NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 G 3.9142 8.3129 109.7343 45.9378 0.0000 176.9427 36 M 4.0294 7.9211 120.8550 58.0471 31.5877 178.7465 37 G 3.9217 8.7575 105.9771 48.4203 0.0000 175.5921 38 I 3.8810 7.8811 124.7833 64.4444 37.0006 179.4658 39 V 3.7659 7.5395 120.6894 65.8536 30.3735 181.0093 40 M 4.6254 7.8010 115.7997 56.3297 31.8231 178.2492 41 S 4.5597 8.1127 119.5712 61.6109 62.9594 177.0156 42 L 4.1731 7.5872 124.8809 59.3263 40.5682 183.1383 43 I 4.0069 7.3587 120.2216 64.2535 36.8563 178.6436 44 V 3.5188 7.4234 117.9089 65.9657 31.4768 177.8617 45 L 3.8936 7.6306 118.3135 58.0122 41.8343 178.7213 46 A 4.1067 7.8868 120.1883 54.1251 18.2353 178.4834 47 I 4.2739 7.8198 117.0287 61.4153 37.7108 176.7736 48 V 4.4632 7.7109 120.8135 62.9602 32.9950 176.1779 *49 F 4.6539 7.9824 115.6534 58.7431 40.7129 182.6673 50 G 3.8152 8.0010 108.4313 47.3680 0.0000 173.8310 51 N 4.8692 8.1023 115.6100 53.3122 40.2404 176.4961 52 V 3.9955 7.7372 120.3849 65.7518 30.5321 177.9128 53 L 4.2524 8.0279 121.0634 58.2758 40.8005 181.0515 54 V 4.1410 7.8057 118.7055 66.7119 31.5379 178.3678 55 I 3.7266 7.3328 118.4722 65.2432 35.1134 179.5910 56 T 4.2382 7.7020 112.6564 63.6935 67.2718 176.4688 57 A 4.1473 7.0114 120.8919 55.3230 18.5638 178.9806 58 I 3.7427 7.3508 114.9537 63.5491 38.7296 176.7795 59 A 4.3743 7.2705 120.8033 51.7192 19.1140 177.1238 *61 F 4.5252 7.6965 119.0598 57.7074 40.5429 176.6484 62 E 3.9822 9.0275 127.3875 59.9809 29.6759 179.8001 63 R 4.1797 8.0004 115.8259 58.4204 29.7248 179.9599 64 L 4.3381 7.6634 114.1121 56.0754 41.9861 177.5945 65 Q 4.3787 7.4908 117.2595 55.3752 27.1711 175.6693 66 T 4.7291 7.8479 112.3484 58.6388 73.5720 174.6890 67 V 3.2176 8.1548 120.9609 66.5597 31.6790 178.4300 68 T 3.9844 7.9489 117.3009 66.9361 67.8581 176.0931 69 N 4.7558 7.8886 119.5133 55.5719 37.5025 178.7894 70 Y 4.1562 7.7909 119.4059 59.7693 38.9276 176.2431 71 F 4.9863 7.6392 116.9612 58.6763 39.4707 177.3249 72 I 3.8884 7.3783 117.2872 63.6650 37.9166 177.1898 73 T 4.1126 7.6214 112.4759 64.0295 67.2124 176.4866 74 S 4.3649 7.4752 112.4274 61.4803 62.3664 175.8356 75 L 4.1644 7.9846 120.7363 56.9566 41.2754 179.2100 76 A 4.1151 7.7775 123.1966 55.8236 18.2401 180.0930 77 C 4.0866 8.1472 117.2148 62.9624 27.7894 178.0394 78 A 4.1099 8.1176 122.9074 54.2333 17.6782 178.6350 79 D 4.4631 7.6652 116.4160 56.1530 41.7453 178.2240 80 L 4.3430 8.0159 122.6047 57.3599 42.1507 179.0933 81 V 3.5695 8.1150 118.8633 65.9141 31.5002 177.2147 82 M 4.3096 7.7638 116.5668 56.9319 31.9476 177.3073 83 G 3.8307 7.4356 102.4563 45.6951 0.0000 174.7145 84 L 4.5847 7.6248 118.0956 54.4939 43.0496 176.7610 85 A 4.8616 7.9928 119.2314 51.5512 21.5411 177.3745 86 V 3.9919 7.6895 113.4153 64.7104 32.5487 177.8245 87 V 3.2236 7.4906 116.3336 65.7072 31.6678 175.6996 88 P 4.2071 0.0000 0.0000 65.8239 30.9449 178.6291 89 F 4.3653 7.7819 116.0456 60.4194 39.1412 176.8775 90 G 4.0142 8.4615 107.4646 46.8137 0.0000 173.9307 91 A 4.4769 7.8539 121.7194 52.3915 19.5467 177.3877 *108 F 4.7212 7.7300 118.7331 57.8912 41.3008 176.5825 109 W 4.2727 8.2992 129.3682 60.1142 30.5141 177.6059 110 T 3.8592 8.0905 114.7065 65.4822 68.0699 177.0612 111 S 4.1255 8.1091 119.5702 62.1468 62.8759 177.0099 112 I 3.6527 7.0769 122.0202 64.4818 35.1054 179.7809 113 D 4.4305 7.3695 120.5248 57.9534 40.8830 179.5894 114 V 3.7090 7.4363 120.0879 65.8722 31.6317 180.5634 115 L 4.1639 7.3043 119.8069 58.3792 42.0355 178.8119 116 C 4.1409 8.0262 116.4482 62.8048 28.0630 176.2310 117 V 3.3815 7.3733 118.9559 66.0350 31.2382 177.6725 118 T 4.2573 8.3205 106.9877 62.3265 68.8661 175.0330 119 A 4.6680 7.8352 126.6958 54.0193 20.5274 179.1719 120 S 3.9345 7.6037 118.1528 63.0110 62.0980 180.9558 121 I 3.7762 7.4104 123.9814 63.8768 37.3891 178.6564 122 E 3.8269 7.8386 118.9151 61.4459 29.7712 184.0866 123 T 4.0203 7.7169 116.7332 65.9901 67.9968 176.9874 124 L 3.8192 8.2259 121.4207 57.8443 41.3802 179.1181 125 C 4.0959 7.4191 118.4070 62.1790 31.4931 175.6423 126 V 3.4407 7.2098 119.4336 65.8354 30.9602 178.1371 127 I 3.7611 7.8588 119.3344 64.4991 36.8716 178.3265 128 A 4.4223 7.7151 120.4429 54.9869 18.1153 179.5858 129 V 3.7576 7.6927 116.5903 65.5054 31.4243 177.8350 130 D 4.4153 8.3940 120.4848 58.1356 41.3391 179.1698 131 R 3.8449 8.7027 121.2616 61.0749 29.3314 180.0423 132 Y 4.2781 7.8394 118.0385 61.2067 38.7475 177.4459 133 F 4.0377 8.4446 115.4441 59.0868 38.9868 176.2592 134 A 4.4020 7.1785 119.5788 53.4649 20.1261 179.0494 135 I 3.8357 7.3375 117.8525 64.6634 37.2741 178.2919 136 T 3.7771 7.1669 111.3276 62.9318 67.3039 174.2741 137 S 4.2326 6.5974 113.9223 58.2942 63.0602 171.9314 138 P 4.5280 0.0000 0.0000 64.5162 32.8539 176.5318 139 F 4.2508 8.0558 119.1694 58.4921 38.0243 175.8665 140 K 4.3551 8.6165 116.6911 54.3420 35.0143 175.7194 141 Y 4.3786 8.2906 124.7139 56.6904 36.3244 173.4840 142 Q 4.2834 7.4153 119.1824 54.4339 32.3378 173.7524 143 S 4.3062 8.5970 120.0461 58.4559 63.0099 173.7617 144 L 4.2931 8.3297 123.9067 55.2672 41.9393 177.1206 145 L 4.0571 7.3738 119.8886 54.5396 41.8319 177.8384 146 T 4.2229 8.3796 117.1972 61.4795 71.1861 176.0665 147 K 3.5833 8.4203 126.7307 60.0352 31.5036 179.6377 148 N 4.6811 7.9512 117.2890 54.7420 37.6568 176.5421 149 K 4.0917 7.5769 118.9876 57.2082 32.3485 178.1548 150 A 4.2901 7.7562 121.7022 54.3983 18.7858 179.7272 151 R 3.9823 7.5327 115.5129 59.2886 30.0186 179.4377 152 V 3.6868 7.4457 112.1023 63.6931 31.0807 178.1129 153 I 3.9112 7.3604 111.5696 62.6997 37.7726 178.2725 154 I 3.5444 7.2527 122.5834 64.1527 36.9769 177.9114 155 L 3.5945 7.7912 123.5407 58.6400 41.8641 179.4499 156 M 4.1573 7.6994 120.3613 59.1799 31.2377 181.8810 157 V 3.8003 7.1695 116.8881 65.8375 31.6043 178.3294 158 W 4.3727 7.6704 117.4823 59.7988 29.0054 178.5482 159 I 3.7630 7.6682 119.4054 64.6146 36.3794 178.7686 160 V 3.6116 7.5570 117.5533 65.9246 31.4287 177.6527 161 S 4.3621 7.8936 111.4669 60.2880 62.6066 175.5745 162 G 3.8394 7.9974 108.3396 47.0658 0.0000 175.3332 163 L 4.2962 8.0140 118.6502 55.3561 41.9029 176.0447 164 T 4.4688 6.9718 112.2236 60.0566 70.1522 173.4536 *203 S 4.4481 8.2733 115.1641 57.8503 63.8934 174.6324 204 S 4.6811 8.1057 114.6808 60.7286 63.1821 175.2596 205 I 4.3389 7.7140 120.8719 61.9696 38.5497 177.7505 206 V 3.7911 7.7763 118.8323 64.2638 31.7184 176.1316 207 S 4.6728 8.4320 111.1495 57.7982 63.6757 172.8215 208 F 4.3718 8.0154 121.0838 60.9705 40.5964 176.4009 *209 Y 3.8291 8.0289 122.6202 61.6295 36.6382 180.3452 210 V 4.0885 8.1092 119.1707 65.7028 31.8366 176.9792 211 P 4.2756 0.0000 0.0000 64.9339 31.2871 177.5182 212 L 4.0043 7.3574 119.8299 56.9040 41.9725 178.2386 213 V 3.6984 8.5792 119.7248 66.3020 31.4460 178.1834 214 I 3.8393 7.7361 112.3473 64.1180 37.6343 177.7246 215 M 4.1160 7.7322 119.3479 58.1499 31.9677 178.2176 216 V 3.8640 7.8234 118.2682 65.3988 31.7468 178.0642 217 F 4.0857 8.1109 117.3030 60.3921 38.4618 178.0252 218 V 3.4952 8.3576 118.3854 66.1621 31.4012 177.4250 219 Y 4.2763 7.8459 117.9626 60.3348 38.5755 177.4232 220 S 3.9237 8.1125 114.4379 61.2784 62.4757 176.0470 221 R 3.9506 8.2807 121.5992 59.3070 29.6982 178.7452 222 V 3.5697 7.4277 117.4705 66.1206 31.2794 177.8920 223 F 4.0614 7.9318 120.2522 61.0846 39.1542 177.2414 224 Q 3.8356 7.9420 117.5830 58.9424 28.6778 178.0799 225 E 3.8863 8.1600 120.0640 58.9672 29.5210 178.3898 226 A 3.6102 8.4490 123.1706 54.3280 17.7866 179.9672 227 K 3.9435 7.1221 122.1405 58.9861 32.0521 184.3412 228 R 4.0530 7.5017 118.8165 59.3937 30.3793 178.0413 229 Q 4.0822 8.0921 119.1080 58.5063 28.8531 177.3499 230 L 4.1348 7.4081 121.4040 57.6446 42.1439 177.4391 231 Q 4.5469 7.7101 118.1953 56.3930 29.1064 176.4568 232 K 4.3066 7.7319 115.9982 54.6481 32.0513 180.8279 233 I 3.9040 7.3730 119.0601 61.6418 37.8673 175.2714 234 D 4.3151 8.6453 123.1140 54.3874 41.2623 177.0638 235 K 4.0673 8.8128 128.3489 59.6480 32.6685 177.9936 236 S 4.3399 8.4670 114.8087 60.8917 62.8702 173.3681 237 E 3.9239 8.2321 121.5655 59.5364 28.5170 175.5513 238 G 3.9617 8.4755 114.9715 45.4372 0.0000 173.4088 239 R 4.4124 7.9252 113.2301 55.4750 31.0040 175.2933 240 F 4.8760 7.9142 117.3301 57.8985 39.4637 175.8657 241 H 3.5662 7.4654 117.3305 58.6311 30.7738 173.5547 242 V 4.1695 7.6772 124.9583 63.9982 37.7785 174.2836 *263 K 4.0696 7.9516 119.3227 53.8352 32.8906 176.7271 264 F 4.0802 8.8596 127.0000 57.2506 39.7855 173.8716 265 C 4.5448 7.1357 121.6528 55.8601 32.3716 173.7918 266 L 3.7853 8.2302 119.4029 57.9575 41.7561 179.1838 267 K 4.0029 7.6283 119.5009 59.4280 32.1860 178.0408 268 E 3.9381 7.4789 114.9334 57.6669 29.4300 177.2818 269 H 4.6093 7.3706 118.1807 56.6892 30.2556 175.6880 270 K 4.3785 7.8083 118.5725 57.3501 32.3571 177.8183 271 A 4.1992 7.8581 121.2999 54.1745 18.4309 178.4424 272 L 4.6624 7.9086 115.6346 55.3904 42.2935 178.4916 273 K 4.1093 7.3661 121.2283 59.6374 32.0394 178.5594 274 T 3.9855 8.0336 113.1295 64.5987 67.1111 175.6970 275 L 4.4375 7.8223 119.1774 56.3289 41.6898 178.9313 276 G 4.0253 8.1574 107.3785 46.2237 0.0000 175.6217 277 I 3.9694 7.7350 115.0298 63.2314 36.7108 177.9228 278 I 3.8815 7.7009 121.2178 63.9084 37.5687 177.5779 279 M 4.3799 7.5166 118.1627 57.2650 31.9521 182.2090 280 G 4.1002 7.4749 101.8321 46.1796 0.0000 174.7876 281 T 4.3454 7.7673 114.9974 63.9158 67.9787 176.1738 282 F 4.2741 7.8428 122.2581 61.1003 39.2981 177.1254 283 T 4.0686 8.0045 112.6495 64.9976 67.2576 175.7386 284 L 4.3490 7.9105 116.9545 56.1099 42.0553 176.9831 285 C 4.4333 7.9306 116.3105 59.6009 29.3136 174.8094 286 W 4.9716 7.8171 119.3038 56.6264 30.9265 177.8121 287 L 4.4398 8.6267 120.4805 56.9430 40.6490 182.5910 288 P 4.3484 0.0000 0.0000 65.0454 31.6218 177.9303 289 F 4.1556 8.2982 119.6048 61.1692 39.3700 176.2693 290 F 3.8718 7.8704 116.8938 59.1665 39.0559 177.2226 291 I 3.7980 7.8639 121.7748 64.0810 37.5210 177.2311 *307 V 4.0975 7.8326 121.0392 63.6742 33.0205 177.5946 *308 Y 4.1044 7.8576 123.1924 62.4574 36.1225 180.4742 309 I 4.2392 7.7099 119.7825 64.5793 35.8007 181.3232 310 L 4.3501 7.7265 119.8484 58.3012 41.8376 178.6481 311 L 4.1213 8.1612 118.9506 57.1297 41.4469 178.0594 312 N 3.9005 7.9352 115.0194 54.4245 38.9792 175.6001 313 W 4.5604 7.6612 127.7382 59.8472 31.3349 177.9066 314 I 3.7771 7.7241 120.0878 63.8107 36.0048 178.4950 315 G 2.0000 6.7153 106.7427 46.7278 0.0000 174.7923 316 Y 4.4499 6.5234 115.7863 59.1883 38.0093 177.8379 317 V 3.5203 7.2165 120.4403 65.1076 31.4110 176.7464 318 N 4.6996 7.5691 113.7746 54.2430 37.2191 176.1809 319 S 5.5786 7.1956 117.9977 58.6972 63.4386 174.7627 320 G 4.0367 7.8171 111.1383 45.7792 0.0000 174.3770 *321 F 4.5137 7.8108 119.3080 57.7850 39.4022 182.0176 322 N 4.4042 8.3806 117.7425 56.1331 38.3225 175.0493 323 P 4.4548 0.0000 0.0000 64.6559 32.1996 178.4324 324 L 4.1343 7.7115 123.4788 59.3703 41.0762 184.3111 325 I 4.1457 7.9103 115.1555 63.8199 37.5624 177.4187 *326 Y 4.4768 7.1974 119.9545 60.2080 36.6641 180.3525 327 C 4.6737 7.7173 116.7643 62.1803 30.4149 174.7154 328 R 4.4301 7.4838 122.0063 55.7527 29.9231 176.6591 329 S 4.7836 7.8580 114.4611 59.0848 70.0800 173.1579 330 P 5.0183 0.0000 0.0000 61.1766 33.7241 173.8733 331 D 4.4239 8.7021 118.0527 57.5901 41.6485 179.4160 *332 F 3.9421 8.3436 120.7265 61.9007 37.7206 181.9579 333 R 4.4103 8.2964 117.5323 60.2964 29.8591 178.4378 334 I 3.7724 8.0585 118.8942 63.8736 37.0274 178.3544 335 A 3.5978 7.7071 121.3251 55.1992 18.0826 179.5258 336 F 4.1244 8.6425 115.8457 60.8079 38.7733 177.5413 337 Q 4.1691 8.2500 118.8845 58.8249 28.8751 178.1890 338 E 3.9888 8.0509 119.5148 59.3533 29.4426 178.9612 339 L 4.3570 7.8796 116.6006 56.2505 41.2036 177.1288 340 L 4.7939 7.5321 119.0238 55.6805 42.9839 176.2029 341 C 4.2438 8.7862 109.3843 60.1778 29.1163 173.2184 342 L 3.5582 7.5095 118.3817 57.1798 38.6039 175.7447 343 R 3.3778 6.5815 113.7906 59.8306 31.4000 176.1077 344 R 4.4753 7.8165 112.9030 57.6592 34.2187 176.2809 345 S 4.7400 7.9973 110.0839 58.4003 62.4673 173.4331 346 S 4.3008 7.6957 119.0437 57.9914 62.0554 173.6035 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 35 G 8.31 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.92 4.03 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.24 0.00 37 G 8.76 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 38 I 7.88 3.88 1.87 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 1.50 1.13 0.91 0.00 0.00 39 V 7.54 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 40 M 7.80 4.63 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.89 0.00 41 S 8.11 4.56 0.00 4.08 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 42 L 7.59 4.17 0.00 1.78 1.67 0.92 0.83 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 43 I 7.36 4.01 2.03 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 1.42 1.17 0.83 0.00 0.00 44 V 7.42 3.52 2.19 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 1.04 0.00 0.00 0.96 0.00 0.00 45 L 7.63 3.89 0.00 1.83 1.82 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.89 4.11 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 47 I 7.82 4.27 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.94 0.00 0.00 48 V 7.71 4.46 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 0.75 0.00 0.00 0.99 0.00 0.00 *49 F 7.98 4.65 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.00 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 0.00 0.00 0.00 0.00 51 N 8.10 4.87 0.00 2.77 3.01 0.00 0.00 6.75 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 52 V 7.74 4.00 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 1.05 0.00 0.00 1.00 0.00 0.00 53 L 8.03 4.25 0.00 1.73 1.66 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.81 4.14 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 1.02 0.00 0.00 1.28 0.00 0.00 55 I 7.33 3.73 1.87 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 1.41 0.56 0.91 0.00 0.00 56 T 7.70 4.24 4.21 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 1.28 0.00 0.00 57 A 7.01 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.35 3.74 1.82 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 0.94 0.00 0.00 59 A 7.27 4.37 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 F 7.70 4.53 0.00 3.17 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 62 E 9.03 3.98 0.00 2.08 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 2.40 2.40 0.00 63 R 8.00 4.18 0.00 1.87 1.83 0.00 3.31 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 64 L 7.66 4.34 0.00 1.88 1.77 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.49 4.38 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 66 T 7.85 4.73 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 1.23 0.00 0.00 67 V 8.15 3.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.78 0.00 0.00 68 T 7.95 3.98 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 1.30 0.00 0.00 69 N 7.89 4.76 0.00 2.68 2.80 0.00 0.00 6.58 8.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.79 4.16 0.00 3.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.64 4.99 0.00 3.15 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 72 I 7.38 3.89 2.09 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 1.46 1.28 0.95 0.00 0.00 73 T 7.62 4.11 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 0.97 0.00 0.00 74 S 7.48 4.36 0.00 4.16 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 75 L 7.98 4.16 0.00 1.91 1.70 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.78 4.12 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 8.15 4.09 0.00 2.89 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 78 A 8.12 4.11 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 D 7.67 4.46 0.00 3.02 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.02 4.34 0.00 1.79 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.12 3.57 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 0.82 0.00 0.00 0.80 0.00 0.00 82 M 7.76 4.31 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 83 G 7.44 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 0.00 0.00 0.00 84 L 7.62 4.58 0.00 1.63 1.68 0.91 1.09 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 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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 0.00 0.00 0.00 0.00 110 T 8.09 3.86 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 1.29 0.00 0.00 111 S 8.11 4.13 0.00 3.52 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 0.00 112 I 7.08 3.65 1.87 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 1.41 0.73 0.91 0.00 0.00 113 D 7.37 4.43 0.00 2.49 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 0.00 114 V 7.44 3.71 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 0.73 0.00 0.00 0.93 0.00 0.00 115 L 7.30 4.16 0.00 1.55 1.75 0.93 1.30 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 0.00 116 C 8.03 4.14 0.00 2.94 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 0.00 117 V 7.37 3.38 1.89 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 0.96 0.00 0.00 0.98 0.00 0.00 214 I 7.74 3.84 1.86 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 1.63 0.99 0.87 0.00 0.00 215 M 7.73 4.12 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 216 V 7.82 3.86 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 0.69 0.00 0.00 0.96 0.00 0.00 217 F 8.11 4.09 0.00 3.14 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 0.00 218 V 8.36 3.50 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 219 Y 7.85 4.28 0.00 3.15 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 0.00 220 S 8.11 3.92 0.00 3.98 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 0.00 221 R 8.28 3.95 0.00 1.99 2.14 0.00 3.32 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 222 V 7.43 3.57 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 1.07 0.00 0.00 1.27 0.00 0.00 223 F 7.93 4.06 0.00 2.67 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 0.00 224 Q 7.94 3.84 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 225 E 8.16 3.89 0.00 2.11 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 2.15 2.19 0.00 226 A 8.45 3.61 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 227 K 7.12 3.94 0.00 1.74 1.81 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.30 7.81 228 R 7.50 4.05 0.00 1.79 2.07 0.00 3.19 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 229 Q 8.09 4.08 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 230 L 7.41 4.13 0.00 2.10 1.78 0.81 0.29 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 0.00 231 Q 7.71 4.55 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 232 K 7.73 4.31 0.00 1.86 1.69 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.38 1.28 7.81 233 I 7.37 3.90 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.21 0.90 0.00 0.00 234 D 8.65 4.32 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 0.00 235 K 8.81 4.07 0.00 1.74 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.56 7.81 236 S 8.47 4.34 0.00 4.06 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 0.00 237 E 8.23 3.92 0.00 2.10 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 2.24 2.35 0.00 238 G 8.48 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 R 7.93 4.41 0.00 1.26 1.79 0.00 3.14 0.00 0.00 3.70 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 240 F 7.91 4.88 0.00 2.99 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 0.00 241 H 7.47 3.57 0.00 3.09 3.23 0.00 5.96 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 242 V 7.68 4.17 2.14 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 0.75 0.00 0.00 0.97 0.00 0.00 *263 K 7.95 4.07 0.00 1.84 1.64 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 264 F 8.86 4.08 0.00 2.95 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 265 C 7.14 4.54 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 0.00 266 L 8.23 3.79 0.00 1.53 1.64 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0.00 0.00 0.00 0.00 0.00 0.00 283 T 8.00 4.07 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 284 L 7.91 4.35 0.00 1.69 1.72 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 285 C 7.93 4.43 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 0.00 286 W 7.82 4.97 0.00 3.43 3.35 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 0.00 287 L 8.63 4.44 0.00 1.58 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 288 P 0.00 4.35 0.00 2.05 2.17 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 289 F 8.30 4.16 0.00 2.88 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 F 7.87 3.87 0.00 2.28 2.44 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 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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 0.00 323 P 0.00 4.45 0.00 2.00 2.45 0.00 3.67 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 1.93 1.94 0.00 324 L 7.71 4.13 0.00 1.67 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 325 I 7.91 4.15 1.89 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 1.73 1.03 0.98 0.00 0.00 *326 Y 7.20 4.48 0.00 2.48 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 0.00 0.00 0.00 0.00 327 C 7.72 4.67 0.00 2.95 2.82 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 0.00 328 R 7.48 4.43 0.00 1.80 1.93 0.00 3.21 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 329 S 7.86 4.78 0.00 4.03 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 0.00 330 P 0.00 5.02 0.00 2.21 2.13 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 331 D 8.70 4.42 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *332 F 8.34 3.94 0.00 2.32 2.31 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 0.00 333 R 8.30 4.41 0.00 2.20 2.03 0.00 3.16 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 334 I 8.06 3.77 1.90 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 1.43 0.83 0.80 0.00 0.00 335 A 7.71 3.60 1.08 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 0.00 336 F 8.64 4.12 0.00 2.99 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 0.00 337 Q 8.25 4.17 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 338 E 8.05 3.99 0.00 2.14 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 2.26 2.42 0.00 339 L 7.88 4.36 0.00 1.86 1.81 0.88 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 340 L 7.53 4.79 0.00 1.73 1.63 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 341 C 8.79 4.24 0.00 3.23 3.02 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 0.00 342 L 7.51 3.56 0.00 1.80 1.76 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 343 R 6.58 3.38 0.00 1.95 1.83 0.00 3.23 0.00 0.00 3.16 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 344 R 7.82 4.48 0.00 1.82 1.81 0.00 3.22 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 345 S 8.00 4.74 0.00 3.87 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 0.00 346 S 7.70 4.30 0.00 3.84 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 * Residues marked with a * may have inaccurate shift predictions.