NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 E 4.3540 8.4444 116.7513 55.6654 31.8546 176.7514 7 L 3.7577 8.2355 124.3843 57.5415 42.5837 176.4857 8 F 4.8607 7.9137 114.7998 57.3869 40.2581 176.4232 9 T 4.2386 8.0532 110.7798 63.0353 69.7879 175.0215 10 G 4.1678 7.2442 110.8995 45.8513 0.0000 174.8658 11 V 4.6228 8.5994 125.2750 60.7540 33.7783 173.8581 12 V 4.6502 8.7319 128.1258 60.2295 34.1345 172.8546 13 P 4.8326 0.0000 0.0000 62.9215 32.6090 175.1238 14 I 5.0327 8.4781 123.3631 59.4748 40.9030 174.3028 15 L 4.9004 8.5228 125.9430 53.4422 45.7412 175.1368 16 V 4.9899 9.1174 125.6626 61.1512 35.2333 173.7801 17 E 5.1101 9.3122 127.6457 54.6062 33.1102 173.6425 18 L 5.3151 9.1708 128.4715 53.3419 46.1775 174.6149 19 D 5.0593 8.2563 123.9728 51.3403 44.2670 175.1639 20 G 3.7098 8.1539 109.8312 44.1312 0.0000 171.3250 21 D 4.7529 8.3554 119.2384 52.8196 44.4448 174.3699 22 V 4.6707 8.9413 127.6266 61.3350 33.9125 174.9531 23 N 4.4739 9.9649 124.8285 54.4599 36.6121 175.2539 24 G 3.9386 8.1609 108.6054 45.9692 0.0000 174.3784 25 H 4.4396 8.2812 116.9788 55.4918 27.8739 174.2847 26 K 4.8968 8.3411 124.4238 55.7273 33.4256 176.1536 27 F 4.8771 8.0381 117.4659 56.7492 42.0263 172.6513 28 S 5.0896 9.0455 113.7243 57.2578 67.6182 173.8154 29 V 5.0339 8.7356 121.6046 61.3847 35.2424 174.1158 30 S 5.2584 9.3552 120.7621 56.6185 66.0213 172.8314 31 G 4.8618 9.6389 112.9056 43.8076 0.0000 171.0925 32 E 5.0580 8.3653 119.8692 54.1985 33.5345 175.9827 33 G 3.7255 7.5850 107.3370 46.5073 0.0000 171.3114 34 E 4.9262 7.9797 116.7509 55.2275 33.5582 174.4242 35 G 3.6882 8.6695 106.4623 44.3969 0.0000 171.3797 36 D 5.4163 9.0238 121.6098 51.8236 42.3331 175.9790 37 A 4.3969 9.1023 129.5112 55.3777 18.7363 179.6730 38 T 3.8469 7.9723 110.8669 65.8287 67.2539 174.2037 39 Y 4.8969 7.3586 116.7824 56.4557 40.0910 176.7721 40 G 4.5635 8.4832 108.2734 45.9758 0.0000 172.8136 41 K 4.5665 7.5178 120.9951 55.1428 33.9495 175.5886 42 L 4.8497 8.5038 125.7319 53.3016 46.0080 176.1536 43 T 4.8548 8.3080 118.6337 62.4768 72.3161 172.8775 44 L 4.9608 8.8043 125.9080 52.5822 46.8981 175.6649 45 K 4.5597 8.7835 122.3268 54.6627 35.1625 174.6389 46 F 5.2755 9.0182 126.9565 55.8599 41.3926 174.7012 47 I 4.9570 8.8076 124.8415 59.7555 39.9733 174.7630 48 C 5.1801 9.5344 128.3829 58.3711 31.2113 174.1886 49 T 4.1143 8.7292 117.1734 63.5464 68.4800 175.3507 50 T 4.5221 7.8607 111.2203 61.1474 70.7007 173.2155 51 G 4.1388 7.3319 113.1486 45.7227 0.0000 178.1561 52 K 4.5851 8.8619 124.2055 51.9748 33.4275 176.6679 53 L 3.6380 8.5947 127.1119 53.4917 42.0982 175.4807 54 P 4.3873 0.0000 0.0000 63.2739 31.6310 176.1176 55 V 4.2111 6.4262 110.4281 58.6279 35.6885 173.4792 56 P 4.1998 0.0000 0.0000 62.5901 32.0218 177.7269 57 W 4.2996 8.9963 122.0215 59.6904 28.8773 177.0481 58 P 4.5809 0.0000 0.0000 65.2093 30.6795 178.1592 59 T 4.2906 7.7312 107.0682 63.3220 69.0209 175.3517 60 L 4.7467 7.7930 121.1800 54.5783 41.0274 178.1612 61 V 3.4576 7.7323 120.4244 66.3332 31.2998 178.1370 62 T 4.1964 8.0810 107.4321 64.9109 68.6544 176.2385 63 T 4.1681 7.3176 115.2731 66.1930 69.6197 177.3737 64 L 4.2558 7.6199 120.3986 54.0073 40.5144 178.4036 *68 V 4.0186 7.3487 117.4734 63.2456 32.6878 175.6902 69 Q 4.0168 7.6161 118.4444 57.1901 28.9912 178.2138 70 C 4.1614 7.7592 112.6799 59.7907 30.0981 173.9869 71 F 4.4812 7.8343 119.2661 57.5523 38.6467 175.5801 72 S 4.5778 7.4888 117.5776 58.5353 63.1802 173.7649 73 R 4.4637 8.5934 123.9859 55.9031 31.2918 174.6377 74 Y 4.5288 8.5815 124.3988 55.4391 39.4464 173.9887 75 P 4.3949 0.0000 0.0000 62.3939 32.1824 177.5164 76 D 4.4511 8.6135 119.1893 56.3806 39.5051 177.4909 77 H 4.6441 8.1232 113.1243 56.6026 28.9875 175.2446 78 M 4.8194 7.8787 119.2572 55.1911 32.8323 177.6705 79 K 3.9142 7.9681 121.7602 59.1667 32.2347 178.6893 80 R 4.1749 7.8862 112.6903 57.2077 29.7488 176.3486 81 H 4.5758 7.9716 115.2606 56.1000 29.5847 175.8692 82 D 3.7393 7.1494 121.3566 52.3094 39.4928 176.0653 83 F 3.8770 7.8681 126.5270 60.6272 39.5507 175.7289 84 F 4.0263 7.3627 115.5698 61.0284 38.9589 177.6491 85 K 4.0792 7.9565 117.1226 58.4684 31.7173 179.4041 86 S 4.1498 7.4424 113.2273 60.4510 63.2317 175.4001 87 A 4.1718 7.4930 122.8864 52.2776 18.5448 177.0087 88 M 4.6940 7.0730 117.0704 53.9047 33.2903 174.8631 89 P 4.7296 0.0000 0.0000 64.4100 32.2245 178.0528 90 E 3.8171 8.3846 119.5489 59.3073 29.7835 176.0156 91 G 3.8682 9.0785 103.3367 44.4067 0.0000 171.3109 92 Y 5.3356 7.8466 114.7072 55.9610 42.0057 173.7944 93 V 4.9596 9.1468 120.9238 61.3703 34.2082 174.0242 94 Q 5.3535 9.1282 128.7997 54.5008 31.5462 173.9076 95 E 5.4180 9.2140 125.2956 54.9378 33.6427 175.1558 96 R 5.3366 8.8561 120.3847 55.3918 35.7481 174.2114 97 T 4.8695 8.9141 116.6004 62.1141 72.5917 173.0359 98 I 4.5156 8.5557 127.8208 59.2673 40.0540 174.5364 99 F 4.7065 8.7990 126.0884 55.5628 41.5377 174.4813 100 F 4.8358 8.5879 123.2578 55.7294 40.4333 175.3963 101 K 3.7439 9.1139 125.9839 57.7796 32.4677 176.3566 102 D 4.3754 8.6372 126.8059 54.5815 38.6778 171.6180 103 D 4.3602 7.3975 116.3611 54.0163 45.1475 173.9182 104 G 2.7989 7.2659 107.3510 45.0156 0.0000 171.4546 105 N 5.3208 8.0721 115.2161 51.7157 40.8863 173.3752 106 Y 5.5688 8.8491 119.3040 56.8852 40.9307 174.7657 107 K 5.1829 9.0952 121.2569 54.9508 36.0593 175.5112 108 T 5.7755 8.7943 114.3389 58.8794 72.5565 172.8512 109 R 5.2551 8.5812 123.0226 54.7876 33.8913 173.5743 110 A 5.1954 8.9915 125.5862 50.7687 23.6307 174.6677 111 E 5.0208 9.3919 119.8383 54.4414 32.7787 175.5826 112 V 5.1898 8.7420 125.0273 58.9351 33.6434 174.9240 113 K 4.8768 8.1729 123.3921 54.8781 36.7686 174.9797 114 F 4.5294 8.8200 120.1348 57.3079 39.4639 176.4066 115 E 4.6049 9.4459 124.6719 54.0753 30.4719 176.8608 116 G 4.0765 8.3366 115.7475 45.0233 0.0000 173.8276 117 D 4.7068 8.8408 124.6739 53.6860 40.3999 176.0354 118 T 4.6586 7.6682 117.6653 62.2593 70.7535 173.5032 119 L 3.8810 8.7037 129.1973 54.3007 43.3743 175.3987 120 V 4.7538 8.5979 126.7057 61.1068 34.6114 173.9705 121 N 5.3330 8.8989 125.3616 52.0997 41.2705 172.5140 122 R 5.1603 8.6648 125.8150 54.5733 32.6026 175.8165 123 I 5.2427 9.1589 126.1880 60.1901 42.2283 174.8131 124 E 5.0115 8.9335 121.0995 54.7956 33.7701 175.3600 125 L 5.1994 8.7453 126.6386 52.0420 45.6527 175.0146 126 K 4.9319 9.3430 126.8848 54.6529 35.4916 174.9081 127 G 5.0423 9.4687 115.0433 44.7861 0.0000 171.7045 128 I 5.0815 8.8411 114.8831 59.8128 41.7739 174.5800 129 D 4.2331 8.7963 118.5944 55.1697 38.1267 173.8898 130 F 4.3677 8.1558 118.3413 56.7943 39.5458 175.9250 131 K 4.2896 9.4853 126.3106 56.2124 32.5220 178.0438 132 E 4.1390 8.7798 120.5647 58.1839 30.1779 176.9442 133 D 4.6665 8.0779 116.9548 52.9220 40.0703 176.3535 134 G 4.0222 7.4793 110.4214 44.4996 0.0000 174.9670 135 N 4.2908 8.5741 116.2599 56.2579 38.6455 177.6102 136 I 3.5442 7.3178 118.1405 64.2616 37.5475 178.3921 137 L 3.9474 7.7814 120.8353 57.7255 41.7849 178.6923 138 G 3.7653 8.7451 105.0597 45.7746 0.0000 172.8065 139 H 3.9541 7.7283 115.4925 56.6561 27.2087 175.4831 140 K 4.3324 7.9009 116.1889 56.6403 32.3897 177.0370 141 L 4.5839 7.5399 120.1139 54.0843 42.6741 176.4924 142 E 4.2715 8.7926 124.1308 56.2326 30.7158 175.5376 143 Y 4.5986 8.3360 125.9660 55.2706 37.2667 173.3549 144 N 4.9029 7.5672 119.2205 52.4505 40.2685 173.5313 145 Y 4.4702 8.1667 117.2182 56.5953 41.6757 173.2919 146 N 5.0717 8.0005 121.3642 51.6453 41.6455 173.5552 147 S 5.2692 8.1134 113.9893 57.2507 64.8246 173.6523 148 H 5.1204 8.5400 118.2943 54.2752 33.6851 171.6581 149 N 5.1581 8.7350 116.6357 51.7019 40.3695 174.8381 150 V 3.9342 8.4627 124.8422 61.3371 33.4289 173.9913 151 Y 4.9501 8.5146 127.1698 57.3308 39.3471 175.1504 152 I 5.0668 8.9476 125.3862 60.3099 40.6100 174.6024 153 M 5.0717 8.3274 121.6359 54.0729 36.9175 174.0521 154 A 4.3938 8.5872 124.1730 51.9036 19.9252 176.8516 155 D 4.1483 9.0335 122.9636 52.8027 41.7749 176.6662 156 K 3.6180 9.0303 123.5027 59.9122 32.7447 179.0130 157 Q 3.9988 8.4607 120.7717 59.8255 28.7286 179.6881 158 K 3.9993 7.9901 116.7552 56.6765 32.1207 176.6971 159 N 4.3836 8.2798 116.3170 54.3950 38.3788 173.8264 160 G 3.7857 7.9489 106.8142 44.5953 0.0000 172.3112 161 I 5.0591 7.9594 115.3028 58.9929 41.7199 174.8792 162 K 4.9541 8.9899 123.6199 54.7797 34.5304 175.3950 163 V 4.9224 8.9626 125.2466 61.4479 34.9175 173.8472 164 N 5.3954 9.1469 122.8793 52.9220 42.9687 173.1447 165 F 5.0732 7.9872 118.2805 56.3108 41.8283 172.3366 166 K 4.9055 8.7960 119.9240 54.7886 34.8506 174.7417 167 T 4.3472 8.6935 119.7564 60.1501 70.7901 172.5641 168 R 4.7696 8.3803 125.7399 54.6893 32.5070 174.8599 169 H 4.8906 9.1142 121.6618 53.7982 31.7694 173.3078 170 N 4.9869 8.8348 121.1472 53.3926 40.0337 174.4926 171 I 4.8766 8.9011 123.7486 59.3222 39.8715 176.7690 172 E 4.7214 8.9512 120.9787 58.0543 29.5007 177.1446 173 D 4.7896 8.0320 118.8736 53.3465 40.2607 176.9598 174 G 4.2967 8.1467 113.5039 46.6700 0.0000 174.9012 175 S 4.2597 7.6922 113.8383 58.2876 64.1311 173.1691 176 V 4.7645 8.0653 118.5134 61.1271 33.9513 174.2522 177 Q 4.4127 9.5491 130.7975 55.2505 30.1269 174.4635 178 L 5.0042 8.5702 126.6811 53.9652 43.9181 175.6881 179 A 4.9348 8.8120 124.1160 50.2083 22.0732 174.7377 180 D 4.6566 9.3623 123.9309 54.1202 42.2665 175.3566 181 H 5.0182 8.5709 121.3529 54.0478 31.5153 173.3431 182 Y 4.6701 8.9985 120.8778 56.4171 40.3509 174.4465 183 Q 5.3719 9.0982 125.7044 54.3745 32.9158 173.9694 184 Q 5.0870 9.0008 124.2573 54.7433 33.3792 173.2951 185 N 6.3000 9.1090 121.2987 51.0259 43.2112 173.5395 186 T 5.1317 8.6006 112.7189 59.0654 72.2864 172.0202 187 P 5.0790 0.0000 0.0000 63.1509 32.1314 175.9950 188 I 4.1450 8.2198 119.8182 62.8272 37.8790 177.2914 189 G 3.9742 7.7428 107.1535 44.6027 0.0000 173.1045 190 D 4.6061 8.4867 118.5213 54.5401 41.4900 177.5914 191 G 3.8656 7.7316 108.3302 43.9750 0.0000 171.7664 192 P 4.4860 0.0000 0.0000 62.5539 31.9372 176.0362 193 V 4.4864 7.7918 117.9014 59.6953 34.5376 174.8398 194 L 4.2116 8.4216 121.7743 54.3474 41.8657 176.6864 195 L 4.5309 8.4344 124.2883 52.6641 42.9938 174.3711 196 P 4.8401 0.0000 0.0000 60.6499 33.7090 174.1368 197 D 4.7205 8.5652 118.7908 53.5884 41.5399 176.0271 198 N 4.8861 8.6040 118.2190 54.2685 39.3657 174.3720 199 H 4.8135 8.5370 117.0119 55.7203 32.6986 171.8428 200 Y 5.2014 8.2448 115.7694 55.6016 41.9026 173.8932 201 L 4.7796 8.8001 120.0375 53.0226 44.7399 175.7350 202 S 5.1597 8.9636 119.1999 57.1367 63.9483 172.6536 203 T 5.2164 8.4373 118.0324 60.1660 71.6333 173.5841 204 Q 4.9401 9.0226 121.6761 54.5395 32.9510 174.3858 205 S 5.2560 8.9096 117.9223 56.7768 67.3663 173.2730 206 A 4.7002 8.8640 123.5400 50.3961 22.0270 175.0642 207 L 5.0881 8.5052 122.5872 53.5583 44.0207 175.8315 208 S 4.8687 8.9612 115.9687 57.8653 66.8875 172.6369 209 K 4.8284 8.4959 118.0709 54.5148 35.2963 175.6838 210 D 4.6646 8.7326 122.2237 52.5748 42.0017 175.7643 211 P 4.1903 0.0000 0.0000 65.9279 31.5399 177.3408 212 N 4.7207 8.3973 113.6752 51.6257 37.8797 177.4223 213 E 4.5452 7.5429 120.0202 55.5526 30.7665 175.8684 214 K 4.2551 8.5060 125.2872 58.2206 33.0639 177.7135 215 R 4.2228 8.4455 117.1863 55.3434 30.8131 175.7033 216 D 4.7458 8.6279 120.4461 55.3489 42.2900 174.9545 217 H 4.8868 8.5773 119.8673 55.7303 31.6938 171.9957 218 M 4.9231 8.1143 116.6809 54.1212 35.8491 173.5672 219 V 4.7045 8.8473 126.0181 60.9854 34.3433 173.9057 220 L 5.1245 8.9064 129.5604 53.1162 45.3225 174.5334 221 L 5.1298 8.6835 127.7899 53.3307 45.0024 174.5777 222 E 5.0565 8.9181 125.6531 54.7009 33.9073 173.5662 223 F 5.2793 9.4484 124.5334 55.6841 42.6275 174.2040 224 V 5.1086 8.8801 123.4509 61.2634 34.7341 174.2747 225 T 5.2211 8.7398 116.7045 59.7951 72.1148 173.1297 226 A 4.3454 9.3292 126.2446 51.9241 19.6455 176.1555 227 A 3.9643 8.3426 120.6052 51.2186 23.3151 177.1850 228 G 4.2879 9.1803 105.5781 45.5859 0.0000 174.2689 229 I 4.1924 7.3133 125.3038 61.3923 38.2336 174.9808 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *6 E 8.44 4.35 0.00 2.01 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 2.13 1.88 0.00 7 L 8.24 3.76 0.00 1.54 1.64 0.19 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.91 4.86 0.00 3.13 2.99 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 9 T 8.05 4.24 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 1.23 0.00 0.00 10 G 7.24 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 0.00 0.00 0.00 0.00 11 V 8.60 4.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 nan 0.00 0.00 12 V 8.73 4.65 2.57 0.00 0.00 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 0.00 0.00 1.09 0.00 0.00 13 P 0.00 4.83 0.00 2.15 2.15 0.00 3.77 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 2.24 2.02 0.00 14 I 8.48 5.03 1.72 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.70 0.88 0.00 0.00 15 L 8.52 4.90 0.00 1.64 1.43 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.12 4.99 2.35 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 1.09 0.00 0.00 1.08 0.00 0.00 17 E 9.31 5.11 0.00 2.06 1.75 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 2.23 2.27 0.00 18 L 9.17 5.32 0.00 1.77 1.51 0.98 0.94 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 19 D 8.26 5.06 0.00 2.59 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 0.00 0.00 0.00 0.00 20 G 8.15 3.71 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 0.00 21 D 8.36 4.75 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 4.67 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 0.77 0.00 0.00 1.01 0.00 0.00 23 N 9.96 4.47 0.00 3.08 2.97 0.00 0.00 7.32 7.21 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 24 G 8.16 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.28 4.44 0.00 3.35 3.31 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.34 4.90 0.00 1.62 1.64 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.67 7.81 27 F 8.04 4.88 0.00 3.06 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 28 S 9.05 5.09 0.00 3.79 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 29 V 8.74 5.03 2.28 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 1.49 0.00 0.00 1.08 0.00 0.00 30 S 9.36 5.26 0.00 3.98 3.71 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 31 G 9.64 4.86 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 32 E 8.37 5.06 0.00 1.93 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 2.18 2.25 0.00 33 G 7.59 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 0.00 0.00 0.00 34 E 7.98 4.93 0.00 2.01 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 0.00 2.09 2.18 0.00 35 G 8.67 3.69 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 0.00 0.00 0.00 36 D 9.02 5.42 0.00 2.82 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 37 A 9.10 4.40 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 38 T 7.97 3.85 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 39 Y 7.36 4.90 0.00 3.08 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 40 G 8.48 4.56 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 0.00 41 K 7.52 4.57 0.00 2.13 1.69 0.00 1.52 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.85 0.94 7.81 42 L 8.50 4.85 0.00 1.49 1.32 0.87 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.31 4.85 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 1.11 0.00 0.00 44 L 8.80 4.96 0.00 1.25 0.73 0.73 0.43 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 45 K 8.78 4.56 0.00 1.57 1.41 0.00 1.51 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.19 1.29 7.81 46 F 9.02 5.28 0.00 2.62 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 47 I 8.81 4.96 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.32 1.00 0.00 0.00 48 C 9.53 5.18 0.00 3.12 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.73 4.11 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 1.28 0.00 0.00 50 T 7.86 4.52 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 51 G 7.33 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 0.00 0.00 0.00 0.00 52 K 8.86 4.59 0.00 1.78 1.60 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 0.97 7.81 53 L 8.59 3.64 0.00 1.05 0.94 -0.10 -1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 1.99 1.97 0.00 3.02 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.99 0.00 55 V 6.43 4.21 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 0.40 0.00 0.00 0.39 0.00 0.00 56 P 0.00 4.20 0.00 2.05 1.93 0.00 3.31 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.74 0.00 57 W 9.00 4.30 0.00 3.65 3.32 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 58 P 0.00 4.58 0.00 2.24 2.32 0.00 3.66 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 59 T 7.73 4.29 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 0.89 0.00 0.00 60 L 7.79 4.75 0.00 1.93 1.73 0.69 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.73 3.46 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 0.54 0.00 0.00 0.81 0.00 0.00 62 T 8.08 4.20 4.54 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 1.54 0.00 0.00 63 T 7.32 4.17 4.46 0.00 0.00 0.00 0.00 0.00 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 64 L 7.62 4.26 0.00 1.60 1.35 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *68 V 7.35 4.02 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 1.34 0.00 0.00 1.05 0.00 0.00 69 Q 7.62 4.02 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 70 C 7.76 4.16 0.00 2.41 3.10 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 0.00 0.00 0.00 71 F 7.83 4.48 0.00 3.18 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 72 S 7.49 4.58 0.00 3.88 3.72 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 73 R 8.59 4.46 0.00 2.07 1.82 0.00 3.12 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 74 Y 8.58 4.53 0.00 2.82 2.87 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 75 P 0.00 4.39 0.00 1.97 1.98 0.00 3.48 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 2.01 2.04 0.00 76 D 8.61 4.45 0.00 2.84 2.95 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 77 H 8.12 4.64 0.00 3.31 3.47 0.00 5.46 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 78 M 7.88 4.82 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 79 K 7.97 3.91 0.00 1.77 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 80 R 7.89 4.17 0.00 1.81 1.97 0.00 2.94 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.33 0.00 81 H 7.97 4.58 0.00 3.39 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.15 3.74 0.00 1.89 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 0.00 0.00 0.00 0.00 83 F 7.87 3.88 0.00 2.99 2.43 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 84 F 7.36 4.03 0.00 3.10 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.96 4.08 0.00 1.52 1.71 0.00 1.40 0.00 0.00 1.27 0.00 0.00 2.84 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 0.96 7.81 86 S 7.44 4.15 0.00 3.95 4.01 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 87 A 7.49 4.17 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 88 M 7.07 4.69 0.00 2.33 2.44 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.27 3.02 0.00 89 P 0.00 4.73 0.00 2.27 2.04 0.00 3.44 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 90 E 8.38 3.82 0.00 2.07 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 2.42 2.34 0.00 91 G 9.08 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 92 Y 7.85 5.34 0.00 3.38 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 93 V 9.15 4.96 2.21 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 1.07 0.00 0.00 1.01 0.00 0.00 94 Q 9.13 5.35 0.00 2.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 95 E 9.21 5.42 0.00 2.00 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 2.27 2.33 0.00 96 R 8.86 5.34 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 97 T 8.91 4.87 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 0.93 0.00 0.00 98 I 8.56 4.52 1.47 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.70 -0.07 0.00 0.00 99 F 8.80 4.71 0.00 2.97 2.92 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 0.00 100 F 8.59 4.84 0.00 3.05 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 0.00 101 K 9.11 3.74 0.00 1.84 1.79 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.46 7.81 102 D 8.64 4.38 0.00 2.81 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 0.00 103 D 7.40 4.36 0.00 2.69 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 0.00 0.00 104 G 7.27 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 0.00 0.00 0.00 105 N 8.07 5.32 0.00 2.42 2.71 0.00 0.00 7.35 7.71 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 0.00 106 Y 8.85 5.57 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 0.00 107 K 9.10 5.18 0.00 1.82 1.68 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.37 7.81 108 T 8.79 5.78 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 1.26 0.00 0.00 109 R 8.58 5.26 0.00 1.89 1.77 0.00 3.18 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 110 A 8.99 5.20 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 0.00 111 E 9.39 5.02 0.00 1.88 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 2.24 2.24 0.00 112 V 8.74 5.19 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 0.69 0.00 0.00 0.58 0.00 0.00 113 K 8.17 4.88 0.00 2.00 1.92 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.47 7.81 114 F 8.82 4.53 0.00 3.06 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 0.00 115 E 9.45 4.60 0.00 1.91 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 2.24 2.22 0.00 116 G 8.34 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.84 4.71 0.00 2.82 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 0.00 118 T 7.67 4.66 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 1.24 0.00 0.00 119 L 8.70 3.88 0.00 1.19 1.49 0.94 0.12 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 0.00 120 V 8.60 4.75 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 0.92 0.00 0.00 0.96 0.00 0.00 121 N 8.90 5.33 0.00 2.91 2.71 0.00 0.00 6.94 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 0.00 122 R 8.66 5.16 0.00 1.83 1.82 0.00 3.12 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 123 I 9.16 5.24 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.98 0.00 0.00 124 E 8.93 5.01 0.00 1.62 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 2.13 2.09 0.00 125 L 8.75 5.20 0.00 1.57 1.31 0.52 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.34 4.93 0.00 1.77 1.60 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.37 7.81 127 G 9.47 5.04 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 0.00 128 I 8.84 5.08 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 1.33 0.62 1.00 0.00 0.00 129 D 8.80 4.23 0.00 2.73 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 0.00 130 F 8.16 4.37 0.00 3.31 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 0.00 131 K 9.49 4.29 0.00 1.94 1.93 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.38 7.81 132 E 8.78 4.14 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 133 D 8.08 4.67 0.00 2.81 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 0.00 134 G 7.48 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 0.00 135 N 8.57 4.29 0.00 2.86 2.87 0.00 0.00 6.81 7.41 0.00 0.00 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 I 7.32 3.54 1.91 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.00 0.39 0.00 0.00 137 L 7.78 3.95 0.00 1.96 1.73 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.75 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 0.00 0.00 0.00 139 H 7.73 3.95 0.00 3.22 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.90 4.33 0.00 1.84 1.83 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.43 7.81 141 L 7.54 4.58 0.00 1.58 1.62 0.89 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 0.00 142 E 8.79 4.27 0.00 2.17 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 2.38 2.30 0.00 143 Y 8.34 4.60 0.00 3.07 2.87 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 0.00 144 N 7.57 4.90 0.00 2.84 2.82 0.00 0.00 6.06 7.55 0.00 0.00 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 Y 8.17 4.47 0.00 2.87 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 0.00 146 N 8.00 5.07 0.00 2.53 2.63 0.00 0.00 6.88 7.57 0.00 0.00 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 S 8.11 5.27 0.00 3.72 3.83 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 0.00 148 H 8.54 5.12 0.00 3.20 3.23 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.73 5.16 0.00 2.44 1.85 0.00 0.00 6.71 7.68 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 0.00 150 V 8.46 3.93 1.77 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 0.55 0.00 0.00 -0.15 0.00 0.00 151 Y 8.51 4.95 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.95 5.07 1.76 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.30 0.86 0.00 0.00 153 M 8.33 5.07 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.76 0.00 154 A 8.59 4.39 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 0.00 155 D 9.03 4.15 0.00 2.61 2.39 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 0.00 156 K 9.03 3.62 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.41 7.81 157 Q 8.46 4.00 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 158 K 7.99 4.00 0.00 1.89 1.91 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.52 7.81 159 N 8.28 4.38 0.00 2.87 2.96 0.00 0.00 6.85 7.38 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 0.00 160 G 7.95 3.79 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 0.00 0.00 0.00 161 I 7.96 5.06 1.68 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.45 0.28 0.00 0.00 162 K 8.99 4.95 0.00 1.67 1.77 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.42 7.81 163 V 8.96 4.92 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 1.25 0.00 0.00 1.03 0.00 0.00 164 N 9.15 5.40 0.00 2.84 2.66 0.00 0.00 6.81 7.27 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 0.00 165 F 7.99 5.07 0.00 3.27 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 0.00 166 K 8.80 4.91 0.00 1.73 1.67 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.23 1.44 7.81 167 T 8.69 4.35 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 1.05 0.00 0.00 168 R 8.38 4.77 0.00 1.71 1.79 0.00 3.23 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 169 H 9.11 4.89 0.00 3.14 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.83 4.99 0.00 2.70 2.75 0.00 0.00 7.00 7.46 0.00 0.00 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 I 8.90 4.88 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.30 1.01 0.00 0.00 172 E 8.95 4.72 0.00 2.12 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 2.43 2.22 0.00 173 D 8.03 4.79 0.00 2.81 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 0.00 174 G 8.15 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 0.00 0.00 0.00 0.00 175 S 7.69 4.26 0.00 3.92 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 8.07 4.76 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 0.80 0.00 0.00 0.93 0.00 0.00 177 Q 9.55 4.41 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 178 L 8.57 5.00 0.00 1.65 1.54 0.92 0.92 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 0.00 179 A 8.81 4.93 0.98 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 0.00 180 D 9.36 4.66 0.00 2.71 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 0.00 181 H 8.57 5.02 0.00 2.03 2.70 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 9.00 4.67 0.00 3.02 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 0.00 183 Q 9.10 5.37 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 184 Q 9.00 5.09 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 185 N 9.11 6.30 0.00 2.47 2.64 0.00 0.00 6.38 6.61 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 0.00 186 T 8.60 5.13 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 1.24 0.00 0.00 187 P 0.00 5.08 0.00 2.28 2.21 0.00 3.91 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 188 I 8.22 4.14 2.04 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 1.30 0.67 0.94 0.00 0.00 189 G 7.74 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 0.00 190 D 8.49 4.61 0.00 2.69 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 0.00 191 G 7.73 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 0.00 192 P 0.00 4.49 0.00 2.19 2.07 0.00 3.71 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 1.98 1.95 0.00 193 V 7.79 4.49 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 1.06 0.00 0.00 0.89 0.00 0.00 194 L 8.42 4.21 0.00 1.62 1.73 0.83 0.78 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 0.00 195 L 8.43 4.53 0.00 1.60 1.57 1.01 1.04 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 0.00 196 P 0.00 4.84 0.00 2.31 2.15 0.00 3.67 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 1.93 1.98 0.00 197 D 8.57 4.72 0.00 2.71 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 0.00 198 N 8.60 4.89 0.00 2.66 2.86 0.00 0.00 6.76 8.16 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 0.00 199 H 8.54 4.81 0.00 3.33 3.35 0.00 5.21 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.24 5.20 0.00 2.48 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 0.00 201 L 8.80 4.78 0.00 1.39 1.45 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 202 S 8.96 5.16 0.00 3.94 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 0.00 203 T 8.44 5.22 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 1.11 0.00 0.00 204 Q 9.02 4.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 205 S 8.91 5.26 0.00 3.69 3.52 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 0.00 206 A 8.86 4.70 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 0.00 207 L 8.51 5.09 0.00 0.80 0.99 0.36 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 208 S 8.96 4.87 0.00 3.89 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 0.00 209 K 8.50 4.83 0.00 1.52 1.66 0.00 1.16 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.09 1.12 7.81 210 D 8.73 4.66 0.00 2.70 2.52 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 0.00 211 P 0.00 4.19 0.00 2.21 2.17 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 212 N 8.40 4.72 0.00 2.77 2.73 0.00 0.00 6.87 7.16 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 0.00 213 E 7.54 4.55 0.00 1.81 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 1.76 2.10 0.00 214 K 8.51 4.26 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 215 R 8.45 4.22 0.00 1.86 1.92 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 216 D 8.63 4.75 0.00 2.91 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 0.00 217 H 8.58 4.89 0.00 3.19 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 M 8.11 4.92 0.00 0.91 1.05 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 219 V 8.85 4.70 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 0.92 0.00 0.00 0.96 0.00 0.00 220 L 8.91 5.12 0.00 1.78 1.57 0.74 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.68 5.13 0.00 1.71 1.42 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 222 E 8.92 5.06 0.00 1.86 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 223 F 9.45 5.28 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 V 8.88 5.11 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 0.92 0.00 0.00 0.91 0.00 0.00 225 T 8.74 5.22 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 1.24 0.00 0.00 226 A 9.33 4.35 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 A 8.34 3.96 0.79 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 0.00 0.00 228 G 9.18 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 0.00 0.00 0.00 229 I 7.31 4.19 1.80 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.