NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2426 8.3144 121.8015 56.2901 33.2599 176.0931 3 D 4.5690 8.4683 125.4622 52.3954 39.5658 173.4735 4 L 3.9396 8.7700 124.7862 54.4723 43.2051 177.3079 5 K 4.2264 8.4888 121.6395 57.6394 33.0071 177.2615 6 K 4.6140 7.5410 118.0456 54.4176 34.2669 177.1121 7 I 3.9298 8.5404 124.1857 64.8623 37.0586 178.5017 8 E 4.0457 8.1760 118.6023 59.2945 29.1786 179.4462 9 S 4.1814 7.8912 115.6240 61.4873 62.7285 176.2331 10 Y 3.8424 7.6498 118.9607 61.0224 37.7500 178.1083 11 L 3.8362 7.8070 119.4700 57.8829 41.6388 179.3397 12 D 4.2665 8.0248 118.5405 57.4840 40.6037 178.8157 13 K 3.7346 7.8382 117.6644 59.5062 32.1212 178.4759 14 L 4.2330 7.8380 116.0931 54.2565 41.8560 176.9850 15 R 3.7290 7.7320 117.0163 57.2149 27.7980 176.5876 16 I 4.0201 7.4990 119.9732 59.7102 36.8777 176.4068 17 K 4.1452 8.2993 125.7293 56.1631 32.5757 178.6114 18 E 4.0122 8.6981 122.2794 59.0771 29.6618 178.7417 19 K 4.0719 8.0272 116.9793 59.3097 33.3606 177.9224 20 D 4.7961 7.9715 122.8999 52.0736 37.4187 176.5828 21 G 3.8978 8.0877 113.6786 48.6745 0.0000 172.8514 22 E 4.0354 8.2543 120.6114 60.8805 29.1764 180.4661 23 E 4.3633 8.3218 118.9335 59.7041 29.7212 179.6094 24 R 3.9996 8.2203 117.6263 59.2388 30.1439 179.0443 25 K 3.9575 8.3528 119.3179 59.6917 32.1711 178.9610 26 I 3.7905 8.1324 120.2201 64.6456 37.0459 178.1150 27 Y 4.0558 8.4900 117.4430 61.1090 37.4806 178.5075 28 A 4.1287 7.9782 120.4378 54.7883 18.4860 178.9698 29 E 4.0937 7.8809 117.0537 59.0585 29.9307 178.5331 30 V 4.0949 8.0397 110.5874 60.8138 32.4509 176.0305 31 L 4.7451 7.4584 118.8172 52.5604 43.7744 176.8050 32 D 4.8178 8.4944 123.5305 52.3957 42.0897 177.5272 33 G 3.5628 8.5601 106.0147 47.8270 0.0000 175.9394 34 R 3.9236 7.8678 117.8314 59.5188 29.5163 179.0376 35 T 3.8858 7.6873 115.2507 66.1386 68.3546 176.6348 36 L 3.8110 7.9783 121.1807 57.5263 41.5596 179.4135 37 K 3.9979 7.6037 119.3768 59.8536 32.0346 178.8108 38 T 3.8238 7.8368 115.8322 66.7714 68.3425 176.5429 39 L 4.0085 8.0993 120.8600 57.9182 41.5348 179.0036 40 Y 4.3284 8.4626 119.8662 60.5454 38.6877 177.7068 41 K 3.7034 8.6309 120.9194 59.7760 32.2071 178.7208 42 L 4.1299 8.2466 119.1567 57.6007 41.5400 179.6325 43 S 4.4854 8.6021 114.5533 60.8663 62.2355 175.8943 44 A 3.9877 8.4960 123.1262 55.3064 18.1975 179.6141 45 K 4.0092 8.0798 115.8009 57.9460 32.1446 177.9179 46 G 3.9529 7.3879 104.4183 45.3234 0.0000 174.4092 47 Y 4.3850 8.6014 119.0728 60.2358 39.1846 175.6961 48 I 4.6344 7.8545 119.9401 60.2974 39.2712 176.3734 49 T 4.1440 9.1120 124.4637 65.5353 69.1976 174.2241 50 A 4.1284 7.4245 123.9171 50.8820 22.4095 173.2753 *52 G 4.1464 8.6662 102.6604 45.8766 0.0000 172.8420 53 G 3.9994 8.5918 109.4546 45.0787 0.0000 172.9408 54 V 4.1116 8.4536 121.8110 62.9962 31.6203 175.5996 55 I 4.3552 8.8125 129.0274 62.8366 38.9269 176.2059 56 S 4.5108 7.3729 114.4371 57.0892 65.9397 172.9738 57 T 5.0271 7.9459 120.8473 59.5670 69.1063 172.8807 58 G 4.2007 8.5017 117.5279 43.2644 0.0000 171.8933 59 K 4.0897 8.5191 119.0159 58.3382 32.6094 177.1503 60 E 4.6324 8.1248 116.9348 57.2203 31.9385 175.8602 61 A 4.9713 7.6198 118.6231 50.4995 23.2568 174.8054 62 N 5.1770 8.8803 116.2140 51.2739 42.6126 173.9367 63 V 4.7669 8.0839 121.3673 61.1302 35.0671 174.3197 64 F 5.3860 9.0664 124.8818 55.7840 43.1992 173.5919 65 Y 4.6246 9.2453 123.4389 57.5768 39.4315 174.4459 66 A 4.7355 6.9002 124.9746 50.6546 22.8150 174.9818 67 D 4.8477 8.8114 119.8305 53.4482 43.1583 176.3322 68 G 4.3592 8.6906 108.4136 45.4326 0.0000 171.1661 69 V 5.0199 8.4251 119.0936 61.1134 34.5652 175.0757 70 F 4.8754 9.0904 127.8975 58.1631 43.4027 173.8915 71 D 3.6652 7.8569 127.0378 54.8141 39.3781 174.6239 72 G 3.8570 8.5125 111.3673 49.2010 0.0000 172.9350 73 K 4.6611 7.8956 116.6070 52.8411 35.9379 173.2117 74 P 4.8337 0.0000 0.0000 63.7553 31.5505 176.6330 75 V 4.6977 8.8227 116.1956 59.5574 36.2229 174.9751 76 A 4.6225 8.5631 123.9396 50.8617 21.4404 175.9525 *78 A 4.5614 8.2341 119.7729 52.0837 19.9448 176.3875 79 V 4.3889 8.9978 123.8324 61.4160 33.3471 174.3208 80 K 4.9688 9.0405 130.4180 54.8377 34.4702 174.9215 81 I 5.1282 8.7123 127.7648 59.7764 40.6254 174.1572 82 Y 4.7582 8.8023 125.5601 57.2205 38.6747 176.0344 83 R 4.1947 8.7522 123.8526 56.1498 31.0947 177.1440 84 I 3.8505 8.3122 116.9070 60.4833 37.3001 174.9443 *93 D 4.8868 8.5157 126.8095 54.3135 42.6634 177.9698 94 E 4.2222 8.3150 115.1236 58.4192 29.9267 176.8015 95 Y 4.6242 8.1019 115.2405 58.1475 38.7651 175.3942 96 L 4.5345 7.6186 118.8105 56.4814 43.6046 175.9802 97 Y 4.3678 7.6908 116.4579 59.5072 38.3685 175.5134 98 G 3.9927 9.1889 111.6463 45.7992 0.0000 173.3067 99 D 4.6628 8.2910 120.5478 53.1780 41.2513 176.7901 100 E 4.0585 8.8355 125.5871 59.1745 29.8007 178.3789 101 R 3.7981 7.8604 117.0363 57.3758 30.2683 176.3345 102 F 4.7525 7.7847 119.0908 56.4049 41.3079 175.2997 103 D 4.5187 8.9402 126.0773 54.5913 39.9331 174.4753 *110 K 4.1657 7.4776 120.9062 54.3784 34.0291 181.4863 111 E 4.1307 7.8692 110.5551 55.4779 31.3206 180.0334 112 K 3.8611 7.9569 120.8284 60.8471 31.8146 179.0358 113 V 3.4658 7.3752 117.6849 66.0192 31.4095 177.9914 114 F 4.5844 7.5563 117.0426 60.6104 38.8052 177.6036 115 I 3.7048 7.6330 119.5591 63.9230 36.8191 177.9688 116 W 3.7998 8.6342 129.5156 60.8751 30.2989 177.9568 117 T 3.8559 8.1588 115.6681 66.7814 67.8972 176.1916 118 E 2.9481 8.2448 121.1841 58.6909 29.5496 178.7778 119 K 3.6777 7.8845 120.1547 59.2201 32.0478 178.4443 120 E 3.6409 7.8664 119.7635 58.9869 29.5605 178.4252 121 F 3.9937 8.0027 120.5926 61.5510 39.4914 177.2392 122 R 3.9130 8.4212 117.9524 59.4317 29.8585 178.9076 123 N 4.3293 8.3055 116.3159 56.2235 38.4681 177.5383 124 L 3.9516 7.9485 120.5212 57.6177 41.5405 179.4400 125 E 3.7769 7.8902 118.6047 59.2921 29.4329 179.4844 126 R 3.8433 7.9430 117.8450 59.2410 30.0527 179.0533 127 A 3.9568 7.9993 120.4521 54.8974 18.3891 179.6324 128 K 3.8267 8.3605 118.8642 59.6149 32.1145 178.9548 129 E 4.0057 8.2513 116.6218 59.0802 29.5410 178.1922 130 A 4.2448 7.5609 119.1063 52.4132 18.6759 178.1098 131 G 3.7885 7.6735 105.5267 45.0686 0.0000 174.0522 132 V 3.5373 7.5509 119.5333 62.5356 32.4465 176.3547 133 S 4.2850 8.2251 121.9284 57.8588 62.3604 172.8940 134 V 5.1214 7.8760 118.7268 58.6795 36.1051 173.6114 135 P 4.2573 0.0000 0.0000 62.1011 31.6657 176.4820 136 Q 3.8358 8.6904 124.8138 55.6726 29.1808 174.6075 137 P 4.2290 0.0000 0.0000 62.8650 32.2771 174.2457 138 Y 4.5551 8.2974 115.2757 58.9886 40.1896 176.4443 139 T 4.3858 7.4354 110.9018 61.7114 70.5992 170.8168 140 Y 4.9954 6.7526 118.3359 55.4147 41.3560 174.9532 *142 K 3.7745 8.0078 119.8892 56.8932 33.1389 176.2670 143 N 5.2080 8.9793 127.4624 53.3736 38.5023 172.7241 144 V 4.9762 7.7830 120.3645 61.4009 34.1509 173.9178 145 L 5.1654 9.1641 129.4482 53.3346 45.1579 175.0870 146 L 5.1309 9.0584 125.6486 52.8946 45.2999 174.9791 *148 E 4.4261 8.4493 120.6631 55.8639 30.5787 175.1060 149 F 4.1394 9.1421 130.1433 58.1473 39.9840 174.3185 150 I 3.8872 8.8522 129.4001 60.0919 37.7604 175.9466 151 G 4.0343 7.1931 113.7633 45.0028 0.0000 170.8411 152 E 4.7919 8.1820 118.3009 55.5057 33.6498 174.5330 153 D 4.4013 9.6093 116.9218 55.5964 38.5857 174.2346 154 E 2.8348 8.3063 112.9068 56.6015 27.2618 174.1322 155 L 4.9632 8.3507 119.7298 52.0282 44.0817 174.4637 156 P 4.5694 0.0000 0.0000 62.2395 32.1815 176.0237 157 A 4.2447 7.9855 123.7032 51.4845 18.9173 175.8616 158 P 4.7615 0.0000 0.0000 62.6135 32.6583 176.3723 159 T 4.4583 9.5712 112.2884 60.9115 70.0823 175.7304 160 L 3.8813 8.5541 122.8339 58.1132 41.1982 180.4326 161 V 3.4998 7.1127 111.4859 64.3721 31.4195 178.1619 162 E 4.1224 7.5514 117.2494 58.9597 29.5616 179.0531 163 L 4.1350 8.3345 119.5752 55.8121 42.0399 180.3731 164 G 3.9887 8.8319 106.1316 46.4151 0.0000 176.6419 165 R 4.0339 9.0828 125.9276 59.0919 30.3436 178.2303 166 E 4.1013 8.2799 117.2292 58.7263 29.3145 178.9427 167 L 3.8281 7.8319 119.5642 57.5446 41.3234 179.1364 168 K 4.2230 7.7435 116.5464 57.9695 32.0428 177.8252 169 E 4.6140 7.9519 117.4951 55.9132 30.1845 175.9958 170 L 4.4836 7.5937 118.0641 53.8715 42.9378 175.2942 171 D 4.3352 7.9701 119.0224 55.2440 38.4079 174.4971 172 V 3.7938 7.4025 122.0401 64.1543 32.1757 178.1065 173 E 4.0467 8.2377 120.2767 59.0440 29.5579 178.7607 174 G 3.6286 8.3217 105.7253 47.8181 0.0000 175.8173 175 I 3.7684 7.6605 121.8941 63.9085 37.0929 178.0966 176 F 3.1724 8.2938 121.8371 61.3439 39.0615 177.0910 177 N 4.1000 8.1548 115.7480 56.0259 38.2570 177.0138 178 D 4.2035 8.0322 119.7919 57.0249 41.2331 178.3769 179 V 3.7103 7.8798 119.0982 65.9959 31.5646 178.1989 180 V 3.3590 7.3337 117.8282 65.8616 31.2634 177.2859 181 E 3.8374 8.0656 119.1174 59.6610 29.2844 178.7162 182 N 4.0982 8.0752 116.1868 56.1307 38.4714 177.6181 183 V 3.7579 8.1330 119.9500 65.6998 31.5870 177.9199 184 K 3.8898 8.4906 119.8269 59.5388 32.0014 178.5639 185 R 3.8462 8.0842 118.9796 59.4183 29.8999 177.9964 186 L 3.9440 8.1289 120.2126 58.4148 42.1312 178.4463 187 Y 4.1251 8.1460 120.5736 60.3612 38.6102 177.6327 188 Q 4.1953 8.5753 117.9124 57.9184 29.1229 176.6924 189 E 4.4076 8.4468 117.7874 57.0065 31.2020 176.9430 190 A 4.1935 7.9956 119.6696 52.0752 19.9480 176.5027 191 E 4.0598 7.9185 114.1350 56.5178 27.3586 173.9882 192 L 5.1763 8.0523 116.3138 52.8644 45.8794 176.3344 193 V 4.3242 8.7707 121.2054 61.2778 33.1241 175.4530 194 H 3.7805 9.0713 127.4045 59.5979 29.5653 176.6476 195 A 3.9902 9.2628 119.4569 52.1780 17.8730 177.0995 196 D 4.7648 7.6396 113.8549 53.0096 41.5566 175.2717 197 L 4.0088 8.0786 121.2825 54.0074 43.0441 175.2776 198 S 4.4906 7.7215 118.8960 57.4674 65.2769 176.2621 199 E 3.4043 7.9775 117.9130 58.7165 29.0816 178.3952 200 Y 4.1447 7.5654 116.0396 59.5916 38.4094 175.8413 201 N 4.9907 8.2539 117.2419 52.7186 39.3763 173.7395 202 I 5.4141 7.0784 117.5672 58.3527 41.1701 173.8230 *204 Y 4.8100 8.1665 121.1544 57.7270 38.6508 174.5408 205 I 4.0573 7.7659 127.6061 59.8975 39.4248 174.4594 206 D 4.6134 8.3227 132.1603 54.6741 40.1213 174.2500 207 K 4.6742 6.8475 115.0551 54.9257 35.8599 175.6456 208 V 4.5890 8.2336 112.7438 61.3220 32.6599 175.5499 209 Y 5.0093 8.3928 117.6925 56.5550 42.2529 174.2751 210 F 5.4745 9.2067 122.5520 56.5965 40.5564 175.1034 211 I 4.6623 8.0331 115.5746 60.0433 41.4135 170.0146 212 D 5.0679 8.1736 128.4828 54.3124 41.3766 173.4973 *214 G 2.9457 8.6162 114.9968 44.8626 0.0000 173.1879 215 Q 3.6612 7.3692 114.9435 56.4870 29.3597 175.9122 216 A 4.7390 7.2761 120.5174 51.9741 19.1841 177.0444 217 V 4.7821 8.6498 113.1112 59.5497 36.2247 175.6872 218 T 4.5534 8.3914 118.3187 63.2680 69.1487 176.0052 219 L 3.9900 8.1639 123.3074 57.6961 41.7622 179.1533 220 R 4.1607 7.8295 115.7997 57.6175 30.6172 176.3385 221 H 4.0262 7.9449 117.5695 56.0709 30.0417 173.8457 222 P 4.1136 0.0000 0.0000 63.5513 31.3138 176.9474 *224 A 4.4871 8.0551 123.7503 52.3148 20.7107 179.6590 225 E 4.0036 8.1182 115.6633 59.4160 29.8134 178.5976 226 S 4.1460 7.9686 112.6829 61.8395 62.4626 175.6267 227 Y 4.5416 7.8421 118.8019 61.0903 37.5830 178.1848 228 L 4.1073 8.3305 121.3227 58.3003 42.2442 178.8669 229 E 4.1720 8.4754 118.5882 59.3288 29.3138 179.2260 230 R 3.9435 8.2409 118.7379 59.6436 30.2427 177.8954 231 D 4.4721 8.2600 118.6923 57.7286 40.8328 179.5769 232 V 3.6987 8.2315 118.4100 66.2539 31.5423 178.2460 233 R 4.1145 8.7569 118.2305 59.4019 29.8955 178.8596 234 N 4.4640 8.6923 116.6970 56.3608 38.5420 177.6095 235 I 4.0606 8.1007 121.1993 64.5318 37.2255 178.4969 236 I 3.9403 8.3359 120.9936 64.5818 36.7710 178.4913 237 R 3.9300 8.3447 118.6259 59.3714 30.0848 178.0313 238 F 4.2762 8.4944 120.5078 61.3404 39.4659 176.9770 239 F 4.2231 8.6162 116.9380 59.4766 38.9339 177.8211 240 S 4.3705 8.2188 116.0437 60.8056 62.3946 176.6027 241 K 3.8248 7.4265 120.8160 58.0706 31.2919 177.2328 242 Y 4.4234 7.7001 116.2176 57.4970 38.0895 177.3016 243 G 3.9191 7.9924 108.2693 45.0533 0.0000 174.2884 244 V 3.6328 7.5369 120.6189 62.1865 32.0250 174.5060 245 K 4.6389 8.3423 126.5248 54.5904 33.6106 175.5403 246 A 4.6733 8.1671 125.0524 50.8582 21.9401 174.6014 247 D 5.0567 8.4274 119.8969 52.1626 43.3238 177.2277 248 F 4.0810 9.2594 126.0513 61.5923 39.6924 176.2007 249 E 3.8402 8.3664 120.5805 59.0988 29.8805 178.4021 250 E 3.7588 7.7099 115.6522 56.9407 29.3001 177.7644 *252 L 3.9898 7.9777 121.1292 54.3669 43.9925 178.7004 253 K 3.9083 7.8409 119.0544 58.8688 31.7587 178.6039 254 E 3.8183 7.7742 119.1622 59.2090 29.7181 178.5025 255 V 3.6478 7.5360 116.2513 65.8673 31.7352 177.2668 256 K 3.6487 7.7073 114.7939 55.9498 32.1686 177.2512 257 G 4.1176 7.7354 113.6413 45.8843 0.0000 173.5491 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 2 K 8.31 4.24 0.00 1.80 1.91 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.46 7.81 3 D 8.47 4.57 0.00 2.80 2.64 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 4 L 8.77 3.94 0.00 0.27 0.98 -0.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.49 4.23 0.00 1.71 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 6 K 7.54 4.61 0.00 1.70 1.89 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.34 7.81 7 I 8.54 3.93 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.40 0.97 0.00 0.00 8 E 8.18 4.05 0.00 2.03 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 2.39 2.46 0.00 9 S 7.89 4.18 0.00 3.68 3.63 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 10 Y 7.65 3.84 0.00 3.09 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 11 L 7.81 3.84 0.00 1.80 1.61 0.90 0.77 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 12 D 8.02 4.27 0.00 2.79 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 13 K 7.84 3.73 0.00 1.50 1.60 0.00 1.51 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.38 7.81 14 L 7.84 4.23 0.00 1.55 1.57 0.86 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.73 3.73 0.00 1.94 2.02 0.00 3.24 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 16 I 7.50 4.02 1.62 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.17 0.71 0.00 0.00 17 K 8.30 4.15 0.00 2.01 1.72 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.44 7.81 18 E 8.70 4.01 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 2.29 2.27 0.00 19 K 8.03 4.07 0.00 1.86 1.95 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.47 7.81 20 D 7.97 4.80 0.00 2.91 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 21 G 8.09 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.25 4.04 0.00 1.98 1.98 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 2.32 1.99 0.00 23 E 8.32 4.36 0.00 2.25 2.29 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 2.66 2.55 0.00 24 R 8.22 4.00 0.00 1.88 2.01 0.00 3.34 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 25 K 8.35 3.96 0.00 1.94 2.12 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.52 7.81 26 I 8.13 3.79 2.08 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 1.55 0.39 0.92 0.00 0.00 27 Y 8.49 4.06 0.00 2.99 2.90 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 0.00 0.00 0.00 28 A 7.98 4.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.88 4.09 0.00 2.10 2.18 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 2.34 2.41 0.00 30 V 8.04 4.09 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 0.89 0.00 0.00 1.12 0.00 0.00 31 L 7.46 4.75 0.00 1.76 1.58 0.83 1.11 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 32 D 8.49 4.82 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.56 3.56 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 34 R 7.87 3.92 0.00 2.09 2.23 0.00 3.01 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 35 T 7.69 3.89 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 1.24 0.00 0.00 36 L 7.98 3.81 0.00 1.30 0.95 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.60 4.00 0.00 1.86 1.93 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.68 7.81 38 T 7.84 3.82 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 1.18 0.00 0.00 39 L 8.10 4.01 0.00 1.85 1.75 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.46 4.33 0.00 3.16 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.63 3.70 0.00 1.82 1.96 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 42 L 8.25 4.13 0.00 1.95 1.83 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.60 4.49 0.00 4.04 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 0.00 44 A 8.50 3.99 1.11 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 45 K 8.08 4.01 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.61 7.81 46 G 7.39 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.60 4.38 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.85 4.63 1.95 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 1.41 1.49 0.95 0.00 0.00 49 T 9.11 4.14 4.31 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 1.22 0.00 0.00 50 A 7.42 4.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *52 G 8.67 4.15 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 0.00 0.00 0.00 53 G 8.59 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 54 V 8.45 4.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.98 0.00 0.00 55 I 8.81 4.36 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.99 0.00 0.00 56 S 7.37 4.51 0.00 3.77 3.49 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 57 T 7.95 5.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 58 G 8.50 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 0.00 0.00 0.00 0.00 59 K 8.52 4.09 0.00 1.69 1.80 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.42 7.81 60 E 8.12 4.63 0.00 2.03 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 0.00 2.23 2.29 0.00 61 A 7.62 4.97 0.73 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 62 N 8.88 5.18 0.00 2.57 2.02 0.00 0.00 6.66 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 63 V 8.08 4.77 1.94 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 1.04 0.00 0.00 0.79 0.00 0.00 64 F 9.07 5.39 0.00 2.97 2.90 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 0.00 0.00 0.00 65 Y 9.25 4.62 0.00 2.81 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 66 A 6.90 4.74 1.12 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 0.00 0.00 67 D 8.81 4.85 0.00 2.66 2.61 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 68 G 8.69 4.36 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 0.00 69 V 8.43 5.02 2.24 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 0.72 0.00 0.00 0.91 0.00 0.00 70 F 9.09 4.88 0.00 2.51 2.32 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 71 D 7.86 3.67 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.51 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 73 K 7.90 4.66 0.00 1.88 1.90 0.00 1.35 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.53 7.81 74 P 0.00 4.83 0.00 1.98 2.08 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 75 V 8.82 4.70 2.15 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 0.72 0.00 0.00 0.73 0.00 0.00 76 A 8.56 4.62 1.46 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 0.00 0.00 0.00 *78 A 8.23 4.56 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 79 V 9.00 4.39 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 1.02 0.00 0.00 1.00 0.00 0.00 80 K 9.04 4.97 0.00 1.81 1.61 0.00 1.54 0.00 0.00 1.72 0.00 0.00 2.39 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.91 1.18 7.81 81 I 8.71 5.13 2.03 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 1.35 0.78 1.02 0.00 0.00 82 Y 8.80 4.76 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 83 R 8.75 4.19 0.00 1.72 1.89 0.00 3.16 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 84 I 8.31 3.85 1.86 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 0.82 1.03 0.00 0.00 *93 D 8.52 4.89 0.00 2.97 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 94 E 8.31 4.22 0.00 2.04 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 1.86 1.47 0.00 95 Y 8.10 4.62 0.00 3.37 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.62 4.53 0.00 1.70 1.40 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.69 4.37 0.00 3.06 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 98 G 9.19 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 0.00 0.00 0.00 99 D 8.29 4.66 0.00 2.99 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 0.00 100 E 8.84 4.06 0.00 2.10 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 2.23 2.25 0.00 101 R 7.86 3.80 0.00 0.67 1.44 0.00 3.16 0.00 0.00 3.44 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 102 F 7.78 4.75 0.00 2.92 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 0.00 103 D 8.94 4.52 0.00 2.69 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 *110 K 7.48 4.17 0.00 1.79 1.60 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 111 E 7.87 4.13 0.00 1.87 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 2.22 1.87 0.00 112 K 7.96 3.86 0.00 1.65 1.81 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 113 V 7.38 3.47 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 1.26 0.00 0.00 0.75 0.00 0.00 114 F 7.56 4.58 0.00 3.14 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 0.00 115 I 7.63 3.70 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.69 0.00 0.00 116 W 8.63 3.80 0.00 3.19 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 0.00 117 T 8.16 3.86 4.61 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 1.42 0.00 0.00 118 E 8.24 2.95 0.00 2.03 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 2.30 2.04 0.00 119 K 7.88 3.68 0.00 0.80 1.17 0.00 0.82 0.00 0.00 0.92 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.99 0.94 7.81 120 E 7.87 3.64 0.00 1.78 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 0.00 2.27 2.24 0.00 121 F 8.00 3.99 0.00 2.91 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 0.00 122 R 8.42 3.91 0.00 2.01 2.03 0.00 3.44 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.12 0.00 123 N 8.31 4.33 0.00 2.78 2.76 0.00 0.00 7.00 6.25 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 0.00 124 L 7.95 3.95 0.00 1.59 1.56 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.89 3.78 0.00 1.94 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 1.49 1.85 0.00 126 R 7.94 3.84 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 127 A 8.00 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 8.36 3.83 0.00 1.89 1.75 0.00 1.49 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.47 7.81 129 E 8.25 4.01 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 130 A 7.56 4.24 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 0.00 131 G 7.67 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 0.00 132 V 7.55 3.54 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 0.48 0.00 0.00 0.91 0.00 0.00 133 S 8.23 4.28 0.00 3.62 3.44 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 0.00 134 V 7.88 5.12 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 0.79 0.00 0.00 0.93 0.00 0.00 135 P 0.00 4.26 0.00 1.89 2.01 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 136 Q 8.69 3.84 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.17 0.00 137 P 0.00 4.23 0.00 1.90 1.81 0.00 3.63 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 1.85 1.68 0.00 138 Y 8.30 4.56 0.00 3.12 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 0.00 139 T 7.44 4.39 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 0.51 0.00 0.00 140 Y 6.75 5.00 0.00 3.16 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 *142 K 8.01 3.77 0.00 1.63 0.74 0.00 0.70 0.00 0.00 0.84 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.11 7.81 143 N 8.98 5.21 0.00 3.19 3.42 0.00 0.00 6.23 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 0.00 144 V 7.78 4.98 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 1.02 0.00 0.00 0.99 0.00 0.00 145 L 9.16 5.17 0.00 1.91 1.71 1.24 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 146 L 9.06 5.13 0.00 1.74 1.69 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *148 E 8.45 4.43 0.00 1.74 1.74 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 2.17 2.25 0.00 149 F 9.14 4.14 0.00 3.09 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 0.00 150 I 8.85 3.89 1.35 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.36 -0.06 0.00 0.00 151 G 7.19 4.03 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 0.00 0.00 0.00 152 E 8.18 4.79 0.00 2.00 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 2.25 2.43 0.00 153 D 9.61 4.40 0.00 2.75 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 0.00 154 E 8.31 2.83 0.00 1.67 1.12 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 1.47 1.85 0.00 155 L 8.35 4.96 0.00 1.91 1.60 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.57 0.00 1.95 1.88 0.00 3.86 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 157 A 7.99 4.24 1.09 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 0.00 0.00 158 P 0.00 4.76 0.00 2.11 2.07 0.00 3.97 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 2.06 2.01 0.00 159 T 9.57 4.46 4.31 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 1.28 0.00 0.00 160 L 8.55 3.88 0.00 1.39 1.47 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.11 3.50 1.68 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 -0.32 0.00 0.00 0.62 0.00 0.00 162 E 7.55 4.12 0.00 2.07 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 2.34 2.32 0.00 163 L 8.33 4.14 0.00 1.82 1.66 0.96 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.83 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 0.00 0.00 0.00 165 R 9.08 4.03 0.00 1.88 2.04 0.00 3.32 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 166 E 8.28 4.10 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 167 L 7.83 3.83 0.00 1.15 1.09 0.46 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 168 K 7.74 4.22 0.00 1.79 1.91 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.73 1.78 7.81 169 E 7.95 4.61 0.00 1.93 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 2.37 2.47 0.00 170 L 7.59 4.48 0.00 1.68 1.62 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 171 D 7.97 4.34 0.00 2.90 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 0.00 172 V 7.40 3.79 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 0.99 0.00 0.00 1.08 0.00 0.00 173 E 8.24 4.05 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 2.39 2.43 0.00 174 G 8.32 3.63 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 0.00 0.00 0.00 175 I 7.66 3.77 1.91 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.58 0.98 0.00 0.00 176 F 8.29 3.17 0.00 2.39 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 0.00 177 N 8.15 4.10 0.00 2.91 2.79 0.00 0.00 6.72 7.37 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 0.00 178 D 8.03 4.20 0.00 2.84 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 0.00 179 V 7.88 3.71 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.21 0.00 0.00 180 V 7.33 3.36 1.62 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 0.72 0.00 0.00 0.14 0.00 0.00 181 E 8.07 3.84 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 182 N 8.08 4.10 0.00 2.57 1.86 0.00 0.00 6.70 6.96 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 0.00 183 V 8.13 3.76 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.17 0.00 0.00 184 K 8.49 3.89 0.00 1.86 1.95 0.00 1.98 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.68 7.81 185 R 8.08 3.85 0.00 2.08 1.85 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 186 L 8.13 3.94 0.00 1.98 1.95 0.97 1.34 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 0.00 187 Y 8.15 4.13 0.00 3.19 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 0.00 188 Q 8.58 4.20 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 189 E 8.45 4.41 0.00 1.99 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 2.25 2.35 0.00 190 A 8.00 4.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 E 7.92 4.06 0.00 2.08 1.86 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 2.17 2.19 0.00 192 L 8.05 5.18 0.00 1.65 1.52 0.90 1.12 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 0.00 193 V 8.77 4.32 2.27 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 1.30 0.00 0.00 1.21 0.00 0.00 194 H 9.07 3.78 0.00 3.24 3.41 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 A 9.26 3.99 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 0.00 196 D 7.64 4.76 0.00 2.44 2.61 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 0.00 197 L 8.08 4.01 0.00 1.38 1.60 -0.19 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 198 S 7.72 4.49 0.00 4.03 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 0.00 199 E 7.98 3.40 0.00 1.16 1.12 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 1.58 1.49 0.00 200 Y 7.57 4.14 0.00 2.96 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 0.00 201 N 8.25 4.99 0.00 2.61 2.87 0.00 0.00 6.58 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 0.00 202 I 7.08 5.41 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.88 1.18 0.00 0.00 *204 Y 8.17 4.81 0.00 2.97 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 0.00 205 I 7.77 4.06 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.28 0.91 0.00 0.00 206 D 8.32 4.61 0.00 2.78 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 0.00 207 K 6.85 4.67 0.00 1.83 1.72 0.00 1.10 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.14 0.82 7.81 208 V 8.23 4.59 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 209 Y 8.39 5.01 0.00 2.76 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 0.00 210 F 9.21 5.47 0.00 2.81 2.97 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 0.00 211 I 8.03 4.66 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.67 0.91 0.00 0.00 212 D 8.17 5.07 0.00 2.89 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 *214 G 8.62 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 0.00 0.00 0.00 215 Q 7.37 3.66 0.00 0.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.90 0.00 0.00 0.00 0.00 0.00 2.02 1.64 0.00 216 A 7.28 4.74 1.15 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 0.00 0.00 217 V 8.65 4.78 2.18 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 0.86 0.00 0.00 1.15 0.00 0.00 218 T 8.39 4.55 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 1.28 0.00 0.00 219 L 8.16 3.99 0.00 1.52 1.65 0.45 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 220 R 7.83 4.16 0.00 1.81 1.99 0.00 3.23 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 221 H 7.94 4.03 0.00 3.31 3.28 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 P 0.00 4.11 0.00 1.99 2.01 0.00 3.23 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.03 0.00 *224 A 8.06 4.49 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 E 8.12 4.00 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 226 S 7.97 4.15 0.00 3.86 3.63 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 0.00 227 Y 7.84 4.54 0.00 3.27 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 0.00 228 L 8.33 4.11 0.00 2.06 1.94 0.79 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 229 E 8.48 4.17 0.00 2.38 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 2.52 2.61 0.00 230 R 8.24 3.94 0.00 2.20 2.24 0.00 3.22 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 231 D 8.26 4.47 0.00 3.06 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 0.00 232 V 8.23 3.70 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.93 0.00 0.00 233 R 8.76 4.11 0.00 2.08 2.03 0.00 3.11 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 234 N 8.69 4.46 0.00 3.01 2.93 0.00 0.00 7.02 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 0.00 235 I 8.10 4.06 2.22 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.90 1.30 0.00 0.00 236 I 8.34 3.94 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.05 1.00 0.00 0.00 237 R 8.34 3.93 0.00 2.03 2.06 0.00 3.49 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 238 F 8.49 4.28 0.00 3.26 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 0.00 239 F 8.62 4.22 0.00 3.30 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 0.00 240 S 8.22 4.37 0.00 3.99 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 0.00 241 K 7.43 3.82 0.00 0.79 1.21 0.00 1.37 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.24 1.40 7.81 242 Y 7.70 4.42 0.00 2.95 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 0.00 243 G 7.99 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 0.00 244 V 7.54 3.63 1.98 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 0.16 0.00 0.00 0.99 0.00 0.00 245 K 8.34 4.64 0.00 1.71 1.67 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.31 7.81 246 A 8.17 4.67 1.12 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 0.00 0.00 247 D 8.43 5.06 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 0.00 248 F 9.26 4.08 0.00 2.97 3.19 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 0.00 249 E 8.37 3.84 0.00 2.11 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 2.35 2.26 0.00 250 E 7.71 3.76 0.00 1.98 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 0.00 2.31 2.25 0.00 *252 L 7.98 3.99 0.00 1.39 1.46 0.68 0.22 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 0.00 253 K 7.84 3.91 0.00 1.80 1.71 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 254 E 7.77 3.82 0.00 2.22 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 2.28 2.43 0.00 255 V 7.54 3.65 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 0.75 0.00 0.00 0.86 0.00 0.00 256 K 7.71 3.65 0.00 1.58 1.51 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.33 1.30 7.81 257 G 7.74 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.