NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3250 8.1849 120.6332 54.5036 42.8158 175.7195 3 L 4.6792 8.3860 123.8811 52.4928 43.9692 175.8713 4 Y 4.1519 9.7768 122.1797 58.2270 39.3038 176.7986 *6 R 4.1407 7.5520 114.9294 56.1542 29.4609 175.2471 7 F 4.1752 8.8637 125.0042 61.5321 40.0243 176.2540 8 T 4.4088 8.0317 117.9871 61.4790 69.1430 174.2172 9 E 3.9018 9.0230 127.6501 57.8539 30.7411 176.2054 10 N 4.1908 8.9352 120.1677 53.7752 36.6107 175.1537 11 F 4.0833 8.2910 122.4204 61.5412 39.9422 175.2181 12 E 3.9105 8.4363 118.1825 59.5250 29.3887 178.7348 13 R 3.7565 7.8687 117.7475 59.1822 30.1737 177.9464 14 A 3.6798 7.9269 120.8224 55.0283 18.2338 179.5846 15 K 2.7570 7.4308 118.2686 59.0005 31.8955 179.2046 16 K 3.8373 7.3995 117.9490 59.4544 32.0193 178.8981 17 E 4.0088 7.9075 117.6511 59.2070 29.6423 178.9114 18 A 4.1511 7.9468 121.1314 54.8265 18.4030 180.3665 19 L 4.2530 7.9042 116.7023 55.2481 41.6607 179.5470 *21 S 4.3697 8.1008 117.2010 58.5878 65.1010 176.2250 22 L 3.9573 8.1128 121.5865 58.0266 41.8059 178.6741 23 E 3.9626 8.1407 118.6290 59.5384 29.4077 179.5179 24 I 3.6448 7.6897 118.8344 64.2985 37.2375 178.0262 25 A 3.9731 7.8972 121.5548 55.2807 18.3239 179.6565 26 L 3.8999 8.2993 117.7708 57.9617 41.4754 179.7442 27 R 3.9203 7.6995 117.3244 59.1076 30.1476 177.8642 28 K 4.3571 7.9621 115.1574 55.6927 32.3064 177.2446 29 G 3.8984 7.5654 106.7941 46.7149 0.0000 174.3188 30 E 4.2816 8.3415 116.9856 55.9510 29.5794 176.2964 31 V 4.1226 7.3348 119.5717 60.6186 32.9068 174.5817 32 D 4.2590 8.6738 126.9154 54.7320 41.0973 177.1846 33 E 4.0609 8.8535 124.8501 59.2427 29.7104 179.1628 34 D 4.4741 8.1252 117.3587 56.1638 41.6204 176.9405 35 I 4.2961 7.8328 111.5897 60.6663 38.2162 177.2854 36 I 3.6547 7.2289 121.7534 64.4229 37.0162 175.9566 37 P 4.2382 0.0000 0.0000 65.5795 31.1605 178.3769 38 L 3.9043 7.8360 118.3985 58.0939 42.0823 178.7375 39 L 3.9511 8.0197 118.9284 57.9096 41.3713 179.7533 40 K 4.0177 7.9458 117.0766 59.1888 32.1701 179.1194 41 K 4.1064 8.1004 120.0215 59.5195 32.2864 178.9670 42 I 3.6804 7.8734 120.1673 64.5795 36.8446 178.1646 43 N 4.6413 8.1011 115.8195 55.6141 38.4479 177.1908 44 S 4.3933 7.6823 114.6090 59.4878 63.7795 174.4849 45 I 4.0647 7.3222 124.9255 60.5456 37.5268 176.2023 46 E 4.0078 9.1050 126.7085 59.5621 29.6778 177.2367 47 N 4.2788 7.9826 113.2213 53.7257 38.7531 173.3075 48 Y 6.1045 7.9863 114.9812 55.7238 42.5500 174.1831 49 F 5.2781 8.3338 113.1440 56.4629 40.8491 173.0122 50 T 5.0946 8.9052 111.0821 60.3686 70.7093 174.3121 51 T 4.6901 8.3403 114.4964 60.8862 72.0341 173.6070 52 S 4.1759 8.2063 118.9640 59.0188 63.1218 174.2251 53 S 5.0610 8.1942 119.1116 56.9523 66.9495 172.8483 54 C 4.9867 9.0456 114.5947 58.2221 33.0509 173.7819 55 S 4.7931 8.8356 115.8003 56.8414 64.8031 173.6329 56 G 3.7562 8.4231 106.8005 46.9278 0.0000 172.9836 57 R 5.1219 9.0006 120.4277 54.7568 34.2732 173.6066 58 I 5.1750 9.0534 125.9559 59.7273 40.2479 174.8180 59 S 5.0943 9.0881 120.0230 57.2197 66.8708 172.9621 60 V 5.2451 8.9182 120.7589 60.2910 34.6198 174.3461 *62 E 5.3310 8.7337 123.0053 56.0255 30.8525 174.3804 *64 P 4.0337 0.0000 0.0000 62.5041 33.0258 175.9194 *72 A 4.1686 7.5951 118.3640 51.4438 20.0182 175.5001 73 K 4.5774 8.4018 119.5368 54.6138 34.5188 175.6265 74 W 4.2679 9.2227 127.8031 56.1351 29.3194 176.4082 75 L 4.4412 8.8941 125.1545 55.9245 42.4057 177.0773 76 G 3.7643 7.4209 103.0768 44.9617 0.0000 172.7014 77 K 4.7002 6.8778 121.8616 54.2527 36.1229 175.7609 78 W 5.2370 9.3553 124.3413 54.7228 33.8889 175.4934 79 H 5.3882 8.4235 119.3027 54.5420 28.6362 173.8022 80 R 4.6040 7.6736 114.7093 56.2673 31.9075 173.7154 81 E 4.1391 8.7051 118.1657 56.7282 29.6253 177.7291 82 V 4.0896 8.2530 117.7727 60.2467 32.9596 175.9589 83 S 4.6475 9.4996 116.8699 56.6609 66.1044 175.0936 84 L 3.6996 7.8044 124.3945 58.5794 41.8582 179.0302 85 Y 4.2290 7.0301 116.3459 60.8009 37.7178 177.9530 86 E 4.1451 7.9727 118.9874 59.1709 29.7302 179.4674 87 V 3.7110 7.2602 118.2588 65.7930 31.7136 177.8952 88 L 4.0209 8.1536 119.0227 57.9752 41.2608 179.2074 89 E 4.0349 8.1494 117.8247 59.1241 29.8652 178.4657 90 A 4.2703 8.0233 120.9611 55.3075 18.5313 179.6458 91 I 3.7708 8.1540 118.4408 64.4334 36.9724 178.4697 92 K 4.1911 7.9273 117.4223 58.1712 31.9472 178.4302 93 K 4.3015 7.8267 117.7126 56.1700 32.6339 176.5316 94 H 4.5084 7.7367 120.2856 56.6293 30.3266 174.3741 95 R 4.3524 8.9195 124.1697 57.1321 32.5156 175.7055 96 S 4.5090 7.5366 108.6652 57.4718 66.4663 174.8943 97 G 3.8175 8.3998 109.2992 44.8015 0.0000 171.7306 98 Q 4.5766 8.4343 117.2270 55.0995 30.5803 174.7708 99 L 4.7646 8.4785 126.6443 53.3276 43.6852 175.1104 100 W 5.3511 8.7697 125.3597 54.8186 33.2997 173.9729 101 F 5.1010 9.4286 125.4989 56.6011 41.1243 174.1829 102 L 5.1743 8.7860 126.0901 52.8521 44.9775 175.6392 103 V 4.8874 8.3191 120.8811 61.2686 34.8104 174.2386 104 R 4.8236 9.2617 126.5688 54.2610 33.5123 175.4080 105 S 3.3073 8.5652 117.5550 56.6551 63.4106 171.8273 106 P 4.5097 0.0000 0.0000 62.9558 32.1458 175.3775 107 I 4.8440 8.7523 121.0950 59.4086 41.5339 173.7795 108 L 4.9992 8.7496 128.3481 53.1809 45.4764 174.9511 109 H 5.3682 8.6138 119.9326 54.0666 31.3938 173.4351 110 V 4.5621 8.9935 123.6406 60.9204 34.5428 174.8716 111 G 3.6887 8.0112 115.0513 45.3902 0.0000 172.3644 112 A 5.2920 9.2822 122.6683 50.0360 22.7281 177.4537 113 K 3.7153 8.5051 121.1997 58.9605 33.1134 177.4100 114 T 5.1351 7.6583 107.8972 58.6461 72.0484 174.4929 115 L 3.5804 8.8408 123.9499 58.0884 41.8347 178.6952 116 E 3.8296 8.0262 118.7679 59.3771 29.6769 178.3586 117 D 4.2809 7.8687 118.5016 57.2338 40.8410 178.6758 118 A 3.7626 7.4618 121.1098 55.1075 18.1843 179.8729 119 V 3.4688 7.8196 117.0705 66.0603 31.5941 178.3186 120 K 3.9120 8.1961 118.3665 59.3068 31.7547 179.1380 121 L 3.8178 7.8467 120.3894 57.9096 41.9281 179.0669 122 V 3.5257 7.7674 118.1725 66.1704 31.4831 177.6583 123 N 4.2894 8.3144 116.3396 56.2409 38.2365 177.1943 124 L 3.9050 8.0027 121.3735 58.0297 42.2161 178.7581 125 A 4.0191 8.1988 121.0407 55.3247 18.4533 179.7554 126 V 3.8140 8.1416 117.2109 66.1650 31.3878 178.2495 127 S 4.3142 7.9881 112.5990 60.5487 62.9508 174.5514 128 C 4.4695 7.4067 118.9606 59.4986 28.1231 174.3234 129 G 3.9235 8.0075 107.7224 45.3819 0.0000 175.1911 130 F 4.5207 8.1859 120.8237 55.6219 37.3903 176.5726 131 K 3.9733 7.9869 122.4472 59.0781 32.4552 177.5818 132 Y 4.7573 7.6642 114.7418 57.9795 37.7470 175.7524 133 S 4.7114 7.9281 117.3149 59.1623 64.3249 173.2161 134 N 4.6718 9.0054 119.5733 52.8215 41.1379 172.4982 135 I 4.8409 8.3642 119.5792 59.7473 38.8873 175.4904 136 K 4.5276 9.2948 129.1086 54.8378 34.4254 174.9623 137 S 4.9560 8.5442 120.9144 56.8044 63.8024 172.5606 138 I 4.1612 8.2612 119.1776 62.1764 39.2053 175.7601 *143 L 4.1717 7.5772 119.0738 53.9728 42.6663 175.6440 144 I 4.8803 8.1336 113.5283 59.8604 41.8171 173.4826 145 V 4.6746 8.7673 123.0679 61.5811 33.3930 174.0348 146 E 5.1556 9.2297 128.4420 54.4382 32.6491 174.2722 147 I 4.6632 8.6055 127.6423 58.7693 39.8216 174.6312 148 R 5.1746 8.5310 125.8201 55.4832 33.7626 174.3413 149 S 5.3134 8.6767 120.5143 57.4917 64.5530 173.2306 150 T 4.7919 8.5844 107.6672 61.8067 69.9434 174.1836 151 E 4.3475 8.2254 122.9635 56.4082 29.0069 175.9079 152 R 4.6687 7.5074 118.7979 54.9053 32.3726 174.9576 *154 D 4.6204 8.2492 116.6424 54.5384 40.7963 173.8838 155 V 4.5225 9.1868 124.6435 60.8735 33.5680 174.2310 156 L 3.6817 8.5284 130.6741 54.8048 42.0339 176.0162 157 L 4.4451 8.7200 126.2616 54.7102 44.3954 176.2950 158 G 2.4597 6.9207 103.6459 46.2375 0.0000 171.1448 159 E 5.0297 7.6978 118.6720 55.4666 33.4359 175.0787 160 N 4.1773 10.1927 122.8793 54.4222 36.7286 175.5426 161 G 3.7509 7.8772 104.8041 45.0592 0.0000 172.7252 162 E 4.3945 7.8981 121.6190 54.4195 30.5863 174.6417 163 I 4.0758 8.0785 127.3618 60.5272 38.1569 175.8690 164 F 4.7658 8.7018 123.8184 58.3554 39.5125 176.3478 165 V 4.1592 7.5604 112.7064 59.5462 33.9472 175.4890 166 G 4.0948 7.9656 108.0799 42.9743 0.0000 174.2771 167 E 3.9602 8.5349 119.5740 59.1925 29.3804 178.2361 168 E 3.8902 8.1499 118.9343 59.2782 29.7728 177.9956 169 Y 3.9133 7.9534 119.0555 60.7049 38.9370 177.5222 170 L 3.8209 8.1406 121.2650 58.1397 42.1195 178.3811 171 N 4.1271 8.2522 117.0616 56.5193 38.8338 177.0379 172 K 3.8420 7.6253 119.6923 59.3984 32.0229 179.3855 173 I 3.4232 7.2143 120.0454 64.2556 36.8471 178.6790 174 V 3.4634 7.7708 119.4345 65.8296 31.3682 177.6884 175 E 3.8457 8.1268 119.0881 59.3078 29.5684 178.9270 176 I 3.9087 7.9977 121.0080 63.6373 36.9103 178.2331 177 A 4.1006 8.0574 120.9469 55.4700 18.3944 179.2549 178 N 4.4514 8.2484 113.8071 56.4251 38.5299 177.1190 179 D 4.5054 7.9374 120.4286 57.1065 40.7303 178.9264 180 Q 3.6745 7.5694 116.5368 56.2097 28.6288 178.4756 *182 R 4.2800 7.9986 121.2577 56.4351 32.4205 178.3056 183 R 3.8725 7.6363 116.6472 59.0531 29.6533 179.0840 184 F 4.4688 7.8578 117.0888 60.6444 39.2717 177.1893 185 K 4.1402 8.2609 118.7190 59.5001 31.9943 178.1854 186 E 3.9375 8.2304 119.5473 59.3258 29.5526 179.0316 187 K 4.0288 8.1530 118.5368 59.4113 32.0441 179.3669 188 L 4.2630 7.8761 118.8911 57.8870 41.6487 179.5954 189 K 4.0667 8.2170 118.5582 59.2871 31.7407 179.4802 190 R 3.9236 7.8583 118.3435 59.1838 30.3209 178.0713 191 L 4.1281 8.3078 120.3435 58.2212 42.2220 178.4912 192 E 3.9543 8.3586 119.5522 59.1961 29.3558 178.4280 193 S 4.3557 7.9749 112.0141 59.6786 63.7275 175.1980 194 K 4.4793 7.8238 121.0514 56.4142 33.3450 177.5741 195 I 3.7263 7.3443 118.6489 63.4768 37.8040 176.9724 196 N 4.3861 8.2140 117.1650 56.2916 38.5397 176.1690 197 A 4.1143 7.8536 121.3337 54.6915 18.4568 179.0343 198 L 4.1657 7.7718 116.6273 56.2953 42.0308 177.5028 199 N 4.5950 7.3516 115.9739 53.3160 39.1953 175.2810 200 R 4.2327 8.3726 118.2170 56.4700 30.5162 176.2997 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 L 8.18 4.32 0.00 1.72 1.76 0.94 0.56 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 3 L 8.39 4.68 0.00 1.73 1.63 0.95 0.64 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 4 Y 9.78 4.15 0.00 2.87 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 *6 R 7.55 4.14 0.00 1.77 2.01 0.00 3.44 0.00 0.00 3.18 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 7 F 8.86 4.18 0.00 2.97 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.03 4.41 4.79 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 1.48 0.00 0.00 9 E 9.02 3.90 0.00 1.92 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 2.32 2.37 0.00 10 N 8.94 4.19 0.00 2.90 2.79 0.00 0.00 6.67 8.13 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 11 F 8.29 4.08 0.00 3.40 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.44 3.91 0.00 2.16 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 2.36 2.40 0.00 13 R 7.87 3.76 0.00 1.92 1.84 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 14 A 7.93 3.68 1.07 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 0.00 0.00 15 K 7.43 2.76 0.00 0.85 1.35 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.29 1.30 7.81 16 K 7.40 3.84 0.00 1.84 1.77 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.59 7.81 17 E 7.91 4.01 0.00 1.91 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 2.26 2.50 0.00 18 A 7.95 4.15 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 19 L 7.90 4.25 0.00 1.77 1.66 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 *21 S 8.10 4.37 0.00 4.02 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 22 L 8.11 3.96 0.00 1.84 1.80 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.14 3.96 0.00 2.02 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 2.44 2.49 0.00 24 I 7.69 3.64 2.00 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 1.55 0.58 0.89 0.00 0.00 25 A 7.90 3.97 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 26 L 8.30 3.90 0.00 1.80 1.72 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.70 3.92 0.00 1.83 2.21 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 28 K 7.96 4.36 0.00 1.84 1.82 0.00 2.06 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 G 7.57 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 30 E 8.34 4.28 0.00 2.04 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 2.29 2.22 0.00 31 V 7.33 4.12 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 0.80 0.00 0.00 0.93 0.00 0.00 32 D 8.67 4.26 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.06 0.00 2.05 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 2.36 0.00 34 D 8.13 4.47 0.00 2.66 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 35 I 7.83 4.30 1.84 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 1.70 0.58 0.90 0.00 0.00 36 I 7.23 3.65 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.91 0.00 0.00 37 P 0.00 4.24 0.00 2.16 2.11 0.00 3.55 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 38 L 7.84 3.90 0.00 1.72 1.79 0.83 0.50 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 39 L 8.02 3.95 0.00 1.86 1.70 0.90 0.57 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 40 K 7.95 4.02 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.63 7.81 41 K 8.10 4.11 0.00 1.96 1.92 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 42 I 7.87 3.68 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 0.83 0.00 0.00 43 N 8.10 4.64 0.00 2.83 2.94 0.00 0.00 7.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.68 4.39 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.32 4.06 2.29 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 1.60 1.26 1.18 0.00 0.00 46 E 9.11 4.01 0.00 1.95 2.00 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0.00 0.00 130 F 8.19 4.52 0.00 3.33 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 0.00 131 K 7.99 3.97 0.00 1.52 1.67 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.31 7.81 132 Y 7.66 4.76 0.00 3.23 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 0.00 133 S 7.93 4.71 0.00 3.80 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 0.00 134 N 9.01 4.67 0.00 2.82 2.97 0.00 0.00 6.85 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.36 4.84 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 1.11 0.00 0.00 136 K 9.29 4.53 0.00 1.74 1.59 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.34 7.81 137 S 8.54 4.96 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 0.00 138 I 8.26 4.16 1.85 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 1.35 0.81 0.87 0.00 0.00 *143 L 7.58 4.17 0.00 0.53 1.24 0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.13 4.88 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.66 0.90 0.00 0.00 145 V 8.77 4.67 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 0.83 0.00 0.00 0.88 0.00 0.00 146 E 9.23 5.16 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 147 I 8.61 4.66 1.66 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 0.95 1.36 0.34 0.00 0.00 148 R 8.53 5.17 0.00 1.90 1.83 0.00 3.12 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 149 S 8.68 5.31 0.00 3.86 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 0.00 150 T 8.58 4.79 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 1.13 0.00 0.00 151 E 8.23 4.35 0.00 2.00 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 2.14 2.30 0.00 152 R 7.51 4.67 0.00 1.86 1.96 0.00 3.07 0.00 0.00 3.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 *154 D 8.25 4.62 0.00 2.81 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 0.00 155 V 9.19 4.52 2.38 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 1.16 0.00 0.00 1.16 0.00 0.00 156 L 8.53 3.68 0.00 0.72 1.28 0.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.72 4.45 0.00 1.45 1.57 1.04 0.76 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 0.00 158 G 6.92 2.46 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 0.00 159 E 7.70 5.03 0.00 2.03 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 2.25 2.44 0.00 160 N 10.19 4.18 0.00 2.82 2.81 0.00 0.00 7.10 7.56 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 0.00 161 G 7.88 3.75 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 0.00 0.00 0.00 162 E 7.90 4.39 0.00 2.06 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 2.39 2.42 0.00 163 I 8.08 4.08 1.82 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 1.37 0.92 0.89 0.00 0.00 164 F 8.70 4.77 0.00 2.87 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 0.00 165 V 7.56 4.16 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 0.21 0.00 0.00 0.95 0.00 0.00 166 G 7.97 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 0.00 167 E 8.53 3.96 0.00 2.07 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 2.37 2.37 0.00 168 E 8.15 3.89 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 2.38 2.36 0.00 169 Y 7.95 3.91 0.00 3.08 3.08 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 0.00 170 L 8.14 3.82 0.00 1.95 1.58 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 171 N 8.25 4.13 0.00 2.83 2.85 0.00 0.00 7.20 6.08 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 0.00 172 K 7.63 3.84 0.00 1.59 1.62 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.55 7.81 173 I 7.21 3.42 1.53 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 0.87 0.66 0.12 0.00 0.00 174 V 7.77 3.46 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 0.96 0.00 0.00 0.74 0.00 0.00 175 E 8.13 3.85 0.00 2.00 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 2.24 2.29 0.00 176 I 8.00 3.91 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.23 0.89 0.00 0.00 177 A 8.06 4.10 1.65 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 0.00 0.00 178 N 8.25 4.45 0.00 2.80 3.05 0.00 0.00 7.13 8.92 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 0.00 179 D 7.94 4.51 0.00 2.87 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 0.00 180 Q 7.57 3.67 0.00 2.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.39 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 *182 R 8.00 4.28 0.00 2.00 1.99 0.00 3.12 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 183 R 7.64 3.87 0.00 1.71 1.80 0.00 3.01 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 184 F 7.86 4.47 0.00 3.06 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 0.00 185 K 8.26 4.14 0.00 1.90 1.97 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 2.00 7.81 186 E 8.23 3.94 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 187 K 8.15 4.03 0.00 1.85 1.31 0.00 1.47 0.00 0.00 1.12 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.50 7.81 188 L 7.88 4.26 0.00 1.97 1.81 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 189 K 8.22 4.07 0.00 2.00 1.88 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.83 7.81 190 R 7.86 3.92 0.00 1.87 2.17 0.00 3.28 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 191 L 8.31 4.13 0.00 1.99 1.87 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.36 3.95 0.00 2.15 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 0.00 2.30 2.47 0.00 193 S 7.97 4.36 0.00 4.11 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 0.00 194 K 7.82 4.48 0.00 1.78 1.85 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.73 7.81 195 I 7.34 3.73 1.98 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.10 0.88 0.00 0.00 196 N 8.21 4.39 0.00 2.88 2.81 0.00 0.00 7.11 8.39 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 0.00 197 A 7.85 4.11 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 0.00 198 L 7.77 4.17 0.00 1.83 1.94 0.66 1.11 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 0.00 199 N 7.35 4.59 0.00 2.98 2.77 0.00 0.00 6.85 7.77 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 0.00 200 R 8.37 4.23 0.00 1.77 1.80 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.