NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 Y 4.6632 8.1449 121.6723 57.8114 40.4925 176.4905 -3 F 4.5789 7.7379 115.2618 56.5106 38.5183 174.5449 *9 Y 4.7006 8.6858 122.2009 56.7590 40.7573 176.6610 10 L 3.7252 7.1077 122.7667 57.7473 41.7787 179.6873 11 R 3.8972 7.6627 120.3413 61.1561 29.3554 182.1171 12 V 3.2598 7.4632 117.9856 65.7170 31.6359 177.6620 13 A 4.0403 7.9967 120.7422 55.1591 18.1617 179.5582 14 G 3.6045 8.2935 104.4071 48.0809 0.0000 175.1044 15 D 4.3422 8.0574 121.0326 56.9924 41.3451 178.5052 16 L 4.0083 7.9319 119.2944 57.6710 41.5913 179.4196 17 R 3.8631 8.6704 119.1222 59.2510 29.9799 178.3152 18 K 3.9246 8.6569 122.1256 60.2822 32.3657 179.4174 19 K 4.4536 8.3055 123.1235 58.8338 31.6973 180.8969 20 I 4.0329 7.5602 118.7731 64.9423 37.1522 178.3811 21 V 3.6697 8.1315 117.7715 65.7726 31.2551 177.6157 22 D 4.5082 8.1714 118.8101 57.5996 40.8963 177.6702 23 G 4.0595 7.9444 106.6188 45.7201 0.0000 175.2421 24 S 4.2553 8.0102 115.6603 60.2248 62.3670 179.6927 25 L 4.6861 7.3773 120.0525 51.4975 41.2009 174.3070 26 P 4.3723 0.0000 0.0000 62.2153 32.0456 175.7056 27 P 4.4914 0.0000 0.0000 64.2148 30.9642 177.8439 28 H 4.3381 9.0391 115.8900 56.5515 28.0522 175.5417 29 T 4.4604 7.8314 119.7952 63.4077 69.6015 175.3259 30 R 3.9739 8.4158 126.1669 56.4418 30.1889 174.3639 31 L 4.1559 8.9003 126.1211 53.4945 42.9860 174.9652 32 P 4.1139 0.0000 0.0000 62.9571 31.9536 176.9975 33 S 4.2631 8.6289 117.7623 58.4650 64.9085 175.1260 34 Q 3.9716 8.7970 121.7871 59.6149 28.3234 179.7560 35 A 4.0229 7.9447 120.8708 54.9128 18.4584 179.4044 36 R 3.8453 7.7958 116.7873 59.8464 30.2654 178.6610 37 I 3.9964 7.8105 119.4906 64.8076 37.0663 178.4626 38 R 3.9789 8.0111 118.4535 59.3757 29.7815 178.7550 39 E 3.9878 7.8879 118.7549 59.0547 29.6943 178.4597 40 E 3.9702 8.0432 118.9414 58.9399 29.8979 177.4576 41 Y 4.5637 7.9663 113.1412 56.6368 38.5353 175.6015 42 G 3.9934 8.1298 107.9607 46.9124 0.0000 174.0513 43 V 4.4793 7.6375 110.3428 58.3390 35.2492 176.1734 44 S 4.2891 8.3455 115.3049 58.7380 64.1214 174.6095 45 D 4.4138 8.5409 123.3024 57.2518 40.9773 178.5312 46 T 3.8469 7.9244 116.7179 66.4497 68.4786 176.6189 47 V 3.5918 7.8326 119.4424 66.1468 31.5873 177.7644 48 A 3.9997 7.9402 120.1552 54.9170 18.1770 179.3976 49 L 3.9420 7.9537 118.8810 58.4059 42.2043 179.0661 50 E 3.8449 8.6150 118.7443 59.3120 28.9383 179.1427 51 A 4.1361 8.1805 120.8232 55.3227 18.1977 179.7162 52 R 3.9612 7.8079 116.1870 59.3407 30.2157 178.5384 53 K 4.0988 7.8471 117.7938 59.1245 32.2525 179.2352 54 V 3.8446 7.8503 118.6608 65.8492 31.6356 180.0379 55 L 4.2559 7.4852 116.8660 54.6703 40.7259 179.1204 *57 A 4.3019 8.1285 123.6360 52.4024 20.2695 179.2067 58 E 3.9557 8.2369 113.0894 57.3830 29.5362 178.1033 59 G 4.0095 7.7084 107.1436 45.3081 0.0000 174.7247 60 L 4.1993 7.8115 119.9718 56.6661 41.9990 177.4388 61 V 4.9889 7.5478 109.6905 59.5851 35.0187 174.9173 62 E 4.5366 8.9282 118.1097 56.3695 30.9682 175.4754 *69 T 4.2035 7.6495 116.3617 63.9934 70.1375 172.3855 70 Y 5.0212 8.3325 122.8620 55.8430 41.9009 175.0927 71 V 4.0439 8.6878 122.7743 62.9189 32.7641 175.3208 72 R 4.4175 8.8434 130.8597 56.6085 31.1071 177.2378 73 E 4.4460 8.6797 124.1730 54.9991 28.7845 174.5540 74 R 4.2760 7.9795 121.8854 54.2958 30.3325 175.1887 75 P 4.3806 0.0000 0.0000 61.3972 31.9914 176.2330 76 V 3.8993 8.0205 120.6904 61.4260 31.6359 174.2722 77 P 4.4452 0.0000 0.0000 62.8371 32.1991 176.1891 78 R 4.5864 8.8323 121.7916 54.9683 33.1574 175.1689 79 R 4.9862 8.4271 119.3508 54.9223 31.8998 176.6793 80 V 3.9530 8.7997 125.0954 61.3232 32.3419 174.4315 81 A 4.4081 9.0568 131.5523 51.7495 19.2931 176.0333 82 R 4.6564 8.3880 122.8496 54.7292 31.9090 175.9299 83 S 4.5601 8.2759 116.3593 57.7697 65.4393 173.5542 84 G 4.1815 8.6220 109.4841 45.7375 0.0000 172.6006 *85 Y 4.5567 7.4420 118.9234 55.3153 38.9712 182.1594 86 R 4.1627 8.1104 120.4673 57.0632 30.5075 177.0342 *89 S 4.3635 8.1062 108.9816 55.6506 64.4854 169.7712 90 G 3.9154 8.5208 106.5450 46.0168 0.0000 173.2922 91 A 4.2305 7.8521 121.7676 51.8921 19.3137 178.3341 92 T 5.0424 7.8387 111.8905 58.1161 72.9613 173.3315 93 P 3.8757 0.0000 0.0000 65.3302 31.0445 178.8673 94 F 3.6181 7.2797 118.9277 61.2703 39.3419 177.1339 95 R 4.3236 7.8736 118.0509 58.8089 29.8486 177.8971 96 Q 3.9748 7.8180 118.8785 58.5041 29.0785 177.1217 97 E 4.3132 6.9547 116.6444 55.7565 30.4004 175.7239 98 Q 3.9266 7.6093 119.2290 53.6405 30.0041 175.1387 99 A 3.8996 8.4736 129.3570 54.3328 18.8239 175.6835 100 D 4.4439 8.3425 116.6358 54.1509 40.1640 177.0739 101 G 3.7946 8.5648 112.2071 46.8170 0.0000 171.5180 102 A 4.6426 7.7776 120.5441 51.5685 19.5161 176.6964 103 V 4.3238 7.9948 119.3409 61.3461 33.3402 177.3775 104 R 4.3600 8.3359 123.3753 55.3931 29.1637 174.0140 105 G 3.3838 7.7531 111.7528 43.3310 0.0000 169.8346 106 T 5.1087 7.9563 111.5997 59.8115 73.0585 172.1625 107 W 6.1471 7.9087 116.9356 55.6971 31.0700 173.8735 108 E 4.9360 8.9669 121.2436 55.3557 31.9551 174.7509 109 S 5.0186 8.2454 114.6479 57.5814 66.5132 172.7894 110 H 4.4827 8.5512 119.9651 54.6000 32.7903 171.9586 111 S 5.2110 8.1744 121.6054 56.8543 64.9493 173.1981 112 E 4.6850 8.6883 120.5180 55.3238 32.3900 175.0097 113 Q 4.6427 8.6282 119.8821 56.2747 30.0472 175.0481 114 A 4.7110 8.7073 121.8150 50.8457 23.3378 175.2517 115 E 4.6319 8.7115 119.2834 55.5805 30.6454 176.8115 116 A 4.1541 9.2821 127.5633 51.7191 19.6651 177.7113 117 S 4.5474 8.6354 117.3099 57.6012 64.3257 175.5089 118 G 3.6186 8.7604 106.7522 47.9638 0.0000 175.6122 119 A 3.9074 7.7610 122.7782 54.9547 18.4891 179.7126 120 I 3.3039 7.4857 118.1084 64.1591 37.0367 178.4895 121 A 3.9193 8.2948 122.1144 55.0890 18.1665 179.3416 122 E 3.8552 8.1469 117.7561 59.5638 29.5402 179.2692 123 R 3.9806 7.7612 116.8713 58.4801 30.1561 177.9882 124 L 4.4425 7.8861 118.3579 53.7721 43.0957 176.4919 125 D 4.4402 7.8589 117.6100 54.2461 37.4436 177.5744 126 I 4.8013 8.0160 112.5894 58.6812 41.5342 175.9206 127 R 3.9740 8.2444 120.4547 55.5865 30.3452 175.0736 128 P 4.4254 0.0000 0.0000 64.3950 31.8161 176.1583 129 G 4.0505 8.9174 110.8215 45.2656 0.0000 173.7855 130 E 4.0801 7.9103 120.5391 56.7398 30.9885 176.6064 131 R 4.8839 8.5306 123.8989 55.0688 32.1046 175.4992 132 V 5.0776 8.9368 117.0487 60.0316 35.4262 177.0092 *134 C 4.6186 8.7389 130.5234 60.5256 32.7445 171.3349 135 T 4.8453 8.7782 122.7209 61.6661 71.4979 172.9246 136 K 5.0271 8.7897 126.5311 55.0858 34.5236 175.2106 137 Y 5.2716 9.5144 122.0589 56.1171 42.0048 174.7811 138 V 4.5028 8.4883 122.0522 61.2573 34.2269 174.3175 139 F 5.6343 8.8380 126.3040 56.2331 41.8775 174.9655 140 R 5.0666 9.2286 120.3837 54.5907 34.2249 174.1720 141 D 4.8733 9.7599 123.9131 52.3596 42.1358 176.1942 142 A 3.7030 9.5287 132.6987 53.2083 16.5076 177.8860 143 G 3.9482 8.4601 108.9325 45.4525 0.0000 172.9881 144 E 4.4819 7.7163 121.2362 54.0430 30.8193 175.8223 145 V 4.6026 8.0190 125.1382 62.2965 32.6464 174.3557 *148 L 4.5237 8.0166 120.9668 54.9206 43.2727 176.2350 149 S 5.3496 8.9988 114.0912 57.6489 67.1136 172.8849 150 T 4.9101 8.8269 117.8722 61.7637 71.5179 173.0042 151 S 5.0284 8.6368 120.6276 56.1061 65.8899 172.5271 152 W 5.2539 9.4289 126.1726 54.9726 32.5553 174.2753 153 E 5.0869 8.7307 122.2890 53.8065 33.4503 173.4908 154 P 4.6446 0.0000 0.0000 62.2616 32.2516 177.7392 155 L 3.9992 8.5672 122.7161 57.0844 41.7458 179.1674 156 A 4.2839 8.0395 120.6203 54.1821 18.6927 178.1407 157 V 4.1092 7.9896 114.9431 64.4990 32.5161 176.8012 158 T 4.3715 7.6678 107.6393 61.4280 69.8607 174.6111 159 G 3.6399 8.1988 112.7706 47.1372 0.0000 173.4530 160 R 3.8814 8.7423 122.2662 57.5005 27.5067 175.8452 161 T 4.7553 7.3326 105.6829 58.9424 71.7220 172.2718 162 P 4.3533 0.0000 0.0000 64.3794 31.3886 177.6179 163 V 4.0053 7.0413 112.1582 59.1020 30.9454 173.6471 *165 L 4.0616 7.8927 122.0282 53.5586 42.5486 176.1939 166 P 4.3313 0.0000 0.0000 64.9797 31.6632 177.6763 167 E 4.7793 8.0845 116.4877 55.6703 30.0951 174.9408 168 E 4.8061 7.8813 116.7611 56.0029 34.1896 176.2644 169 G 3.8728 8.5746 108.3787 44.2538 0.0000 172.3394 170 P 4.2888 0.0000 0.0000 64.6660 31.3700 177.5855 171 V 4.2660 7.6393 115.0782 62.0026 31.9913 175.6094 172 G 3.6932 7.7123 107.7695 47.4324 0.0000 173.4011 173 G 4.0867 8.7113 110.6315 45.7894 0.0000 172.4182 *175 G 3.6967 7.3204 109.9165 45.2724 0.0000 172.4542 176 V 3.4045 8.5577 118.7342 65.8536 31.6318 177.5342 177 V 3.4847 7.4249 117.6512 65.9356 31.8471 176.8362 178 E 4.0801 8.1419 118.8025 59.6705 29.5101 180.1074 179 R 3.7714 7.8834 114.5013 56.8334 29.6797 178.3368 *181 A 4.1305 8.0773 123.3710 52.1379 20.3458 179.7424 182 A 4.1195 7.8667 118.0150 54.2954 17.3408 178.1361 183 I 4.4193 7.2721 108.9268 60.4459 37.8550 175.4507 184 D 4.2588 7.6993 117.3968 56.3525 38.5480 174.2922 185 V 4.0845 7.1268 116.7983 61.2405 32.0912 175.3453 186 I 4.0983 8.0299 129.8371 59.5660 36.4683 175.3469 187 V 4.1246 8.1838 126.3389 62.9100 31.6154 175.2130 188 D 5.0751 9.0305 125.4608 53.1344 40.7844 175.3458 189 N 5.3518 8.1246 115.9554 52.1269 43.4962 173.5527 190 V 5.0685 8.3497 119.8079 60.5642 34.7467 174.4738 191 T 4.7031 9.2722 121.0007 62.0111 70.9267 173.4305 192 E 5.0797 8.6955 124.3585 54.7129 33.1890 174.6652 193 E 4.5782 9.0322 124.6275 54.5234 32.2021 175.1693 194 V 4.6626 8.5260 125.3347 61.4718 32.9584 174.8276 195 G 4.4273 9.0660 114.6582 44.2972 0.0000 170.8306 196 A 5.4579 8.3035 120.0442 50.3901 22.2299 175.6752 197 R 4.6481 8.6387 116.1047 54.2304 33.3335 172.7238 198 P 4.5826 0.0000 0.0000 62.7939 31.9805 176.6886 199 G 3.8956 8.6073 110.3293 45.7208 0.0000 173.8915 200 L 4.2937 9.1896 122.5402 54.0619 42.6458 178.1884 201 A 4.0734 9.0526 126.1272 56.5047 17.9414 180.9406 202 E 4.0055 8.1958 115.8262 60.9387 29.8286 180.9169 203 E 4.1424 8.0848 117.7657 59.7319 29.7638 179.0803 204 L 4.0804 8.1587 119.2184 57.8964 41.4315 179.7029 205 L 4.1179 8.0358 118.2996 57.8602 41.5747 179.4508 206 T 3.9974 7.4058 114.9037 66.4702 68.5919 176.4758 207 L 4.2954 8.2331 118.7753 54.8522 41.9920 177.2380 208 G 3.7611 8.6801 107.2791 46.4129 0.0000 173.8677 209 G 4.1399 7.9168 107.0739 43.5725 0.0000 174.4827 210 V 4.0508 7.9017 112.5091 59.2612 32.7155 174.2752 211 P 4.3046 0.0000 0.0000 64.7082 31.5416 175.9662 212 G 4.0416 9.1909 110.7144 45.3414 0.0000 173.2285 213 H 4.1192 8.4618 119.8522 56.9494 30.6253 174.9237 214 V 4.2673 8.6126 125.0285 63.1092 33.0721 174.9046 215 V 4.7271 9.0071 118.9006 59.4876 36.0107 174.4581 216 L 4.8924 8.8463 122.9484 53.8598 43.6305 176.1379 217 V 4.6488 8.8748 123.0419 61.2866 34.4943 174.3961 218 I 4.5523 8.8554 130.8260 60.2662 38.5664 175.4202 219 Q 4.6964 9.3922 131.0707 55.3338 29.1685 173.8310 220 R 5.1353 9.0396 127.5567 54.8801 32.6702 174.9710 221 T 4.9248 8.8834 122.0078 62.0969 72.6873 172.6711 222 Y 5.0268 8.6747 124.5459 57.3824 39.8601 174.5811 223 F 5.3286 9.5669 121.3991 55.7031 42.9198 174.0545 224 A 4.9299 9.0429 125.6470 49.3239 20.2882 176.5567 225 S 3.7109 9.8298 120.5077 60.5818 60.7334 174.0963 226 G 3.9786 8.6907 108.5737 45.0561 0.0000 173.5681 227 R 4.6634 7.5907 120.7957 53.6161 31.4922 173.6480 228 P 4.3616 0.0000 0.0000 62.8754 31.8125 176.3357 229 V 4.4517 8.0456 114.1375 61.3922 34.1297 175.3837 230 E 5.0333 7.8179 119.6480 55.4762 33.0652 173.5613 231 T 5.2456 8.9682 118.6088 61.0214 71.5028 172.2002 232 A 5.2831 9.3661 127.2326 51.1548 23.6512 174.8783 233 D 5.3121 9.0662 120.1872 52.8837 43.1045 175.6989 234 V 4.7761 8.7200 124.8605 61.1520 33.5393 174.5131 235 V 4.9642 9.1514 128.3777 61.2476 33.6358 175.0711 236 V 4.6545 8.5260 120.4354 58.4440 36.3537 173.4541 237 P 4.5057 0.0000 0.0000 62.6555 31.5360 177.1403 238 A 4.0772 8.5768 127.1410 55.1481 18.4650 179.1060 239 D 4.2301 8.3075 113.5042 55.4020 39.8779 176.8277 240 R 4.4454 7.7161 117.2992 55.9396 32.8904 175.1921 241 Y 5.3614 7.9445 114.7641 56.1125 41.6593 175.1998 242 R 4.7901 8.8629 120.4451 54.4262 34.2026 174.7630 243 V 4.4584 8.4047 121.4667 61.7063 32.8835 174.7094 244 A 4.7623 8.6402 130.1064 50.3064 21.2601 174.6473 245 Y 4.9472 8.6297 119.4919 56.3701 41.4815 175.1748 246 H 4.8436 8.9351 118.7618 54.0884 31.5012 173.0645 247 L 4.8918 8.3428 123.7991 52.0820 44.7063 174.7780 248 P 4.3819 0.0000 0.0000 62.2407 32.0404 176.3489 249 V 4.1373 8.3684 124.0070 61.9321 32.1529 176.3671 250 K 4.2283 8.5236 127.8850 54.6169 31.8588 173.0597 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 -4 Y 8.14 4.66 0.00 2.67 2.65 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 0.00 0.00 0.00 0.00 -3 F 7.74 4.58 0.00 3.14 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 *9 Y 8.69 4.70 0.00 3.20 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.11 3.73 0.00 1.26 1.44 0.66 0.75 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 11 R 7.66 3.90 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 12 V 7.46 3.26 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 0.49 0.00 0.00 0.63 0.00 0.00 13 A 8.00 4.04 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 14 G 8.29 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.34 0.00 2.99 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 16 L 7.93 4.01 0.00 1.72 1.71 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.67 3.86 0.00 1.91 2.11 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 18 K 8.66 3.92 0.00 1.97 2.02 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 K 8.31 4.45 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.35 7.81 20 I 7.56 4.03 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 0.92 0.00 0.00 21 V 8.13 3.67 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 0.83 0.00 0.00 0.95 0.00 0.00 22 D 8.17 4.51 0.00 2.77 2.77 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 23 G 7.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.01 4.26 0.00 3.64 3.81 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 25 L 7.38 4.69 0.00 1.65 1.64 0.94 0.89 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 26 P 0.00 4.37 0.00 2.24 2.21 0.00 3.83 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 27 P 0.00 4.49 0.00 2.11 1.90 0.00 3.84 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 1.95 1.64 0.00 28 H 9.04 4.34 0.00 3.27 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.83 4.46 4.48 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 1.22 0.00 0.00 30 R 8.42 3.97 0.00 1.60 1.72 0.00 3.26 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 31 L 8.90 4.16 0.00 1.54 1.67 0.93 -0.06 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 32 P 0.00 4.11 0.00 2.12 2.06 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 33 S 8.63 4.26 0.00 4.02 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 34 Q 8.80 3.97 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 35 A 7.94 4.02 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 36 R 7.80 3.85 0.00 1.96 2.01 0.00 3.11 0.00 0.00 3.18 7.54 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 -0.36 0.45 0.00 0.00 121 A 8.29 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.15 3.86 0.00 2.11 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 0.00 2.29 2.34 0.00 123 R 7.76 3.98 0.00 1.88 1.93 0.00 3.13 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 124 L 7.89 4.44 0.00 1.65 1.68 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 125 D 7.86 4.44 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.02 4.80 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.12 0.99 0.00 0.00 127 R 8.24 3.97 0.00 2.01 1.90 0.00 3.30 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 128 P 0.00 4.43 0.00 2.01 1.97 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 138 V 8.49 4.50 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 0.91 0.00 0.00 0.59 0.00 0.00 139 F 8.84 5.63 0.00 3.11 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 9.23 5.07 0.00 1.76 1.81 0.00 3.13 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 141 D 9.76 4.87 0.00 2.86 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 0.00 142 A 9.53 3.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.46 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 0.00 144 E 7.72 4.48 0.00 2.07 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 0.00 2.28 2.26 0.00 145 V 8.02 4.60 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.93 0.00 0.00 *148 L 8.02 4.52 0.00 1.45 0.94 0.43 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 149 S 9.00 5.35 0.00 4.06 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 0.00 150 T 8.83 4.91 3.82 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 0.00 0.00 0.21 0.00 0.00 151 S 8.64 5.03 0.00 3.90 3.81 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 0.00 152 W 9.43 5.25 0.00 3.30 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 0.00 153 E 8.73 5.09 0.00 1.91 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 2.49 2.38 0.00 154 P 0.00 4.64 0.00 2.19 1.99 0.00 3.68 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 2.12 2.12 0.00 155 L 8.57 4.00 0.00 1.76 1.73 0.95 0.58 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 0.00 156 A 8.04 4.28 1.33 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.33 0.00 2.25 2.20 0.00 3.52 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 2.13 2.15 0.00 167 E 8.08 4.78 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 168 E 7.88 4.81 0.00 1.85 1.80 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 2.24 2.26 0.00 169 G 8.57 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 0.00 170 P 0.00 4.29 0.00 2.06 2.13 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 171 V 7.64 4.27 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 0.81 0.00 0.00 0.94 0.00 0.00 172 G 7.71 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 0.00 173 G 8.71 4.09 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 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0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 201 A 9.05 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 E 8.20 4.01 0.00 1.99 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 2.31 1.97 0.00 203 E 8.08 4.14 0.00 2.18 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 2.51 2.56 0.00 204 L 8.16 4.08 0.00 1.85 1.91 1.08 1.01 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 0.00 205 L 8.04 4.12 0.00 1.64 1.73 0.94 1.21 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 0.00 206 T 7.41 4.00 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 1.00 0.00 0.00 207 L 8.23 4.30 0.00 1.65 1.74 0.88 0.95 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 0.00 208 G 8.68 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.97 0.00 0.00 218 I 8.86 4.55 1.86 0.00 0.00 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 1.15 0.51 0.98 0.00 0.00 219 Q 9.39 4.70 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 220 R 9.04 5.14 0.00 1.80 1.66 0.00 2.67 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 221 T 8.88 4.92 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 0.57 0.00 0.00 222 Y 8.67 5.03 0.00 2.85 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 0.00 223 F 9.57 5.33 0.00 2.96 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 0.00 224 A 9.04 4.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 S 9.83 3.71 0.00 4.11 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 0.00 226 G 8.69 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 R 7.59 4.66 0.00 1.85 2.00 0.00 3.13 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 228 P 0.00 4.36 0.00 2.11 1.63 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.22 0.00 229 V 8.05 4.45 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 0.66 0.00 0.00 0.98 0.00 0.00 230 E 7.82 5.03 0.00 2.06 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 2.57 2.50 0.00 231 T 8.97 5.25 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 1.35 0.00 0.00 232 A 9.37 5.28 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 0.00 233 D 9.07 5.31 0.00 2.82 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 0.00 234 V 8.72 4.78 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 0.87 0.00 0.00 0.87 0.00 0.00 235 V 9.15 4.96 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 0.84 0.00 0.00 1.07 0.00 0.00 236 V 8.53 4.65 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 0.47 0.00 0.00 0.91 0.00 0.00 237 P 0.00 4.51 0.00 2.53 2.31 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 238 A 8.58 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 D 8.31 4.23 0.00 2.80 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 0.00 240 R 7.72 4.45 0.00 1.48 1.51 0.00 2.99 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 241 Y 7.94 5.36 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 R 8.86 4.79 0.00 1.77 1.81 0.00 3.13 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 243 V 8.40 4.46 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 0.56 0.00 0.00 0.91 0.00 0.00 244 A 8.64 4.76 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 0.00 245 Y 8.63 4.95 0.00 2.78 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 0.00 246 H 8.94 4.84 0.00 3.11 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 L 8.34 4.89 0.00 1.60 1.54 0.88 1.18 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 0.00 248 P 0.00 4.38 0.00 2.05 1.98 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 249 V 8.37 4.14 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 0.79 0.00 0.00 0.93 0.00 0.00 250 K 8.52 4.23 0.00 1.80 1.54 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.28 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.