NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6885 8.3193 116.7477 58.1397 65.0779 174.8840 2 S 4.6571 9.1481 116.0951 56.3654 67.1825 173.0831 3 Q 4.4186 9.9031 124.3958 54.7295 30.0320 175.0839 4 P 4.5248 0.0000 0.0000 62.4557 31.9992 176.2373 5 D 4.3347 8.7653 123.5984 53.4638 41.4466 174.6788 6 P 4.2450 0.0000 0.0000 62.7495 32.0126 175.8893 7 T 4.2841 8.7449 115.5055 60.1342 68.2770 173.9563 8 P 4.4086 0.0000 0.0000 65.7135 31.4543 177.9063 9 E 4.2954 8.0806 114.8022 57.5122 29.6356 176.9341 10 Q 4.4939 8.3311 117.4139 55.6242 29.5837 175.3091 11 L 5.0110 7.1153 117.2761 52.5185 43.7305 176.2171 12 N 4.5344 9.4118 121.0265 53.3261 39.2737 174.7975 13 K 4.7383 8.5233 121.8890 54.6305 33.1910 177.7295 14 S 4.2809 9.2510 120.6166 61.2641 63.0637 176.7401 15 S 4.2941 8.3612 114.7453 60.4561 62.9204 174.7730 16 Q 4.3856 8.3047 119.4422 55.6291 28.9755 174.3294 17 F 5.2392 8.3240 122.1726 56.8362 40.4708 175.2862 18 T 4.1867 8.4325 117.4140 61.1857 69.5490 175.1870 19 G 3.6131 5.3800 111.0171 44.2220 0.0000 173.0510 20 V 3.7998 8.0798 121.3092 61.5751 31.2341 177.3559 21 M 3.9904 8.7734 128.7015 58.0018 31.9827 177.9822 22 G 3.5317 7.6269 105.1056 47.6033 0.0000 175.0744 23 N 4.4940 8.0225 117.9618 55.4233 38.8026 176.4063 24 L 3.8170 6.9749 121.1412 56.8563 42.4365 178.1336 25 R 4.0166 7.7816 119.1439 59.5613 29.8552 177.9893 26 C 4.6882 7.8670 113.4830 59.8117 29.6611 174.9140 27 L 4.2943 7.6631 120.6198 56.2474 41.9320 176.5789 28 Y 5.2348 8.2664 114.0775 57.4226 40.4122 175.8503 29 D 4.9597 8.2597 119.2788 53.2802 40.6573 174.4691 30 N 4.6085 7.1193 120.5889 53.5325 40.5977 173.8242 31 H 4.4756 8.7269 115.1409 55.0501 29.7146 174.3813 32 F 5.1149 8.0416 120.0839 55.0377 42.6077 175.4768 33 V 3.8513 8.1081 121.0604 62.4110 32.3827 175.1011 34 E 5.0348 8.5553 122.1926 55.0906 33.4595 174.7404 35 G 4.2348 9.2331 111.1833 44.6463 0.0000 171.3320 36 T 4.9260 8.3164 119.0757 61.7880 71.0574 173.9489 37 N 3.9146 8.7920 125.7883 54.8005 37.5851 172.8244 38 V 4.5875 8.0938 113.2121 59.4876 35.3737 175.5454 39 R 5.0497 8.2086 119.3265 54.0218 33.0850 175.9275 40 S 3.8267 8.8908 116.7215 58.9318 62.6849 173.9549 41 T 4.3826 8.9241 116.5099 60.6359 69.7323 174.8199 42 G 3.8376 6.8863 109.0325 47.6137 0.0000 171.0262 43 Q 4.6612 7.8079 114.5934 55.8480 30.6640 173.3176 44 L 4.2817 8.9842 120.8834 56.5649 42.9858 176.4246 45 L 4.8882 7.3215 115.2705 52.4839 45.1497 177.3525 46 Q 4.4044 8.6018 116.8151 58.0143 28.6734 177.3808 47 H 4.9362 8.2316 114.8558 55.4668 29.7676 172.8727 48 D 5.6470 7.9641 117.9998 51.7194 43.0347 174.7497 49 L 4.8279 8.6963 117.0383 53.2297 46.5021 175.5659 50 I 4.7378 8.5768 123.6716 59.5444 39.7973 174.6460 51 F 5.1616 9.1031 125.3703 54.1453 42.2678 174.3051 52 P 4.7312 0.0000 0.0000 62.2927 30.5329 177.3216 53 I 4.3049 7.5199 119.9167 61.1120 38.5944 177.1111 54 K 4.6600 8.6564 126.7056 55.3655 34.1500 176.5463 55 D 4.3111 8.1864 123.2054 52.7629 40.9839 176.9994 56 L 3.9416 8.4874 129.5033 57.9305 41.7399 179.5180 57 K 3.9944 7.4779 119.4378 56.3651 31.8338 180.4489 58 L 4.5574 7.7719 117.5224 53.2465 43.1508 176.5496 59 K 4.0638 7.5475 116.1171 56.5803 29.2946 175.4805 60 N 4.6847 7.7115 114.9052 54.0152 39.8114 175.3986 61 Y 4.8823 6.8975 114.4126 56.3931 40.2271 174.5020 62 D 4.8486 8.6560 120.4950 54.5564 40.7926 175.7582 63 S 5.0361 7.4243 112.4794 58.5664 66.3831 173.7998 64 V 4.6334 8.7374 119.3929 60.9465 35.2827 173.6489 65 K 4.9053 8.4395 128.0528 54.8422 34.5717 174.4463 66 T 4.7356 8.7569 122.1113 60.2385 70.2944 172.5119 67 E 5.0589 7.9684 125.9092 54.6117 32.6868 174.9947 68 F 5.6226 9.0489 120.8840 55.5250 43.1275 175.6014 69 N 4.7946 9.2679 116.8120 53.4580 37.8157 175.5723 70 S 4.6846 7.6742 113.1264 56.5263 67.2890 175.5143 71 K 4.5160 8.2842 123.9102 58.9960 31.8338 179.3182 72 D 4.2736 7.9996 118.9237 57.4310 40.3899 178.6824 73 L 3.6954 7.5736 119.0056 57.6392 41.4228 179.5276 74 A 3.9517 7.5277 121.8188 56.0257 18.1099 180.5093 75 T 3.8290 7.8711 112.3783 65.7739 68.5365 178.4366 76 K 4.0694 7.6917 121.0793 59.0993 32.4067 177.7054 77 Y 4.6378 7.2328 113.8909 57.1898 38.0742 177.1609 78 K 3.8612 7.5131 122.5701 59.4456 32.1915 178.1201 79 N 5.0493 8.0628 113.0561 52.9004 39.2148 174.3073 80 K 4.7758 7.6423 116.6285 54.7242 35.1655 175.8604 81 D 4.9117 8.5868 122.2906 54.2124 42.0728 176.0830 82 V 5.1068 9.0201 116.3126 59.7813 36.7435 173.9826 83 D 5.3444 9.1517 120.9435 52.7715 44.0086 175.8512 84 I 5.0430 8.4241 121.6137 59.6237 41.0040 174.5147 85 F 5.1398 8.0209 127.9145 57.3296 43.3578 173.5473 86 G 3.8812 7.8208 111.7302 46.3935 0.0000 170.9246 87 S 5.3252 8.7745 115.1811 56.9463 63.1554 173.2491 88 N 5.1796 8.7523 124.5460 51.6223 39.8632 173.1865 89 Y 4.8964 8.2797 116.8500 55.9076 41.7803 175.2639 90 Y 4.3448 8.6346 118.1561 59.5469 40.3435 178.4542 *91 Y 4.0094 7.4919 116.2725 59.2052 38.0220 181.4965 92 N 5.2031 7.7389 119.4190 51.6195 39.8460 173.4018 93 C 4.6004 7.4196 124.3053 58.4358 35.2087 176.9709 *106 K 4.1317 8.8796 117.5432 56.4519 32.5887 173.7535 107 T 4.0716 7.7416 116.4832 61.2396 71.3761 172.1932 108 C 5.1154 7.7646 125.5331 57.9972 31.3176 172.1140 109 M 4.3336 7.0556 114.1235 55.7662 33.6993 172.8271 110 Y 4.8834 8.4046 114.9482 58.1232 43.0202 175.9163 111 G 3.5437 8.9754 113.0244 47.1013 0.0000 174.6877 112 G 3.8482 8.8237 111.9214 45.8200 0.0000 171.6071 113 V 4.7386 8.1047 119.5966 60.9478 33.1873 175.2297 114 T 4.7095 8.2885 116.6953 59.5931 72.5883 172.9474 115 E 4.3985 8.8817 122.9895 57.0181 29.8411 176.6395 116 H 4.3611 9.3436 125.0817 59.5002 30.2752 175.3357 117 H 4.3895 7.8463 115.2445 57.1200 28.8963 176.2130 118 R 3.9839 8.7223 120.7187 56.7060 28.2111 176.0297 119 N 4.7696 7.6766 115.7629 53.5348 40.2934 174.2146 120 Q 4.4724 7.8855 117.6498 56.4156 29.5894 175.6080 121 I 4.1745 8.3548 125.6107 60.7955 38.0995 175.2760 122 E 4.6936 9.0611 126.0686 55.7443 32.1729 177.1308 123 G 3.8671 8.6774 109.3810 44.4850 0.0000 172.7688 124 K 3.9281 8.4488 123.3638 56.4276 32.7489 177.4725 125 F 4.8845 8.4619 125.2173 56.3956 39.7476 173.6069 126 P 4.3812 0.0000 0.0000 62.9922 31.7741 175.5183 127 N 4.8265 8.5989 118.1500 52.1413 39.8197 174.4237 128 I 4.3166 8.5373 126.3981 60.0134 38.9805 175.3881 129 T 5.1367 8.3407 124.3587 62.3120 70.2775 173.8549 130 V 4.2231 8.5663 126.3792 60.9588 33.9359 174.2105 131 K 4.5088 8.5546 128.1511 54.8767 33.9986 175.5664 132 V 4.5397 8.8433 126.3313 61.3663 33.5914 173.9183 133 Y 4.9923 9.2865 125.8582 56.1434 41.3166 174.5830 134 E 4.9157 8.9283 122.7380 54.5919 32.6249 176.0844 135 D 4.2892 9.8108 127.4054 55.5989 38.8932 174.0530 136 N 4.3092 8.4850 111.3279 54.1525 37.7706 172.4867 137 E 4.5952 7.8644 116.3795 53.8151 31.3507 174.9725 138 N 4.0307 8.6926 122.6198 53.9452 37.7170 173.7815 139 I 4.2115 7.9659 126.5040 62.0430 38.5033 175.8277 140 L 4.5182 7.2669 121.6954 54.2393 45.3435 173.7505 141 S 5.1428 8.5259 119.6805 57.0741 67.0023 173.1668 142 F 5.0269 8.4849 117.6122 55.9024 41.7344 172.6655 143 D 5.5897 8.9323 119.2506 52.7007 43.8117 175.3254 144 I 5.1467 8.7725 114.8371 59.4605 41.5398 173.8144 145 T 5.3514 8.2160 111.7760 60.9034 72.2268 172.2844 146 T 4.3295 8.1696 113.9468 61.3078 70.0443 172.2940 147 N 3.4306 8.1828 120.9678 52.0866 38.6766 173.8217 148 K 4.8699 7.2696 118.8190 54.9386 33.8565 176.7407 149 K 4.0838 9.0484 124.4485 59.1755 32.9241 176.8350 150 Q 5.0641 8.7485 121.2964 54.0940 30.7898 175.2162 151 V 4.5058 8.4729 124.3624 59.4899 34.4396 175.7275 152 T 4.3718 8.1964 112.3402 61.4101 69.7327 175.7302 153 V 3.4117 8.6833 123.7151 65.8878 31.4223 178.2691 154 Q 3.5115 7.9564 119.0989 59.1038 28.7784 177.8996 155 E 3.5969 7.8877 120.1039 59.1209 29.4890 178.8429 156 L 3.9743 7.5134 118.5517 57.5459 41.6163 178.8857 157 D 4.6246 8.7988 118.3998 57.7252 41.3371 177.8070 158 C 4.4807 8.5943 117.5323 63.2826 27.5934 176.5867 159 K 4.2537 7.9923 119.6309 59.6685 31.5768 179.7592 160 T 4.2181 8.0650 116.2198 66.8869 68.4287 177.1794 161 R 3.9793 8.5606 120.4041 58.9124 30.0154 178.9754 162 K 4.6841 8.3852 120.9900 59.3148 32.2267 178.9784 163 I 3.6742 7.5966 119.0982 64.2685 36.9127 178.4682 164 L 4.0400 7.9954 119.8911 57.4216 40.8481 179.8358 165 V 3.6723 8.0113 118.5340 66.1957 31.3730 178.4175 166 S 4.1854 8.0558 113.5390 60.8858 62.6782 175.9048 167 R 4.4657 8.2492 119.5263 56.3150 31.1367 177.2044 168 K 4.5673 7.6849 115.0011 55.1598 32.9066 175.4384 169 N 4.3257 7.9234 113.9274 53.6240 36.8785 175.5354 170 L 4.1628 8.3086 120.1643 57.8465 42.0991 176.6017 171 Y 4.9388 7.6310 113.4304 56.1530 40.6828 174.5898 172 E 4.8427 8.7407 123.3960 54.0224 32.7171 175.9868 173 F 4.2626 8.9003 121.2731 61.5999 39.3712 175.7295 174 N 4.6015 8.0633 117.7512 54.8096 40.0876 173.9954 175 N 4.9404 7.5360 120.8935 52.5335 40.0559 173.5627 176 S 4.9101 8.5467 110.3946 55.4526 65.7870 172.4599 177 P 4.1884 0.0000 0.0000 64.8193 31.2143 175.0139 178 Y 5.0105 7.3667 116.8520 56.4334 39.5367 175.7110 179 E 4.3611 9.7229 125.8638 58.5588 30.7664 176.3725 180 T 5.2076 7.9456 108.4984 60.0658 72.9449 172.7852 181 G 4.4043 8.2506 104.8928 45.7757 0.0000 172.0182 182 Y 5.6081 8.4324 122.1762 55.3115 42.3491 173.5963 183 I 4.6797 8.8347 121.2050 59.1294 40.6579 173.9056 184 K 5.0428 9.1550 130.9143 54.6049 34.9731 174.4304 185 F 4.9895 8.6120 125.7526 55.5766 41.9797 174.4618 186 I 4.9924 8.5147 123.4492 59.6478 40.4445 175.5305 187 E 4.8413 9.2915 127.4510 54.7535 30.8587 177.3607 188 S 4.2468 8.7737 115.1257 61.7976 62.6014 176.0389 189 S 4.2066 7.9555 113.1255 59.2402 63.0541 174.7521 190 G 4.0247 8.5445 110.3199 45.1155 0.0000 173.8078 191 D 4.7099 7.8712 120.2757 54.7933 41.9816 175.8641 192 S 5.7503 8.8800 115.9542 56.3697 67.3458 172.1956 193 F 5.3592 7.8935 113.6628 55.8879 40.8693 172.6708 194 W 5.7687 8.0909 115.5598 55.3592 31.6112 173.5073 195 Y 5.2061 9.1606 117.8085 56.2790 41.1134 174.5120 196 D 5.2393 9.1197 123.3729 54.7534 41.6547 175.8275 197 M 4.7746 9.5185 125.4662 55.6997 32.6941 176.3159 198 M 4.6254 8.5852 119.2228 52.8172 33.9211 174.3235 199 P 4.5125 0.0000 0.0000 62.0360 32.3181 176.1457 200 A 4.2891 8.4296 122.5216 51.2337 18.9739 175.9449 201 P 4.6080 0.0000 0.0000 63.5459 32.1054 174.7015 202 G 3.6421 8.3617 104.2868 44.7331 0.0000 173.9970 203 A 4.3619 8.5392 118.8157 50.9556 19.7591 176.2532 204 I 4.5153 7.6144 115.9217 58.6858 40.1471 174.2038 205 F 4.6978 8.9382 129.1680 56.4033 40.6627 174.7826 206 D 4.3976 7.8475 128.4226 52.7521 41.4274 176.4284 207 Q 3.6453 8.0625 127.2055 58.9665 28.7343 178.8970 208 S 2.9004 7.5032 113.0796 60.7347 62.6882 175.8762 209 K 3.9128 7.6085 122.7305 59.0028 31.6511 178.0231 210 Y 3.7540 7.7757 119.9305 60.5526 38.8561 177.5847 211 L 4.0401 8.0551 118.3571 56.4684 41.6418 178.9165 212 M 2.5500 7.1239 119.5175 57.1638 31.4879 178.1052 213 L 3.5899 6.6348 119.3659 58.0380 40.6158 177.8972 214 Y 4.7315 7.3339 116.6832 57.7460 38.1105 176.1725 215 N 4.8058 8.0486 118.2043 53.8017 37.7028 175.9630 216 D 4.5801 8.0372 117.7507 53.2280 40.1914 175.5798 217 N 4.2483 8.1390 117.0944 54.1085 38.2077 173.6709 218 K 4.1565 8.3073 117.5123 56.6684 33.1073 175.5273 219 T 5.1848 8.4283 116.0753 60.2591 72.3191 172.7809 220 V 4.6074 8.6221 114.9972 59.7134 37.3589 174.1370 221 S 4.9950 8.7831 116.6242 57.4216 62.7193 175.1378 222 S 4.2611 9.2045 122.8965 60.2969 63.0100 174.9623 223 S 4.6358 7.6686 114.2379 58.1261 63.4088 173.9678 224 A 4.8372 7.6978 122.2368 51.1702 17.8510 176.5145 225 I 4.8887 7.7702 119.2858 59.7296 41.8795 174.5286 226 A 4.8939 8.9531 129.5909 50.1510 22.4628 174.9886 227 I 4.7371 8.0850 120.6381 59.4153 41.2551 174.5493 228 E 4.9755 8.8640 125.0044 54.5069 33.5626 174.6064 229 V 4.4071 8.8989 124.4751 61.3054 34.1940 173.8365 230 H 4.9300 8.5371 125.3765 53.9717 31.1255 173.0690 231 L 5.3124 8.9195 123.6481 52.8270 45.7921 175.6098 232 T 5.1374 8.4620 111.0497 59.9239 71.3687 173.5653 233 K 4.5566 9.1150 125.0880 55.9275 33.3470 177.2424 234 K 4.2450 8.1505 121.3864 56.7421 31.7074 176.9288 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 1 S 8.32 4.69 0.00 3.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 9.15 4.66 0.00 4.24 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 3 Q 9.90 4.42 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.86 0.00 0.00 0.00 0.00 0.00 2.51 2.32 0.00 4 P 0.00 4.52 0.00 2.06 2.01 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 5 D 8.77 4.33 0.00 2.53 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.25 0.00 1.14 0.49 0.00 2.55 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 7 T 8.74 4.28 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 1.29 0.00 0.00 8 P 0.00 4.41 0.00 2.12 2.08 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 9 E 8.08 4.30 0.00 1.94 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 2.32 2.39 0.00 10 Q 8.33 4.49 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 11 L 7.12 5.01 0.00 1.68 1.63 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.41 4.53 0.00 3.05 2.99 0.00 0.00 6.92 7.22 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 13 K 8.52 4.74 0.00 2.08 1.88 0.00 1.71 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.59 7.81 14 S 9.25 4.28 0.00 4.20 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 0.00 15 S 8.36 4.29 0.00 4.05 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.30 4.39 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 17 F 8.32 5.24 0.00 2.97 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.43 4.19 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 1.13 0.00 0.00 19 G 5.38 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 0.00 0.00 0.00 20 V 8.08 3.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.74 0.00 0.00 21 M 8.77 3.99 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.85 0.00 22 G 7.63 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.02 4.49 0.00 2.85 3.10 0.00 0.00 6.87 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 24 L 6.97 3.82 0.00 0.27 0.79 0.41 -0.06 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 25 R 7.78 4.02 0.00 1.97 2.10 0.00 3.28 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 26 C 7.87 4.69 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.66 4.29 0.00 1.63 1.44 1.12 0.89 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 28 Y 8.27 5.23 0.00 3.27 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 29 D 8.26 4.96 0.00 2.90 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 30 N 7.12 4.61 0.00 2.56 2.30 0.00 0.00 7.14 7.89 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 31 H 8.73 4.48 0.00 3.09 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.04 5.11 0.00 2.30 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 33 V 8.11 3.85 1.88 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 0.61 0.00 0.00 0.80 0.00 0.00 34 E 8.56 5.03 0.00 1.77 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 0.00 1.85 2.03 0.00 35 G 9.23 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 0.00 0.00 0.00 0.00 36 T 8.32 4.93 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 1.26 0.00 0.00 37 N 8.79 3.91 0.00 2.24 2.65 0.00 0.00 7.09 7.45 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 38 V 8.09 4.59 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 0.80 0.00 0.00 0.89 0.00 0.00 39 R 8.21 5.05 0.00 1.81 1.86 0.00 3.58 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 S 8.89 3.83 0.00 3.43 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 41 T 8.92 4.38 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 1.22 0.00 0.00 42 G 6.89 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 43 Q 7.81 4.66 0.00 2.53 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 44 L 8.98 4.28 0.00 1.59 1.91 0.91 0.85 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 45 L 7.32 4.89 0.00 1.86 1.57 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.60 4.40 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 47 H 8.23 4.94 0.00 3.28 3.43 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.96 5.65 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.70 4.83 0.00 1.71 1.02 1.29 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 50 I 8.58 4.74 1.85 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 1.14 0.61 0.89 0.00 0.00 51 F 9.10 5.16 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.73 0.00 2.22 2.14 0.00 3.95 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 2.06 2.03 0.00 53 I 7.52 4.30 1.97 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 1.39 1.26 1.00 0.00 0.00 54 K 8.66 4.66 0.00 1.61 1.69 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.38 7.81 55 D 8.19 4.31 0.00 1.58 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 0.00 0.00 0.00 56 L 8.49 3.94 0.00 1.62 1.66 0.88 0.95 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 57 K 7.48 3.99 0.00 1.79 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.29 7.81 58 L 7.77 4.56 0.00 1.65 1.65 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.55 4.06 0.00 1.80 1.80 0.00 1.62 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.53 7.81 60 N 7.71 4.68 0.00 2.89 3.04 0.00 0.00 6.64 7.87 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 61 Y 6.90 4.88 0.00 3.32 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.66 4.85 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.42 5.04 0.00 4.02 3.96 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 0.00 0.00 0.00 64 V 8.74 4.63 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 0.67 0.00 0.00 0.69 0.00 0.00 65 K 8.44 4.91 0.00 1.75 1.42 0.00 1.87 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.16 1.23 7.81 66 T 8.76 4.74 4.13 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 1.17 0.00 0.00 67 E 7.97 5.06 0.00 1.66 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 2.28 2.20 0.00 68 F 9.05 5.62 0.00 3.14 2.96 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 0.00 0.00 0.00 69 N 9.27 4.79 0.00 2.84 3.14 0.00 0.00 6.75 7.56 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 70 S 7.67 4.68 0.00 4.09 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 71 K 8.28 4.52 0.00 1.74 1.83 0.00 1.93 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.17 7.81 72 D 8.00 4.27 0.00 2.62 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 73 L 7.57 3.70 0.00 1.59 0.85 1.17 1.06 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 74 A 7.53 3.95 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 75 T 7.87 3.83 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 76 K 7.69 4.07 0.00 1.64 1.56 0.00 1.45 0.00 0.00 1.15 0.00 0.00 2.54 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.51 1.10 7.81 77 Y 7.23 4.64 0.00 3.13 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 78 K 7.51 3.86 0.00 1.85 1.96 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 79 N 8.06 5.05 0.00 2.71 2.79 0.00 0.00 6.77 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 80 K 7.64 4.78 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 81 D 8.59 4.91 0.00 2.55 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 82 V 9.02 5.11 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 0.96 0.00 0.00 0.80 0.00 0.00 83 D 9.15 5.34 0.00 2.47 2.51 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 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3.03 0.00 0.00 6.82 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 93 C 7.42 4.60 0.00 2.98 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 0.00 0.00 0.00 *106 K 8.88 4.13 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 107 T 7.74 4.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.00 0.00 108 C 7.76 5.12 0.00 1.23 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 0.00 0.00 0.00 109 M 7.06 4.33 0.00 1.81 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 110 Y 8.40 4.88 0.00 3.11 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 0.00 111 G 8.98 3.54 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 0.00 0.00 0.00 112 G 8.82 3.85 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 2.31 2.25 0.00 121 I 8.35 4.17 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.46 1.14 0.00 0.00 122 E 9.06 4.69 0.00 1.97 1.89 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 2.26 2.31 0.00 123 G 8.68 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.45 3.93 0.00 1.73 1.77 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.45 7.81 125 F 8.46 4.88 0.00 3.02 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 0.00 126 P 0.00 4.38 0.00 2.33 2.07 0.00 3.94 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 1.97 1.96 0.00 127 N 8.60 4.83 0.00 2.64 3.01 0.00 0.00 6.91 7.45 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 0.00 128 I 8.54 4.32 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.96 0.00 0.00 129 T 8.34 5.14 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 0.00 130 V 8.57 4.22 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.61 0.00 0.00 131 K 8.55 4.51 0.00 1.70 1.37 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.25 7.81 132 V 8.84 4.54 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 0.84 0.00 0.00 0.93 0.00 0.00 133 Y 9.29 4.99 0.00 2.70 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 0.00 134 E 8.93 4.92 0.00 1.89 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 2.32 2.22 0.00 135 D 9.81 4.29 0.00 2.79 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 0.00 136 N 8.48 4.31 0.00 2.84 2.93 0.00 0.00 7.08 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 0.00 137 E 7.86 4.60 0.00 2.22 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 2.24 2.42 0.00 138 N 8.69 4.03 0.00 2.14 2.56 0.00 0.00 7.18 7.94 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 0.00 139 I 7.97 4.21 1.91 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 1.11 0.56 0.89 0.00 0.00 140 L 7.27 4.52 0.00 1.72 1.43 0.97 1.01 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 0.00 141 S 8.53 5.14 0.00 3.66 3.58 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 0.00 142 F 8.48 5.03 0.00 3.10 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 0.00 143 D 8.93 5.59 0.00 2.66 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 0.00 144 I 8.77 5.15 1.95 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 1.39 0.75 1.15 0.00 0.00 145 T 8.22 5.35 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 1.32 0.00 0.00 146 T 8.17 4.33 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 1.10 0.00 0.00 147 N 8.18 3.43 0.00 2.43 2.46 0.00 0.00 5.82 7.22 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 0.00 148 K 7.27 4.87 0.00 1.53 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.25 7.81 149 K 9.05 4.08 0.00 1.91 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 150 Q 8.75 5.06 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 151 V 8.47 4.51 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 0.80 0.00 0.00 0.78 0.00 0.00 152 T 8.20 4.37 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 153 V 8.68 3.41 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 0.02 0.00 0.00 0.88 0.00 0.00 154 Q 7.96 3.51 0.00 1.51 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.07 1.20 0.00 155 E 7.89 3.60 0.00 1.57 1.73 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 1.67 1.47 0.00 156 L 7.51 3.97 0.00 2.04 1.88 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.80 4.62 0.00 3.37 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 0.00 158 C 8.59 4.48 0.00 2.83 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 0.00 159 K 7.99 4.25 0.00 1.85 1.96 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.60 1.49 7.81 160 T 8.07 4.22 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 1.30 0.00 0.00 161 R 8.56 3.98 0.00 1.91 1.86 0.00 2.21 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.95 0.00 162 K 8.39 4.68 0.00 2.49 2.23 0.00 2.03 0.00 0.00 2.00 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.49 7.81 163 I 7.60 3.67 1.69 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 1.76 0.56 -0.06 0.00 0.00 164 L 8.00 4.04 0.00 1.81 1.61 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.01 3.67 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 1.14 0.00 0.00 1.17 0.00 0.00 166 S 8.06 4.19 0.00 3.86 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 0.00 167 R 8.25 4.47 0.00 1.66 1.87 0.00 2.86 0.00 0.00 2.80 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 168 K 7.68 4.57 0.00 1.88 1.94 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.51 7.81 169 N 7.92 4.33 0.00 2.83 2.88 0.00 0.00 6.77 7.73 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 0.00 170 L 8.31 4.16 0.00 1.45 1.40 0.60 0.34 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 0.00 171 Y 7.63 4.94 0.00 3.02 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 0.00 172 E 8.74 4.84 0.00 2.21 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 2.29 2.26 0.00 173 F 8.90 4.26 0.00 3.00 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 0.00 174 N 8.06 4.60 0.00 2.89 2.84 0.00 0.00 6.49 6.92 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 0.00 175 N 7.54 4.94 0.00 2.71 2.48 0.00 0.00 6.37 7.63 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 0.00 176 S 8.55 4.91 0.00 4.01 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 0.00 177 P 0.00 4.19 0.00 1.52 2.01 0.00 3.63 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 1.87 2.11 0.00 178 Y 7.37 5.01 0.00 2.91 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 0.00 179 E 9.72 4.36 0.00 2.15 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 2.35 2.20 0.00 180 T 7.95 5.21 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 1.32 0.00 0.00 181 G 8.25 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 0.00 0.00 0.00 0.00 182 Y 8.43 5.61 0.00 3.30 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 0.00 183 I 8.83 4.68 1.89 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 0.28 1.05 1.33 0.00 0.00 184 K 9.16 5.04 0.00 1.99 1.68 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.44 7.81 185 F 8.61 4.99 0.00 1.51 2.48 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 0.00 186 I 8.51 4.99 1.84 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 1.20 0.72 1.00 0.00 0.00 187 E 9.29 4.84 0.00 2.07 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 2.38 2.38 0.00 188 S 8.77 4.25 0.00 3.98 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 0.00 189 S 7.96 4.21 0.00 4.02 4.05 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 0.00 190 G 8.54 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 0.00 191 D 7.87 4.71 0.00 2.72 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 0.00 192 S 8.88 5.75 0.00 3.88 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 0.00 193 F 7.89 5.36 0.00 2.95 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 0.00 194 W 8.09 5.77 0.00 3.61 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 0.00 195 Y 9.16 5.21 0.00 3.18 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 0.00 196 D 9.12 5.24 0.00 3.10 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 0.00 197 M 9.52 4.77 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 198 M 8.59 4.63 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.73 0.00 199 P 0.00 4.51 0.00 1.53 1.31 0.00 3.67 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.00 200 A 8.43 4.29 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 201 P 0.00 4.61 0.00 2.26 2.16 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 202 G 8.36 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 0.00 0.00 0.00 203 A 8.54 4.36 1.20 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 0.00 0.00 204 I 7.61 4.52 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.97 0.00 0.00 205 F 8.94 4.70 0.00 3.03 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 0.00 206 D 7.85 4.40 0.00 2.59 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 Q 8.06 3.65 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.66 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 208 S 7.50 2.90 0.00 3.54 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 0.00 209 K 7.61 3.91 0.00 1.82 1.79 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.35 7.81 210 Y 7.78 3.75 0.00 2.89 2.96 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 0.00 0.00 0.00 211 L 8.06 4.04 0.00 1.97 2.09 1.26 1.17 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 0.00 212 M 7.12 2.55 0.00 1.57 1.87 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.60 0.00 213 L 6.63 3.59 0.00 0.96 1.08 -0.17 -0.19 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 0.00 214 Y 7.33 4.73 0.00 3.17 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 0.00 215 N 8.05 4.81 0.00 3.00 3.01 0.00 0.00 6.67 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 0.00 216 D 8.04 4.58 0.00 2.79 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 0.00 217 N 8.14 4.25 0.00 3.22 3.06 0.00 0.00 7.07 6.03 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 0.00 218 K 8.31 4.16 0.00 2.07 1.64 0.00 1.36 0.00 0.00 1.34 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.00 1.33 7.81 219 T 8.43 5.18 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 1.31 0.00 0.00 220 V 8.62 4.61 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 0.83 0.00 0.00 0.95 0.00 0.00 221 S 8.78 5.00 0.00 4.02 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 0.00 222 S 9.20 4.26 0.00 3.95 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 0.00 223 S 7.67 4.64 0.00 3.97 3.99 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 0.00 224 A 7.70 4.84 1.24 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 0.00 0.00 225 I 7.77 4.89 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.95 0.96 0.00 0.00 226 A 8.95 4.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 I 8.08 4.74 1.65 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 0.46 0.00 0.00 228 E 8.86 4.98 0.00 1.78 1.72 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 2.29 2.17 0.00 229 V 8.90 4.41 1.91 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 0.76 0.00 0.00 0.78 0.00 0.00 230 H 8.54 4.93 0.00 1.40 2.60 0.00 5.80 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 L 8.92 5.31 0.00 1.11 1.03 -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 232 T 8.46 5.14 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 1.25 0.00 0.00 233 K 9.11 4.56 0.00 1.86 1.78 0.00 1.71 0.00 0.00 2.01 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.56 7.81 234 K 8.15 4.24 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.