NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2905 8.1593 117.3722 63.5490 69.7117 176.1815 4 R 4.4020 8.4554 127.4710 53.6487 31.3888 172.9832 5 P 3.9554 0.0000 0.0000 63.3206 32.6122 177.3269 6 R 4.5591 7.8358 120.3355 54.1797 32.9359 175.2717 7 F 4.8036 8.4722 118.1580 55.5230 42.5080 174.1139 8 L 4.9301 9.2033 127.3271 52.8725 45.0735 174.6237 9 W 5.4280 9.0310 135.0000 55.7826 33.1115 174.3199 10 Q 4.5469 8.5766 125.7336 53.8302 32.1638 174.1588 11 L 4.8572 8.2547 123.7909 53.1515 45.2468 175.5196 12 K 4.6119 8.7034 124.6016 54.5227 36.1906 175.1560 13 F 5.1019 9.0052 122.7232 55.9913 41.3594 174.3596 14 E 4.7193 9.6643 124.8506 54.7828 31.7032 174.5751 15 C 5.1481 8.9179 122.4348 55.6658 42.8588 172.8308 16 H 4.7926 9.1836 122.3857 54.0850 30.3875 173.9122 17 F 5.1410 8.6822 121.9646 55.5843 41.4612 175.0024 18 F 4.4948 8.8526 121.7412 56.1312 42.0075 173.4018 19 N 4.2903 9.5932 123.8622 54.5778 37.4501 174.9368 20 G 3.9683 7.8681 115.8460 46.4807 0.0000 172.2602 21 T 4.6646 8.3967 111.1342 60.8109 69.0067 174.7821 22 E 4.1177 8.1034 122.6940 59.3181 30.2772 176.8769 23 R 4.7093 7.8527 119.1885 54.3751 33.4550 174.3699 24 V 4.9763 8.4573 124.9186 61.2389 35.0532 173.9238 25 R 4.6302 9.0502 127.6802 54.4299 33.0929 173.4838 26 L 5.2139 9.0050 128.8903 53.3312 44.7277 174.6526 27 L 5.2091 9.2469 128.0345 53.4202 45.2203 174.3706 28 E 4.9013 9.4435 128.8935 54.8893 31.4778 174.7466 29 R 4.9953 9.1256 126.0775 54.5481 33.8813 174.0970 30 C 4.7064 8.8331 121.5245 57.9906 30.7630 172.8268 31 I 4.7790 8.2268 124.7712 59.5417 40.1663 173.6777 32 Y 5.1076 8.8604 128.8232 56.3417 40.6749 175.5190 33 N 3.8352 9.3244 126.0085 54.4034 36.6994 174.8788 34 Q 3.5128 7.9988 114.5285 56.1544 28.7228 171.7524 35 E 4.5002 8.0528 118.7975 54.4845 30.7574 174.6079 36 E 4.4820 8.8538 128.2321 56.6532 30.3307 175.8769 37 S 4.8384 9.5144 121.2855 58.9053 65.5149 174.4999 38 V 5.2638 7.6469 118.0398 60.2410 34.8113 173.9714 39 R 5.3487 9.4169 118.0379 55.0331 33.5682 173.2382 40 F 4.6935 9.0048 122.8699 56.3434 41.8834 173.3895 41 D 5.0978 7.6143 125.9308 52.0728 42.6175 176.7215 42 S 4.1291 8.9438 122.2554 61.2608 62.8968 175.1628 43 D 4.4984 8.0997 118.5919 54.9200 41.0323 176.9830 44 V 3.8440 7.9967 119.0836 62.7972 32.3770 176.8945 45 G 4.0185 9.3696 106.4604 44.7981 0.0000 171.8978 46 E 5.0781 6.9503 115.0720 55.3932 32.3537 174.5960 47 Y 4.7215 9.4600 118.7746 58.5031 38.7561 176.0931 48 R 4.8983 9.4019 120.7193 54.4557 34.8866 174.4740 49 A 4.5688 8.7609 124.1990 52.1303 18.9594 177.2847 50 V 4.2551 9.1862 121.4736 63.8173 33.0158 176.0664 51 T 4.7803 7.6216 108.3759 58.5998 72.0494 174.0765 52 E 3.9316 8.7583 122.1385 59.4585 29.2170 178.9832 53 L 4.1664 8.0629 117.8654 56.8948 42.0292 178.3553 54 G 3.9229 8.1210 104.1042 44.7882 0.0000 175.4517 55 R 3.8985 7.7066 121.5002 59.0960 30.0542 176.2990 56 P 4.1701 0.0000 0.0000 65.8804 31.2106 178.2999 57 D 3.5643 7.7225 116.7009 56.7585 40.6092 178.4912 58 A 4.0741 7.8980 121.2181 55.2538 18.2432 179.4381 59 E 3.9225 8.2737 116.0431 59.7190 29.8664 178.8139 60 Y 4.3207 8.0016 119.3253 60.7060 38.9212 178.1127 61 W 4.0624 7.9813 120.1379 59.7816 28.8997 178.2840 62 N 4.7042 8.4322 115.4124 55.5485 38.0577 176.6626 63 S 4.6891 7.6830 113.6092 58.4408 64.1555 174.1412 64 Q 4.4143 7.8594 123.1277 53.8543 28.7882 175.5527 65 K 3.8326 8.6984 125.1019 60.0050 32.0181 177.7824 66 D 4.3714 8.0008 118.3296 56.9203 40.8556 178.2762 67 L 3.8596 7.8010 120.7525 58.2521 42.1568 179.1562 68 L 4.0150 7.8830 118.3561 57.4048 41.3230 179.0005 69 E 3.8760 7.6592 118.3137 59.2940 30.0896 178.2888 70 Q 4.0419 8.0471 119.4790 59.3404 29.1937 178.4410 71 R 3.6251 7.6823 118.9746 59.2530 29.7263 179.2942 72 R 4.2326 7.9297 116.2553 58.1247 30.2677 177.7796 73 A 4.5751 7.6141 118.4875 51.9945 19.5512 178.3554 74 A 4.4745 7.7565 122.0910 54.4156 18.4249 179.9286 75 V 3.7850 8.0353 116.6100 65.8910 30.8507 177.2507 76 D 4.5999 7.8870 117.3943 56.3190 41.8587 178.3508 77 T 4.1553 8.2865 109.3960 63.6865 69.0701 173.9891 78 Y 4.6809 8.4398 120.3210 60.0156 40.8730 176.1867 79 C 4.1735 8.2722 116.8127 59.8343 35.3593 175.9334 80 R 4.0113 8.6502 119.9914 59.9484 29.8427 178.8947 81 H 4.1689 7.8520 118.3010 59.4861 29.8372 177.2216 82 N 4.3177 8.3450 118.1049 55.9158 37.8492 176.9168 83 Y 3.7238 8.2259 121.5438 60.6191 38.6713 178.4370 84 G 3.6239 7.7581 105.1795 47.5838 0.0000 175.5407 85 V 3.7911 7.2554 120.1610 65.0896 31.8432 177.4290 86 G 2.7807 7.2600 102.8160 43.6040 0.0000 174.4752 87 E 3.4160 7.2227 123.1612 59.2189 29.2880 179.1105 88 S 4.1803 7.7913 111.4529 60.5467 63.0151 174.6959 89 F 4.6932 7.2415 112.5475 56.2546 38.0840 175.0777 90 T 4.4288 6.8471 109.7489 62.5367 71.3959 175.9981 91 V 3.5690 7.5545 126.3796 64.4477 32.0833 177.0509 92 Q 4.5688 7.4325 115.9935 55.1954 29.2384 175.6432 93 R 4.0793 7.9358 119.5419 56.5826 30.5739 176.2138 94 R 5.0174 8.4420 123.1204 55.0838 34.0962 174.4457 95 V 4.5482 9.0069 124.1996 60.8525 34.5007 174.8027 96 E 5.0588 8.8793 127.0552 55.3631 30.2792 174.9284 97 P 4.8289 0.0000 0.0000 62.4307 32.6757 175.5413 98 K 4.4703 9.1772 125.6980 55.2323 33.7405 175.1805 99 V 5.1237 8.4532 127.3032 61.3570 33.7994 174.6278 100 T 4.8837 8.7849 116.6889 60.0892 72.5162 172.7047 101 V 5.0791 8.5141 123.1767 61.5092 34.2957 173.9392 102 Y 4.8701 8.1186 123.7934 55.2091 41.5246 172.4143 103 P 4.5274 0.0000 0.0000 62.8175 31.8337 175.4232 104 S 4.5693 8.4963 120.8617 58.5411 66.4882 176.9754 *114 L 4.1188 7.2387 119.8742 54.4599 43.2936 175.5512 115 L 4.3536 8.1613 123.1484 52.6313 44.5708 175.4012 116 V 4.4197 8.5597 124.5362 61.1324 33.9266 173.4390 117 C 5.0891 9.1926 128.5706 55.0803 41.2253 172.1882 118 S 5.1122 9.0234 123.2707 57.0962 63.7004 172.8802 119 V 4.6850 8.8623 128.3452 61.3263 33.3589 174.3615 120 S 5.0674 8.7554 122.2700 56.8005 67.1172 174.2582 121 G 4.0453 8.5130 106.4374 46.4654 0.0000 173.5602 122 F 5.3378 7.2591 113.7573 55.5616 41.1805 173.6960 123 Y 5.1715 8.7174 119.4855 56.2106 42.5883 173.4418 124 P 3.0890 0.0000 0.0000 62.0343 32.7712 175.7199 125 G 2.5745 7.9109 107.0857 47.5811 0.0000 174.2099 126 S 4.1428 7.6103 115.1145 58.0345 63.3290 173.0961 127 I 4.7212 7.8482 124.3180 59.2177 41.5894 173.6473 128 E 4.6326 9.0112 125.3221 54.4794 32.8465 174.9030 129 V 4.7242 8.4377 124.1422 61.1005 34.0391 174.7319 130 R 4.8099 9.0907 125.9323 54.2101 34.7262 174.0730 131 W 5.5244 8.6074 120.2346 55.2110 32.3182 174.8178 132 F 5.4486 10.0393 121.7872 55.7599 43.1880 174.0824 133 R 4.7229 9.2801 121.8420 54.6222 32.6959 175.2019 134 N 4.1592 9.9697 127.0481 54.4851 36.5268 175.8583 135 G 4.0405 8.3639 104.1303 45.6391 0.0000 173.2752 136 Q 4.6447 7.9595 119.9142 53.7600 30.2736 174.7261 137 E 3.2671 8.7192 124.0629 55.9138 30.0179 175.8840 138 E 4.3472 8.9466 127.3932 55.4128 29.0568 176.0638 139 K 4.3200 8.4773 122.4065 55.8370 33.2064 176.4063 140 A 4.6367 7.7594 122.2042 51.3575 21.0507 176.4205 141 G 3.7403 8.7416 109.9961 46.5106 0.0000 172.7901 142 V 4.7928 7.6240 117.7553 60.9570 34.0177 174.9566 143 V 4.5648 8.9837 125.2694 61.4675 35.1615 173.5695 144 S 5.5728 8.5375 120.9711 55.6066 65.2709 173.0185 145 T 4.2300 8.7619 120.0455 61.8881 67.6314 175.1946 146 G 4.0028 8.1001 107.3818 44.6388 0.0000 173.1597 147 L 4.2679 8.3089 121.0937 55.0508 42.8808 175.8759 148 I 4.5092 9.0755 127.6592 59.5574 39.6943 174.3685 149 Q 4.0891 8.6581 129.1154 55.1126 29.0484 175.4343 150 N 4.3117 8.4320 124.4311 54.0242 38.9183 176.4519 151 G 3.8562 8.0507 105.9367 45.6341 0.0000 173.1192 152 D 4.9146 7.1606 117.1232 52.6384 39.9371 175.1056 153 W 3.2932 8.3846 115.8169 58.3347 26.4660 174.1315 154 T 5.0348 7.3440 105.4400 60.6963 72.0775 172.3565 155 F 5.2508 8.8330 121.7806 56.0058 43.3062 173.6355 156 Q 5.0533 8.6435 115.7482 56.3250 32.0120 173.2285 157 T 4.9100 9.1492 113.8001 61.3157 71.8855 172.0876 158 L 5.1707 8.5175 124.9446 52.9739 45.5471 175.4875 159 V 4.5580 8.7274 124.4651 61.6076 33.7223 174.1306 160 M 5.1024 9.5986 129.3112 53.7764 34.6310 175.0121 161 L 4.7327 8.2272 124.2704 53.0239 44.7830 175.2010 162 E 4.4517 8.8675 127.4624 56.3980 29.4550 176.3978 163 T 4.2917 7.8998 113.0598 60.4636 71.2089 173.7744 164 V 4.0210 8.0650 123.7847 60.4087 31.2489 173.6332 165 P 4.5782 0.0000 0.0000 63.4342 31.6852 176.2840 166 R 4.8343 8.5613 120.3476 54.0773 34.1569 175.4287 167 S 4.2242 8.4089 115.4742 59.5315 63.4317 176.0905 168 G 3.9795 8.5399 109.1819 45.9866 0.0000 173.5579 169 E 4.4743 7.6527 118.9315 54.9516 31.0055 175.4780 170 V 4.4159 8.3123 122.7185 61.3053 34.1519 173.7337 171 Y 5.5781 8.8844 125.2131 56.7210 41.0573 174.9192 172 T 5.3007 9.6583 119.7842 62.1170 73.1126 171.8669 173 C 4.4167 9.2507 126.9355 54.9151 44.1287 171.7913 174 Q 5.0585 9.1103 128.1293 54.2335 31.3960 174.0493 175 V 4.7622 8.8858 126.4798 61.0589 34.5137 173.7362 176 E 4.9709 9.3219 127.5030 54.8523 32.1782 174.5383 177 H 4.8586 8.4946 122.2822 54.2391 32.9761 172.4065 178 P 4.1725 0.0000 0.0000 65.4825 31.4912 177.7293 179 S 4.4444 8.1393 111.2207 59.3138 63.6215 173.8674 180 V 4.7718 7.7021 115.0693 59.5497 34.4432 175.7339 181 T 3.9899 8.8455 115.3646 64.1645 68.9569 174.5203 182 S 4.7213 7.6997 116.1779 54.3981 64.9968 171.5955 183 P 4.4159 0.0000 0.0000 63.5151 31.5030 175.6416 184 L 4.5869 8.4663 121.7300 54.6206 43.3608 175.9529 185 T 5.6887 8.1340 110.9952 59.6237 72.0570 173.0934 186 V 4.5379 8.3850 124.1531 61.0802 34.4347 173.9305 187 E 5.4222 9.0012 125.5299 54.6860 32.4762 175.0014 188 W 5.2631 9.6931 130.4961 56.0624 34.3214 174.1070 189 R 5.0648 7.9565 123.7817 54.2364 34.2515 175.1928 190 A 3.8093 7.8783 121.5345 52.4304 19.3662 176.0348 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 T 8.16 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 1.22 0.00 0.00 4 R 8.46 4.40 0.00 2.01 1.93 0.00 3.11 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 5 P 0.00 3.96 0.00 2.12 1.89 0.00 3.67 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 2.10 2.13 0.00 6 R 7.84 4.56 0.00 1.57 1.70 0.00 3.29 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 7 F 8.47 4.80 0.00 3.10 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 8 L 9.20 4.93 0.00 1.66 1.38 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 9 W 9.03 5.43 0.00 3.59 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 10 Q 8.58 4.55 0.00 1.82 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 11 L 8.25 4.86 0.00 1.50 1.47 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.70 4.61 0.00 1.59 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.29 7.81 13 F 9.01 5.10 0.00 3.10 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 14 E 9.66 4.72 0.00 1.95 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 2.27 2.31 0.00 15 C 8.92 5.15 0.00 2.86 2.47 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 16 H 9.18 4.79 0.00 3.08 3.07 0.00 5.57 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.68 5.14 0.00 2.77 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 18 F 8.85 4.49 0.00 3.06 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.59 4.29 0.00 3.03 2.88 0.00 0.00 7.07 7.98 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 20 G 7.87 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 21 T 8.40 4.66 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 0.71 0.00 0.00 22 E 8.10 4.12 0.00 2.15 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 0.00 2.57 2.29 0.00 23 R 7.85 4.71 0.00 2.05 1.95 0.00 2.91 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 24 V 8.46 4.98 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 0.46 0.00 0.00 0.88 0.00 0.00 25 R 9.05 4.63 0.00 1.99 1.85 0.00 3.12 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 26 L 9.01 5.21 0.00 1.90 1.66 1.30 0.45 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 27 L 9.25 5.21 0.00 1.81 1.57 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.44 4.90 0.00 2.30 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 2.20 1.90 0.00 29 R 9.13 5.00 0.00 1.67 1.69 0.00 3.21 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 30 C 8.83 4.71 0.00 3.16 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 31 I 8.23 4.78 1.64 0.00 0.00 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 1.02 0.44 0.89 0.00 0.00 32 Y 8.86 5.11 0.00 3.34 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 33 N 9.32 3.84 0.00 2.42 2.59 0.00 0.00 7.05 7.72 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 34 Q 8.00 3.51 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 35 E 8.05 4.50 0.00 2.02 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 2.25 2.23 0.00 36 E 8.85 4.48 0.00 1.96 1.87 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 2.32 2.29 0.00 37 S 9.51 4.84 0.00 4.08 4.19 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 0.00 0.00 0.00 0.00 38 V 7.65 5.26 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 1.07 0.00 0.00 1.30 0.00 0.00 39 R 9.42 5.35 0.00 2.00 2.24 0.00 2.71 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 40 F 9.00 4.69 0.00 1.51 2.56 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 41 D 7.61 5.10 0.00 2.57 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 0.00 0.00 0.00 0.00 42 S 8.94 4.13 0.00 4.02 4.19 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 0.00 0.00 0.00 0.00 43 D 8.10 4.50 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 44 V 8.00 3.84 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 0.68 0.00 0.00 0.82 0.00 0.00 45 G 9.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 6.95 5.08 0.00 2.43 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 47 Y 9.46 4.72 0.00 3.29 3.25 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 48 R 9.40 4.90 0.00 1.69 1.79 0.00 3.32 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 49 A 8.76 4.57 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 50 V 9.19 4.26 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 0.89 0.00 0.00 0.98 0.00 0.00 51 T 7.62 4.78 4.28 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 1.37 0.00 0.00 52 E 8.76 3.93 0.00 2.11 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 2.38 2.47 0.00 53 L 8.06 4.17 0.00 1.69 1.74 0.95 0.80 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 54 G 8.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.71 3.90 0.00 1.89 1.92 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 56 P 0.00 4.17 0.00 2.03 1.96 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 57 D 7.72 3.56 0.00 2.34 1.54 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 A 7.90 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.27 3.92 0.00 2.11 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 2.37 2.33 0.00 60 Y 8.00 4.32 0.00 2.83 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 61 W 7.98 4.06 0.00 3.05 2.59 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 62 N 8.43 4.70 0.00 2.90 3.01 0.00 0.00 7.10 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 63 S 7.68 4.69 0.00 4.06 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 72 R 7.93 4.23 0.00 2.01 2.07 0.00 3.29 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 73 A 7.61 4.58 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.76 4.47 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.04 3.79 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 1.07 0.00 0.00 1.00 0.00 0.00 76 D 7.89 4.60 0.00 2.89 2.71 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 77 T 8.29 4.16 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 78 Y 8.44 4.68 0.00 2.88 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 79 C 8.27 4.17 0.00 3.16 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 80 R 8.65 4.01 0.00 1.94 2.07 0.00 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0.00 0.00 0.00 0.00 1.52 1.59 0.00 131 W 8.61 5.52 0.00 3.25 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 0.00 132 F 10.04 5.45 0.00 3.06 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 0.00 133 R 9.28 4.72 0.00 1.92 1.91 0.00 3.32 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.09 0.00 134 N 9.97 4.16 0.00 2.81 2.83 0.00 0.00 7.12 7.69 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 0.00 135 G 8.36 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 0.00 136 Q 7.96 4.64 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 137 E 8.72 3.27 0.00 1.45 1.63 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 1.90 1.47 0.00 138 E 8.95 4.35 0.00 2.11 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 2.37 2.50 0.00 139 K 8.48 4.32 0.00 1.68 1.80 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.28 7.81 140 A 7.76 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.74 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 0.00 0.00 0.00 142 V 7.62 4.79 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 0.97 0.00 0.00 0.99 0.00 0.00 143 V 8.98 4.56 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 0.85 0.00 0.00 0.97 0.00 0.00 144 S 8.54 5.57 0.00 3.89 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 0.00 145 T 8.76 4.23 4.27 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 1.25 0.00 0.00 146 G 8.10 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 0.00 0.00 0.00 147 L 8.31 4.27 0.00 1.69 1.64 1.07 0.64 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 0.00 148 I 9.08 4.51 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.95 0.91 0.00 0.00 149 Q 8.66 4.09 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.07 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 150 N 8.43 4.31 0.00 2.92 2.77 0.00 0.00 7.13 7.65 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 0.00 151 G 8.05 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 0.00 152 D 7.16 4.91 0.00 2.77 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 0.00 153 W 8.38 3.29 0.00 3.31 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 0.00 154 T 7.34 5.03 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 155 F 8.83 5.25 0.00 1.66 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 0.00 156 Q 8.64 5.05 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 157 T 9.15 4.91 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 158 L 8.52 5.17 0.00 1.68 1.54 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.73 4.56 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 1.12 0.00 0.00 0.92 0.00 0.00 160 M 9.60 5.10 0.00 1.84 1.91 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 2.51 2.37 0.00 161 L 8.23 4.73 0.00 0.27 0.13 0.74 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.87 4.45 0.00 1.87 1.81 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 2.27 2.19 0.00 163 T 7.90 4.29 4.14 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 1.03 0.00 0.00 164 V 8.07 4.02 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 0.87 0.00 0.00 0.91 0.00 0.00 165 P 0.00 4.58 0.00 2.40 2.77 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 166 R 8.56 4.83 0.00 1.81 1.83 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.94 0.00 167 S 8.41 4.22 0.00 3.88 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 0.00 168 G 8.54 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 0.00 0.00 0.00 169 E 7.65 4.47 0.00 2.23 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 170 V 8.31 4.42 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 0.95 0.00 0.00 0.91 0.00 0.00 171 Y 8.88 5.58 0.00 3.52 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 0.00 172 T 9.66 5.30 4.37 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 0.00 0.00 0.00 1.19 0.00 0.00 173 C 9.25 4.42 0.00 1.88 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 0.00 174 Q 9.11 5.06 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 175 V 8.89 4.76 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 0.74 0.00 0.00 0.77 0.00 0.00 176 E 9.32 4.97 0.00 1.83 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 2.18 2.18 0.00 177 H 8.49 4.86 0.00 2.96 2.98 0.00 5.69 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 0.00 178 P 0.00 4.17 0.00 1.92 2.04 0.00 2.86 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 179 S 8.14 4.44 0.00 4.10 4.29 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 0.00 180 V 7.70 4.77 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 0.80 0.00 0.00 1.02 0.00 0.00 181 T 8.85 3.99 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 0.00 182 S 7.70 4.72 0.00 3.94 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 0.00 183 P 0.00 4.42 0.00 2.03 2.09 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 184 L 8.47 4.59 0.00 1.60 1.58 0.88 0.54 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 0.00 185 T 8.13 5.69 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 1.09 0.00 0.00 186 V 8.38 4.54 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 1.17 0.00 0.00 0.94 0.00 0.00 187 E 9.00 5.42 0.00 2.24 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 2.24 2.35 0.00 188 W 9.69 5.26 0.00 3.52 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 0.00 189 R 7.96 5.06 0.00 1.45 1.61 0.00 3.14 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 190 A 7.88 3.81 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.