97 E 3.9702 8.1502 118.3924 59.2797 29.4720 178.7486 98 N 3.7547 8.3865 116.5894 55.9644 38.4872 177.4015 99 R 3.7555 8.1449 120.2605 59.2940 30.0788 178.4752 100 A 3.9389 7.9922 120.5805 55.1618 18.2971 179.6337 101 R 3.8732 8.0967 117.0965 59.2903 30.0993 178.4271 102 A 4.2594 8.1224 121.0636 55.5805 18.3540 179.9296 103 R 4.0121 8.1058 116.4690 59.2238 30.0172 179.0260 104 Q 4.0265 8.5485 119.8971 59.2586 29.0933 178.4785 105 I 4.0342 8.2499 121.0352 64.6728 37.0032 178.3049 106 Q 4.1476 8.2487 117.3098 59.1580 28.4252 178.7597 107 A 4.2092 8.4197 121.7750 54.7728 18.4436 179.4846 108 W 4.2736 8.7411 127.2952 60.8359 30.6713 178.3140 109 L 3.5278 8.0040 117.3390 57.1762 41.0745 178.9205 110 R 4.3577 7.5688 115.4050 56.7985 30.5003 176.7520 111 S 4.5879 7.8117 110.6241 57.6371 64.2586 171.8270 112 D 4.6889 7.3755 117.5076 53.0483 44.4280 171.3964 113 L 3.6761 8.0762 123.4070 53.2982 40.0864 173.4469 *115 P 4.3298 0.0000 0.0000 62.5423 33.5568 179.4030 116 I 3.6295 7.6227 118.3225 64.4586 36.7846 178.5066 117 R 3.8911 7.5730 117.4316 59.3213 29.9378 178.6872 118 E 4.1395 7.9914 116.8895 59.0898 29.7856 178.3646 119 E 4.2948 8.5362 117.4629 57.0157 31.1851 177.0390 120 R 4.5286 7.8761 117.3422 53.5649 30.3980 172.8729 121 P 4.5768 0.0000 0.0000 62.4333 32.7075 178.1594 122 T 4.0817 8.3350 108.4655 63.0225 68.9404 175.9730 123 D 3.6261 7.9503 122.5315 56.2133 39.0285 178.4541 124 V 3.8559 7.5984 120.9001 65.0651 31.5053 177.8629 125 V 3.4735 7.2014 116.8485 65.3647 31.6831 177.1616 126 F 4.9180 7.8232 114.2630 57.6167 39.3633 176.3879 127 A 4.6240 7.4519 119.7199 50.8961 20.2257 176.3903 128 G 4.0469 8.3548 103.5739 47.0152 0.0000 174.3071 129 A 4.1306 7.2976 122.5408 51.6355 18.9767 177.7018 130 K 4.7155 8.4085 120.6141 54.5964 34.4939 176.1283 131 K 4.7686 8.6185 121.6626 54.7957 35.2717 175.4225 132 A 4.4845 8.2486 121.6928 50.9246 19.9073 175.7578 133 P 4.3893 0.0000 0.0000 62.4735 31.9682 176.8638 134 L 4.2071 8.2396 120.8767 55.0657 42.2663 178.0966 135 T 4.2535 8.9624 113.6635 60.8488 71.3339 175.6792 136 A 3.9732 8.3813 121.7460 55.3978 18.3232 179.4959 137 E 4.0063 8.2110 116.7300 59.4922 29.5054 179.6529 138 G 3.5883 8.2698 105.8411 47.7818 0.0000 175.9359 139 K 3.9240 8.2320 120.7954 59.0471 32.0403 179.3986 140 A 3.9655 7.9149 120.9393 55.0471 18.1429 179.6685 141 S 3.9500 8.1574 111.4757 61.3999 62.4571 176.1324 142 A 3.5038 8.0026 123.6822 55.1767 18.0474 179.5353 143 E 3.8142 8.0483 116.9245 59.0705 29.2231 179.5677 144 K 3.9642 7.7665 119.2129 59.2777 32.3895 178.1597 145 L 4.4306 7.7225 119.4564 58.4983 42.2086 178.7216 146 F 4.7435 8.1241 117.3320 60.5450 38.9067 177.8398 147 A 4.3058 8.1088 115.9071 53.2029 17.7302 178.7432 *149 A 4.2285 7.8865 124.6932 53.5081 20.5322 179.8400 150 E 3.9089 8.3758 114.3596 59.6233 29.5495 178.9003 151 H 4.2185 8.1468 118.0140 59.3603 29.7991 177.2209 152 L 3.9286 7.8877 118.7572 56.9599 41.6943 178.5215 153 L 4.9248 8.0394 119.6984 53.5219 42.7554 179.1671 154 V 3.8446 7.2495 121.6558 64.5316 30.5989 177.1123 155 L 4.0327 7.8842 119.1981 55.1305 41.7597 177.9311 156 G 3.7628 8.3898 107.2964 45.9512 0.0000 173.8537 157 Q 4.1740 7.2896 115.1998 54.8713 29.3081 175.5142 158 P 4.3094 0.0000 0.0000 64.8642 31.8476 176.4283 159 N 5.4889 7.9373 114.3763 51.0537 41.2311 175.0626 160 L 3.5703 9.0648 123.9219 57.7080 41.5887 180.0360 161 F 4.8889 7.8811 114.7958 56.9199 39.3751 176.4434 162 G 4.0368 7.7991 115.0050 45.6793 0.0000 174.5438 163 E 4.3484 8.0520 119.4963 54.5682 31.0670 176.9921 164 W 4.5188 8.8768 132.2680 58.0847 31.4985 174.5826 165 C 3.6297 7.8646 117.7657 54.7848 32.5211 174.6486 166 I 3.3357 7.4526 119.4084 64.0666 37.1255 177.6152 167 A 4.1383 7.6467 120.9057 54.8324 18.1288 179.1628 168 D 4.9737 7.8875 119.2742 57.4538 40.8698 179.0363 169 T 4.1640 8.0032 115.7332 66.8751 68.3998 176.3781 170 D 4.4949 7.8507 119.4412 57.3545 40.9436 178.3356 171 L 4.2170 8.1931 119.6937 58.1439 42.3785 178.5271 172 A 4.2734 8.5547 121.0022 54.8650 18.3796 179.6454 173 L 3.4402 8.0416 115.3709 56.2440 42.0069 178.6462 *175 I 4.1825 7.7092 120.0146 61.0783 39.0901 177.6686 176 N 4.1082 8.0322 117.4671 55.5162 37.8491 177.4244 177 R 3.7339 7.3972 118.9357 58.7661 30.4243 178.3466 178 L 4.4380 7.5930 117.7422 57.1321 42.4199 178.8739 179 V 3.5399 7.7562 118.2061 66.2210 31.2898 177.9529 180 L 4.0910 7.6220 116.2766 57.0296 41.5704 178.3058 181 H 4.3333 7.9608 117.2613 57.2127 30.0036 175.6893 182 G 3.9679 7.6797 107.7965 45.0531 0.0000 173.4309 183 D 4.5547 7.5873 118.8703 53.6479 41.4308 175.7171 184 E 4.1359 8.5525 122.7927 56.0266 30.2519 176.4099 185 V 3.8627 7.8832 124.6338 59.1541 34.9672 173.4146 186 P 4.1214 0.0000 0.0000 62.8725 32.8719 176.9862 187 E 3.8987 8.7731 121.8972 59.7846 29.4971 179.5961 188 R 3.9643 7.8517 117.3782 59.0483 30.1172 178.8237 189 L 4.1125 7.7659 118.5734 57.3836 41.6723 179.2421 190 V 3.5698 7.7905 118.3382 66.1029 31.4045 177.8063 191 D 4.3615 8.2440 118.4517 57.5671 40.7760 177.7818 192 Y 4.2558 8.2237 119.7451 61.1930 38.7990 178.4113 193 A 3.8984 8.6375 121.7064 55.2704 18.2167 179.8241 194 T 3.8992 7.9888 113.8953 66.6395 68.8735 176.4705 195 F 4.4108 8.4787 122.7182 61.5810 39.5792 177.2275 196 Q 3.7858 8.2716 117.7269 58.5077 28.2312 178.3872 197 W 4.2783 8.0233 128.0086 59.5431 30.8860 177.2342 198 Q 4.1675 7.6221 116.1070 55.6354 28.8253 176.0709 199 R 3.5589 7.0533 121.2137 56.4965 30.7388 176.6812 200 A 3.9210 8.6970 127.1606 55.4551 18.3709 179.7578 201 S 4.1090 7.8325 112.0988 61.6405 62.9263 176.8610 202 V 3.4775 7.5064 121.2815 65.7693 31.3749 177.7990 203 Q 3.9143 8.1084 117.9454 59.1194 28.2696 179.2335 204 R 4.0179 8.1513 118.5099 59.0113 30.3783 178.6321 205 F 3.0717 8.0116 120.1255 60.8818 39.4118 177.1390 206 I 3.6502 8.0455 119.6723 64.5429 36.4061 178.1400 207 A 3.9417 7.9190 121.2217 55.0476 17.8325 179.6061 208 L 3.4152 7.0152 117.2007 57.0046 41.5392 178.8511 209 S 4.5922 7.2950 111.0250 58.8009 63.9188 175.8225 210 A 4.2492 7.8663 126.5969 55.7317 18.2828 177.7923 *211 K 4.0656 7.5906 121.6403 55.2597 33.1747 177.3692 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 K 8.30 4.42 0.00 1.79 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 4 P 0.00 4.33 0.00 2.38 2.27 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.27 0.00 5 A 9.78 4.32 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 6 I 8.51 5.07 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.93 0.00 0.00 7 T 9.30 5.13 4.35 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 0.80 0.00 0.00 8 L 9.07 5.15 0.00 1.68 1.74 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.31 5.09 0.00 3.41 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 10 S 9.28 5.34 0.00 4.10 3.77 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 11 D 8.62 4.79 0.00 2.71 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 12 A 7.99 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.70 3.88 0.00 2.49 1.31 0.00 5.86 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 6.64 3.73 0.00 2.74 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 0.00 0.00 0.00 0.00 15 F 8.47 4.95 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.67 4.29 0.00 4.01 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 17 P 0.00 4.38 0.00 1.99 2.23 0.00 3.51 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 0.73 1.68 0.00 18 Y 7.33 4.41 0.00 3.14 3.07 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 19 V 8.09 3.70 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.12 0.00 0.00 20 L 7.78 2.64 0.00 1.12 1.72 0.45 1.22 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 21 S 7.97 4.16 0.00 4.24 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 22 A 8.17 4.06 1.44 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 0.00 0.00 0.00 23 W 8.61 4.04 0.00 3.53 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 24 V 8.49 3.62 2.36 0.00 0.00 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 1.09 0.00 0.00 25 A 8.18 4.08 1.44 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 0.00 0.00 0.00 26 L 7.84 3.67 0.00 1.11 0.97 0.01 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.02 3.89 0.00 1.83 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 28 E 8.35 3.99 0.00 2.01 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 2.29 2.12 0.00 29 K 7.94 4.29 0.00 1.79 1.73 0.00 1.82 0.00 0.00 1.95 0.00 0.00 3.19 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.57 7.81 30 G 7.81 3.85 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 0.00 0.00 0.00 31 L 7.62 4.24 0.00 1.47 1.37 0.18 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.37 4.40 0.00 3.78 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 33 F 7.84 5.02 0.00 3.12 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 34 H 9.10 4.89 0.00 3.08 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.31 5.07 2.37 0.00 0.00 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 1.62 1.32 1.06 0.00 0.00 36 K 8.80 4.72 0.00 0.79 0.74 0.00 0.75 0.00 0.00 1.31 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 0.89 7.81 37 T 8.44 5.19 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 0.89 0.00 0.00 38 I 8.56 4.66 2.01 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.32 0.93 0.00 0.00 39 D 8.75 4.48 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.77 4.36 0.00 2.14 2.08 0.00 3.05 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.00 59 V 7.47 4.60 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 0.91 0.00 0.00 1.03 0.00 0.00 60 P 0.00 5.39 0.00 2.19 2.20 0.00 3.45 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 137 E 8.21 4.01 0.00 2.10 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 2.40 1.95 0.00 138 G 8.27 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.92 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.61 7.81 140 A 7.91 3.97 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 0.00 141 S 8.16 3.95 0.00 3.98 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 0.00 142 A 8.00 3.50 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.81 0.00 2.10 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 2.57 2.47 0.00 144 K 7.77 3.96 0.00 1.79 2.06 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.71 1.55 7.81 145 L 7.72 4.43 0.00 1.60 1.67 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.12 4.74 0.00 3.23 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 0.00 147 A 8.11 4.31 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 *149 A 7.89 4.23 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.38 3.91 0.00 2.03 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 2.32 2.42 0.00 151 H 8.15 4.22 0.00 3.32 3.26 0.00 5.79 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 0.00 152 L 7.89 3.93 0.00 1.69 1.57 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.04 4.92 0.00 1.54 1.45 0.05 0.52 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 0.00 154 V 7.25 3.84 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.90 0.00 0.00 155 L 7.88 4.03 0.00 1.83 1.73 0.92 1.28 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 0.00 156 G 8.39 3.76 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 0.00 0.00 0.00 157 Q 7.29 4.17 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 158 P 0.00 4.31 0.00 2.01 1.50 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 159 N 7.94 5.49 0.00 2.97 3.04 0.00 0.00 7.10 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 0.00 160 L 9.06 3.57 0.00 0.89 0.19 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 7.88 4.89 0.00 3.07 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 0.00 162 G 7.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 E 8.05 4.35 0.00 2.11 2.06 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 2.42 2.39 0.00 164 W 8.88 4.52 0.00 3.34 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 0.00 165 C 7.86 3.63 0.00 2.88 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 0.00 166 I 7.45 3.34 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 1.45 1.20 0.21 0.00 0.00 167 A 7.65 4.14 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.89 4.97 0.00 2.77 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 0.00 169 T 8.00 4.16 4.64 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 1.41 0.00 0.00 170 D 7.85 4.49 0.00 2.74 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 0.00 171 L 8.19 4.22 0.00 1.87 2.03 1.16 0.97 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 0.00 172 A 8.55 4.27 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 0.00 173 L 8.04 3.44 0.00 2.12 1.96 0.86 0.93 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 *175 I 7.71 4.18 1.92 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 1.02 0.00 0.00 176 N 8.03 4.11 0.00 2.07 2.13 0.00 0.00 7.00 7.26 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 0.00 177 R 7.40 3.73 0.00 1.71 1.91 0.00 3.05 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 178 L 7.59 4.44 0.00 1.93 1.80 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 179 V 7.76 3.54 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 0.96 0.00 0.00 0.89 0.00 0.00 180 L 7.62 4.09 0.00 1.62 1.59 0.64 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 181 H 7.96 4.33 0.00 3.25 3.59 0.00 5.69 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 0.00 182 G 7.68 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 0.00 183 D 7.59 4.55 0.00 2.88 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 0.00 184 E 8.55 4.14 0.00 1.92 1.90 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 2.29 2.34 0.00 185 V 7.88 3.86 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 0.62 0.00 0.00 1.06 0.00 0.00 186 P 0.00 4.12 0.00 1.98 1.86 0.00 2.45 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 187 E 8.77 3.90 0.00 1.99 1.92 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 2.37 2.40 0.00 188 R 7.85 3.96 0.00 1.86 1.95 0.00 3.16 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 189 L 7.77 4.11 0.00 1.71 1.74 0.95 0.82 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 0.00 190 V 7.79 3.57 2.23 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 1.09 0.00 0.00 0.91 0.00 0.00 191 D 8.24 4.36 0.00 2.95 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 0.00 192 Y 8.22 4.26 0.00 3.14 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 0.00 193 A 8.64 3.90 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 0.00 194 T 7.99 3.90 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 195 F 8.48 4.41 0.00 3.15 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 Q 8.27 3.79 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.60 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 197 W 8.02 4.28 0.00 3.53 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 0.00 198 Q 7.62 4.17 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.51 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 199 R 7.05 3.56 0.00 1.79 1.62 0.00 2.68 0.00 0.00 2.52 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.28 0.00 200 A 8.70 3.92 1.23 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 0.00 0.00 201 S 7.83 4.11 0.00 4.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 V 7.51 3.48 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 203 Q 8.11 3.91 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 204 R 8.15 4.02 0.00 2.31 2.42 0.00 3.19 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 205 F 8.01 3.07 0.00 2.22 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 0.00 206 I 8.05 3.65 1.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.12 0.99 0.00 0.00 207 A 7.92 3.94 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 0.00 208 L 7.02 3.42 0.00 0.52 0.13 -0.44 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 209 S 7.30 4.59 0.00 4.30 4.11 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 0.00 210 A 7.87 4.25 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 *211 K 7.59 4.07 0.00 1.77 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.28 1.22 7.81 * Residues marked with a * may have inaccurate shift predictions.