NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3283 8.1227 122.4642 51.8395 20.4732 174.9972 32 E 4.6762 8.7158 123.3573 53.6655 31.6855 169.5581 33 V 4.2809 8.8018 127.3683 60.8954 34.8097 173.7155 34 L 4.7161 8.5534 128.2426 54.5722 41.6267 176.6420 35 L 4.4123 9.2912 125.4506 56.8101 42.6444 177.3545 36 L 4.9046 7.8291 118.7544 53.5213 46.2997 174.7151 37 D 5.2549 8.6745 123.8788 52.7353 43.8657 176.1191 38 S 4.2406 9.2735 122.0038 60.7718 63.0549 175.3636 39 K 4.1591 8.3105 118.2810 56.2772 34.5692 179.1056 40 A 3.5218 7.8694 122.5055 53.6392 18.4716 177.4975 *46 E 4.5388 9.2997 116.3696 57.1293 31.6126 176.5840 47 W 4.5714 8.3721 117.8951 56.8801 29.8993 175.9103 48 I 4.1439 8.3562 124.6875 60.8945 38.5427 174.5983 49 S 5.3918 8.7955 125.3911 57.3547 65.1016 174.0074 50 S 4.6024 9.2506 118.7504 56.3351 65.2484 171.9344 51 P 4.8798 0.0000 0.0000 61.4527 32.2473 175.5717 52 P 4.3228 0.0000 0.0000 65.7686 31.3008 177.3086 53 N 4.8345 8.2296 113.1054 53.3143 40.0628 174.9775 54 G 3.6287 8.4491 109.5043 45.8085 0.0000 176.5287 55 W 4.4706 9.5612 117.4147 56.8529 30.5552 176.2540 56 E 4.8791 9.3930 124.0329 54.3722 32.6795 174.7416 57 E 4.3351 8.9764 125.4358 55.9517 30.8708 175.6738 58 I 4.6528 8.6272 127.5194 59.5156 40.7784 174.7377 59 S 4.9238 8.2868 121.1438 56.8408 65.7530 174.3040 60 G 4.0877 7.6294 105.7636 46.9807 0.0000 172.2541 61 L 5.2931 8.7413 122.3807 52.8100 45.1243 176.1583 62 D 4.7112 8.5052 121.8949 52.0876 41.1305 176.9615 63 E 3.7656 8.5399 117.5835 59.1536 29.3430 177.8160 64 N 4.3023 8.0694 114.2851 52.7346 38.6080 174.8695 65 Y 3.7916 7.4791 114.3313 59.0257 36.0345 169.1677 66 T 4.3114 7.8408 117.4812 62.3546 69.8328 172.4662 67 P 4.8736 0.0000 0.0000 62.8046 32.1729 175.6784 68 I 4.7053 9.0794 117.4278 59.0502 41.5129 174.3596 69 R 4.8050 8.3690 121.0301 54.5158 32.8792 175.0906 70 T 4.7689 8.7635 113.9148 60.0136 72.4738 172.7088 71 Y 5.2185 9.0761 119.9998 56.5390 41.4817 174.6592 72 Q 5.2912 9.3851 123.1888 54.1657 33.1727 175.0538 73 V 4.3325 8.3459 121.7113 59.9283 34.8203 174.6502 74 C 5.0928 7.8532 124.1913 55.7967 42.7595 174.9008 75 Q 4.2676 7.4719 122.6267 55.2148 28.1544 177.9925 76 V 3.6509 7.2865 111.2154 63.0068 32.7217 178.6222 77 M 4.0403 7.8878 118.4142 56.3000 32.5365 175.9375 78 E 4.5772 7.3788 118.2695 53.8650 31.0909 174.2362 79 P 4.3882 0.0000 0.0000 63.0626 33.0126 175.0189 80 N 4.1089 8.4659 115.5392 54.7704 36.9529 174.1223 81 Q 4.3788 7.4631 118.6478 55.7713 30.7478 176.2837 82 N 5.2816 8.3218 119.0494 52.3213 39.6315 172.2606 83 N 5.2462 9.1543 118.2615 51.6728 40.8210 174.9786 84 W 5.1252 9.6085 124.6554 54.8156 32.4019 174.9239 85 L 5.0645 8.6504 124.8267 53.2410 44.4726 174.9511 86 R 4.9992 8.7316 126.3600 54.4632 33.1238 175.2399 87 T 2.4800 8.0502 116.9248 60.0991 69.9827 173.7838 88 N 4.7326 8.0042 119.2049 51.8836 38.1327 174.4799 89 W 3.6980 8.9365 129.2751 57.8093 31.6188 174.9808 90 I 3.9025 7.0845 127.5153 58.8724 39.0538 174.9499 91 S 3.7013 7.7825 122.9456 57.7435 62.5970 174.3818 92 K 4.1135 8.7950 126.3795 57.4433 33.9745 178.2608 93 G 3.7313 7.6569 109.7691 47.9035 0.0000 174.3492 94 N 4.6675 8.7497 121.8702 51.5751 37.5473 173.7575 95 A 3.2031 7.0026 123.7075 53.4190 19.6645 177.4571 96 Q 4.1125 8.1548 117.2986 55.5987 29.6913 176.8201 97 R 4.4285 8.3261 114.2698 56.3074 32.0855 176.8615 98 I 4.4154 8.5783 123.6385 59.4473 40.6503 174.5024 99 F 4.9228 8.8017 125.5473 55.9172 41.2646 175.0062 100 V 4.9150 8.8584 122.6632 61.1747 34.2970 173.5550 101 E 5.3008 9.8786 129.6542 54.5229 32.0257 174.2759 102 L 5.4491 9.3421 127.0721 52.9937 45.0629 175.4062 103 K 5.3321 9.0560 123.1524 54.7049 35.0584 175.2158 104 F 5.4505 8.7142 118.2824 56.2568 41.7757 173.1860 105 T 4.8318 8.8284 110.7959 60.4806 71.7233 173.5873 106 L 4.9583 8.1599 124.5425 54.0580 44.6965 175.3403 107 R 4.1881 8.5584 126.7771 56.0434 30.9024 176.7092 108 D 4.6382 8.7196 123.6468 54.2722 41.6844 178.2857 109 C 4.2777 9.1692 121.9445 59.9988 40.3585 175.3627 110 N 4.4623 8.1916 115.0379 54.6048 38.2439 175.4000 111 S 4.7260 8.3265 114.9898 58.3484 65.0149 174.6665 112 L 4.0238 8.0204 122.8542 55.7839 39.7096 183.6248 *115 V 4.0924 8.7855 113.0684 62.5269 34.3984 178.4194 116 L 4.6982 7.8406 121.1429 53.5692 43.5406 177.1700 117 G 3.9150 8.3849 111.3352 45.3381 0.0000 172.3040 118 T 3.8462 8.9893 129.0697 64.2629 67.3997 174.0863 119 C 4.5399 7.5389 119.0150 56.5265 43.6813 172.7073 120 K 4.8334 8.6491 125.3605 54.9719 34.3930 176.3549 121 E 4.8163 8.7607 119.5117 56.1575 30.2262 175.4253 122 T 5.1346 7.6932 108.2570 60.1494 72.6318 172.0268 123 F 5.1505 8.4749 116.1394 55.5861 42.3364 172.7195 124 N 5.2064 9.2915 115.9854 51.3659 41.3663 173.8062 125 L 4.9336 8.3841 125.2029 53.7851 44.0609 174.8576 126 Y 5.4998 9.0864 123.6254 56.6108 42.2389 173.9375 127 Y 5.7030 9.5847 118.0173 56.3173 42.2532 173.4777 128 Y 4.6424 8.9518 121.7808 56.0034 42.0399 173.5000 129 E 4.7937 8.0856 125.1493 55.7535 31.3189 175.3903 130 T 4.4797 8.4342 116.0520 60.8053 70.8842 174.3179 131 D 4.6603 8.7236 125.6464 56.9926 41.2639 175.8678 132 Y 3.0785 6.5869 114.1363 54.9433 40.0615 173.3877 133 D 4.1094 7.3237 120.8952 55.0577 41.2977 175.9956 134 T 4.2602 8.9426 116.7833 61.1409 69.3163 174.7851 135 G 4.0278 8.4056 111.6378 45.5823 0.0000 175.9763 136 R 4.2833 8.1426 118.6861 54.8310 27.5787 175.7469 137 N 4.7214 7.7322 119.4399 52.0859 41.9638 174.3520 138 I 3.9647 7.7518 127.9654 60.3388 37.2690 176.4017 139 R 4.1317 7.8231 125.2446 54.2627 27.9474 174.8556 140 E 3.3764 7.7519 123.1205 57.4904 29.8547 179.5417 141 N 4.3239 7.7234 116.4158 55.7916 38.7461 175.9277 142 L 4.0527 7.4684 116.8056 56.1142 42.0313 176.7121 143 Y 4.3533 7.4052 116.8317 57.3758 38.7633 174.7122 144 V 4.5533 8.6199 124.5735 60.9578 33.8137 174.7357 145 K 3.8368 8.7465 129.4790 56.8238 32.1643 176.3886 146 I 3.9553 8.8131 129.6152 63.2751 37.6258 175.4378 147 D 4.3366 7.2243 118.3231 53.7308 44.5275 174.2091 148 T 4.4473 8.4421 118.9633 63.1732 69.6566 174.2584 149 I 4.3020 8.5776 126.8358 59.3726 39.1974 174.6433 150 A 5.1606 8.5003 127.6078 49.7846 22.0639 175.5396 151 A 4.4470 8.7307 122.1540 51.3600 19.5106 177.6073 152 D 4.5115 9.0840 120.1422 54.1085 41.4568 176.8925 153 E 4.2375 8.5075 122.7291 57.0101 31.2450 175.4878 154 S 4.2125 7.7147 123.1167 58.3944 68.1884 176.9610 *165 M 4.1588 8.7306 118.1672 54.9032 32.4674 174.1536 166 K 4.5597 8.2672 124.4703 54.6644 35.1003 175.4339 167 L 4.0868 8.2270 122.8143 55.2365 42.8783 175.5579 168 N 4.8027 8.8324 123.9060 51.8017 41.0300 173.9821 169 T 5.1822 8.3185 118.7060 61.8859 71.5464 173.1581 170 E 4.8352 9.5602 125.9592 54.4708 33.2974 174.9461 171 V 5.0602 8.6558 123.7560 61.1997 34.0368 174.7346 172 R 4.7287 9.1769 126.2828 54.3261 33.7177 173.8712 173 E 4.7048 8.7332 124.1895 54.4511 31.1832 174.7054 174 I 4.1782 8.6531 119.8459 59.6299 41.6418 175.6170 175 G 3.5980 8.2198 109.4497 43.4800 0.0000 171.2478 176 P 4.8461 0.0000 0.0000 62.1508 31.8018 175.9223 177 L 4.3498 7.9159 120.2376 54.2630 42.7218 177.4126 178 S 4.2048 8.6819 118.1436 61.0505 63.1569 175.1262 179 K 4.4663 8.2898 121.4172 55.6170 33.2560 177.6700 180 K 4.2370 9.0085 120.9018 57.2719 32.0868 174.6581 181 G 4.1947 7.8974 102.6518 47.0224 0.0000 171.7859 182 F 5.1771 7.5137 112.4387 56.3769 41.5607 172.6666 183 Y 4.9013 8.9318 117.8005 56.5063 40.5381 174.8203 184 L 5.3299 8.3900 122.1107 53.3068 44.4909 175.4840 185 A 4.8186 8.7519 123.0176 50.0927 23.3186 174.9169 186 F 5.1699 8.8438 118.6357 55.6623 42.3961 173.8908 187 Q 4.5639 9.0120 125.6983 54.1436 31.0513 173.4253 188 D 5.1972 9.5359 126.6944 52.3685 43.5257 176.8214 189 V 5.3612 7.8574 117.1928 60.6347 32.6865 175.0834 190 G 3.8610 8.2625 108.6143 46.4084 0.0000 174.0341 191 A 4.9309 9.0304 121.5839 49.4127 21.9282 175.8040 192 C 4.9105 8.3609 119.7442 55.2285 45.0580 171.7289 193 I 5.1093 9.0045 126.6169 59.0123 40.4424 174.5182 194 A 4.9413 8.6582 127.9462 50.0837 21.3099 175.1701 195 L 4.6229 9.5966 126.4140 55.3599 42.4059 177.1380 196 V 4.1601 9.1285 127.4310 64.2183 33.0397 175.9978 197 S 4.7486 7.8369 113.5848 57.0153 66.1140 173.1828 198 V 5.0804 8.9016 126.2005 61.2240 34.5694 174.1612 199 K 5.3139 9.4628 127.0702 54.6352 36.0136 175.2652 200 V 5.1810 8.9869 124.4600 61.3838 34.3059 173.8779 201 Y 5.5631 8.6682 124.6879 56.5227 41.9695 172.6961 202 Y 5.4445 8.7987 117.3566 55.7026 42.2447 173.7355 203 K 5.1029 8.9800 118.5102 54.6376 34.7966 176.7689 204 K 4.4120 8.7390 122.3495 56.7063 31.7770 176.7147 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 31 A 8.12 4.33 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.72 4.68 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.46 0.00 33 V 8.80 4.28 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.68 0.00 0.00 34 L 8.55 4.72 0.00 1.60 1.67 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.29 4.41 0.00 1.71 1.74 1.12 1.17 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 36 L 7.83 4.90 0.00 1.72 1.53 1.18 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.67 5.25 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.27 4.24 0.00 3.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.31 4.16 0.00 2.08 1.95 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.66 1.39 7.81 40 A 7.87 3.52 1.13 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 0.00 0.00 *46 E 9.30 4.54 0.00 2.24 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 2.32 2.43 0.00 47 W 8.37 4.57 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.36 4.14 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.39 0.94 0.00 0.00 49 S 8.80 5.39 0.00 3.94 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.25 4.60 0.00 3.84 3.70 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 51 P 0.00 4.88 0.00 2.30 2.20 0.00 4.04 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 52 P 0.00 4.32 0.00 2.11 2.22 0.00 3.71 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 2.06 2.16 0.00 53 N 8.23 4.83 0.00 2.74 2.85 0.00 0.00 6.83 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.45 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 55 W 9.56 4.47 0.00 3.27 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.39 4.88 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 57 E 8.98 4.34 0.00 2.03 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 1.47 2.01 0.00 58 I 8.63 4.65 1.79 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 1.25 0.44 0.86 0.00 0.00 59 S 8.29 4.92 0.00 3.80 3.85 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 60 G 7.63 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 0.00 0.00 61 L 8.74 5.29 0.00 1.65 1.61 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.51 4.71 0.00 2.84 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 63 E 8.54 3.77 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 64 N 8.07 4.30 0.00 2.74 2.75 0.00 0.00 7.06 6.78 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 65 Y 7.48 3.79 0.00 3.19 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 66 T 7.84 4.31 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 67 P 0.00 4.87 0.00 1.92 1.98 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 68 I 9.08 4.71 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.89 0.00 0.00 69 R 8.37 4.80 0.00 1.58 1.35 0.00 2.88 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 70 T 8.76 4.77 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 1.16 0.00 0.00 71 Y 9.08 5.22 0.00 2.95 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 72 Q 9.39 5.29 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 73 V 8.35 4.33 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.56 0.00 0.00 74 C 7.85 5.09 0.00 2.80 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 75 Q 7.47 4.27 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 76 V 7.29 3.65 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 0.83 0.00 0.00 0.91 0.00 0.00 77 M 7.89 4.04 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 78 E 7.38 4.58 0.00 1.95 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 2.26 2.46 0.00 79 P 0.00 4.39 0.00 2.18 2.05 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 80 N 8.47 4.11 0.00 2.88 2.88 0.00 0.00 7.04 7.08 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 81 Q 7.46 4.38 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 82 N 8.32 5.28 0.00 2.71 2.79 0.00 0.00 7.02 7.79 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 83 N 9.15 5.25 0.00 2.64 2.86 0.00 0.00 6.90 8.10 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 84 W 9.61 5.13 0.00 3.28 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 85 L 8.65 5.06 0.00 0.76 0.54 0.96 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.73 5.00 0.00 1.76 1.60 0.00 2.56 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 87 T 8.05 2.48 3.39 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 0.30 0.00 0.00 88 N 8.00 4.73 0.00 2.99 3.06 0.00 0.00 5.94 8.88 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 89 W 8.94 3.70 0.00 3.08 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 90 I 7.08 3.90 0.56 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.46 0.54 0.00 0.00 91 S 7.78 3.70 0.00 3.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.79 4.11 0.00 1.92 2.04 0.00 1.39 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.29 7.81 93 G 7.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.75 4.67 0.00 2.75 2.69 0.00 0.00 6.48 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.00 3.20 0.62 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 0.00 0.00 96 Q 8.15 4.11 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.06 0.00 0.00 0.00 0.00 0.00 2.27 1.91 0.00 97 R 8.33 4.43 0.00 1.51 1.61 0.00 3.01 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 98 I 8.58 4.42 1.51 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.93 0.00 0.00 99 F 8.80 4.92 0.00 1.81 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.86 4.91 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 1.18 0.00 0.00 0.96 0.00 0.00 101 E 9.88 5.30 0.00 2.40 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 2.37 2.41 0.00 102 L 9.34 5.45 0.00 1.96 1.89 1.24 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.06 5.33 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 104 F 8.71 5.45 0.00 3.35 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 0.00 105 T 8.83 4.83 4.27 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 1.25 0.00 0.00 106 L 8.16 4.96 0.00 2.04 1.78 1.10 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.56 4.19 0.00 1.78 1.86 0.00 3.39 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 108 D 8.72 4.64 0.00 2.75 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 0.00 109 C 9.17 4.28 0.00 3.02 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.19 4.46 0.00 2.72 2.87 0.00 0.00 6.79 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.33 4.73 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.02 4.02 0.00 1.73 1.27 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *115 V 8.79 4.09 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 0.93 0.00 0.00 116 L 7.84 4.70 0.00 1.37 1.55 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.38 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 0.00 118 T 8.99 3.85 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 119 C 7.54 4.54 0.00 3.31 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 0.00 120 K 8.65 4.83 0.00 1.84 1.69 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.53 7.81 121 E 8.76 4.82 0.00 1.95 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 2.23 2.28 0.00 122 T 7.69 5.13 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 1.22 0.00 0.00 123 F 8.47 5.15 0.00 3.48 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 0.00 124 N 9.29 5.21 0.00 2.74 2.49 0.00 0.00 6.97 6.78 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 0.00 125 L 8.38 4.93 0.00 1.72 1.39 0.84 0.67 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 0.00 126 Y 9.09 5.50 0.00 2.98 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 0.00 127 Y 9.58 5.70 0.00 3.33 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 0.00 128 Y 8.95 4.64 0.00 1.79 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 0.00 0.00 0.00 129 E 8.09 4.79 0.00 2.00 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 1.91 2.05 0.00 130 T 8.43 4.48 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 1.35 0.00 0.00 131 D 8.72 4.66 0.00 2.84 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 6.59 3.08 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.32 4.11 0.00 2.44 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 0.00 134 T 8.94 4.26 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 135 G 8.41 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 0.00 136 R 8.14 4.28 0.00 1.85 1.77 0.00 3.31 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 1.55 1.18 0.00 137 N 7.73 4.72 0.00 2.58 2.57 0.00 0.00 7.14 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 7.75 3.96 1.60 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.63 0.28 0.00 0.00 139 R 7.82 4.13 0.00 1.73 1.85 0.00 3.25 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 140 E 7.75 3.38 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 1.82 1.88 0.00 141 N 7.72 4.32 0.00 2.59 2.85 0.00 0.00 6.97 7.85 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 0.00 142 L 7.47 4.05 0.00 1.06 0.70 0.50 0.76 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 0.00 143 Y 7.41 4.35 0.00 3.02 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 0.00 144 V 8.62 4.55 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.91 0.00 0.00 145 K 8.75 3.84 0.00 1.52 1.59 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.21 0.76 7.81 146 I 8.81 3.96 1.88 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.72 0.76 0.00 0.00 147 D 7.22 4.34 0.00 2.64 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.44 4.45 4.16 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 1.13 0.00 0.00 149 I 8.58 4.30 0.56 0.00 0.00 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 0.68 0.55 0.37 0.00 0.00 150 A 8.50 5.16 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 0.00 151 A 8.73 4.45 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 0.00 152 D 9.08 4.51 0.00 2.59 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 0.00 153 E 8.51 4.24 0.00 1.93 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 2.30 2.26 0.00 154 S 7.71 4.21 0.00 3.97 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *165 M 8.73 4.16 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 166 K 8.27 4.56 0.00 1.82 1.74 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.43 7.81 167 L 8.23 4.09 0.00 1.62 1.55 0.90 0.93 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 4.85 0.00 2.10 1.96 0.00 3.27 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 177 L 7.92 4.35 0.00 1.50 1.63 0.49 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.68 4.20 0.00 3.82 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 K 8.29 4.47 0.00 1.79 1.69 0.00 1.53 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.55 7.81 180 K 9.01 4.24 0.00 1.70 1.81 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.26 7.81 181 G 7.90 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 7.51 5.18 0.00 3.28 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 0.00 183 Y 8.93 4.90 0.00 3.24 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 0.00 184 L 8.39 5.33 0.00 1.41 1.19 1.04 0.90 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 0.00 185 A 8.75 4.82 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 0.00 186 F 8.84 5.17 0.00 2.13 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 0.00 187 Q 9.01 4.56 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.03 1.37 0.00 188 D 9.54 5.20 0.00 2.64 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 0.00 0.00 0.00 0.00 189 V 7.86 5.36 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 1.24 0.00 0.00 0.98 0.00 0.00 190 G 8.26 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 0.00 191 A 9.03 4.93 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 0.00 192 C 8.36 4.91 0.00 2.98 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 0.00 193 I 9.00 5.11 1.46 0.00 0.00 0.59 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 0.44 0.76 0.00 0.00 194 A 8.66 4.94 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 0.00 195 L 9.60 4.62 0.00 1.79 1.91 0.95 -0.23 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 0.00 196 V 9.13 4.16 2.26 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 0.80 0.00 0.00 0.97 0.00 0.00 197 S 7.84 4.75 0.00 3.96 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.90 5.08 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 1.29 0.00 0.00 1.10 0.00 0.00 199 K 9.46 5.31 0.00 1.90 1.85 0.00 1.80 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.44 7.81 200 V 8.99 5.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 201 Y 8.67 5.56 0.00 3.25 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 0.00 202 Y 8.80 5.44 0.00 3.23 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 0.00 203 K 8.98 5.10 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.49 7.81 204 K 8.74 4.41 0.00 1.66 1.79 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.