NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *6 D 4.6899 8.2076 119.5546 52.5663 42.0345 177.1848 7 P 4.3528 0.0000 0.0000 62.0787 31.0144 176.5281 *9 R 3.9034 9.0168 121.6205 57.4203 32.8561 178.2597 10 D 4.4170 8.0321 116.9880 57.3937 40.7737 178.5821 11 A 4.1509 8.0649 121.2153 55.0502 18.1730 179.7778 12 I 3.6134 7.6493 117.8847 64.5305 37.2824 178.4564 13 V 3.5291 7.6512 118.4313 66.1797 31.3360 177.4448 14 D 4.4240 8.5268 118.9112 57.9594 40.6461 179.3429 15 T 3.8004 7.9058 115.5116 66.4873 68.6010 176.3327 16 A 3.9236 8.6221 123.5180 55.4797 18.3322 179.9686 17 V 3.4021 7.9644 118.8847 66.4263 31.6339 178.4842 18 E 3.8462 8.3330 118.4958 61.2610 29.5617 180.7424 19 L 4.1870 8.0487 120.1370 57.8455 41.6215 179.7614 20 A 4.5103 8.1630 121.0115 54.5567 18.0536 179.0426 21 A 3.8315 7.6164 118.4248 56.1713 18.4884 179.3331 22 H 4.3213 7.8937 113.1314 57.6582 28.9518 176.0170 23 T 4.2048 7.7072 107.3622 60.8299 70.5224 175.2069 24 S 4.8515 7.8484 112.8850 57.5085 66.4942 176.9239 25 W 4.1900 8.7552 131.3398 61.3315 30.6194 178.2868 26 E 3.6702 8.5493 112.6797 59.1140 28.9685 180.2163 27 A 4.1105 7.4221 118.2471 52.9951 18.5196 177.2042 28 V 3.9158 7.6812 117.3179 61.4467 32.2807 175.4396 29 R 4.6631 7.8407 125.3809 53.9764 33.0246 177.1457 30 L 4.0511 8.2819 119.6127 57.7266 41.5477 179.1455 31 Y 4.0435 8.0280 119.5564 60.9018 38.6716 177.7952 32 D 4.1932 8.0561 119.5534 57.0154 40.7833 178.8367 33 I 3.5973 7.6324 119.8111 64.2327 37.1585 177.8368 34 A 3.9153 8.0055 121.3929 55.2556 18.2599 179.6267 35 A 3.7075 7.5225 118.9633 55.1679 18.2086 179.8343 36 R 3.7968 8.1941 116.5141 59.5196 30.3277 178.2350 37 L 4.1068 8.0675 115.9362 54.5800 41.9393 176.5760 38 A 3.6607 7.7236 120.5202 53.4618 16.3177 177.2812 39 V 4.5796 7.7265 111.6844 60.4696 35.9737 175.9783 40 S 4.4324 8.2360 115.0113 57.6683 64.0874 175.1079 41 L 4.0180 8.5586 123.4691 58.5930 41.4512 179.2014 42 D 4.4405 7.4461 115.8736 57.0402 40.9812 178.3086 43 E 4.1614 8.0944 119.1678 59.6599 29.5004 179.3387 44 I 3.9679 7.8752 119.2614 64.5082 37.0257 177.8799 45 R 5.0585 7.6606 116.9600 56.7999 30.1079 178.2880 46 L 3.9879 7.7324 119.5959 57.5698 41.6201 178.4369 47 Y 4.1049 7.6949 114.8365 58.6937 38.6876 175.7339 48 F 5.1265 8.1919 119.7567 55.9239 41.3226 176.0899 49 R 4.3822 9.2516 125.2076 57.2764 30.9552 176.4249 50 E 4.8278 7.7797 116.1331 54.2555 34.0095 176.0840 51 K 4.0628 8.6895 121.9065 59.6773 32.8997 178.7244 52 D 4.5865 8.5234 118.5655 57.8468 40.8552 178.4696 53 E 4.1310 7.9833 117.5017 59.7410 29.4714 179.5729 54 L 3.7560 7.9509 118.4133 57.6124 41.6050 179.4900 55 I 3.7689 8.1251 119.8466 64.6380 37.0391 177.6852 56 D 4.5632 8.4914 118.8682 57.9326 40.6396 178.8391 57 A 4.1450 8.1899 120.2230 55.1316 18.2116 179.5310 58 W 4.2013 8.3680 126.5757 60.9158 30.9001 178.4231 59 F 3.8481 8.6302 117.5178 60.2543 37.9066 177.4167 60 D 4.4590 8.5724 119.1119 56.8268 40.6313 178.6799 61 R 3.7662 8.0336 119.6012 59.0480 29.8061 178.2385 62 A 3.5905 6.9241 119.2914 55.3861 18.4140 179.0226 63 D 4.3935 7.9160 115.8933 57.3138 41.0429 178.8618 64 S 4.4072 7.5248 113.8593 60.3939 63.5443 177.1292 65 R 3.9743 7.4498 118.5335 56.4846 29.6292 178.1922 *67 L 4.3628 8.0228 124.9313 55.7961 44.0635 179.4033 68 K 4.1080 8.4371 123.5701 59.8477 31.4520 180.2414 69 E 4.1004 8.1453 120.5122 59.0688 29.4571 178.5556 70 A 2.8469 7.3681 118.2130 53.0286 18.3838 177.3233 71 E 4.5431 7.4994 113.1832 55.2394 30.8720 176.5241 72 S 4.3039 8.1321 115.5630 57.9960 64.2002 175.1377 73 A 4.0342 8.8367 125.7809 55.3863 18.5254 180.1953 74 G 3.7420 8.1691 104.5573 48.5786 0.0000 175.6028 75 F 4.0081 8.5470 122.5108 61.1329 39.4472 177.2193 76 L 4.1415 7.4918 117.7137 57.2576 41.6473 178.3454 77 D 4.3887 7.6592 118.3184 57.0087 40.8296 176.9280 78 L 4.0260 7.1940 117.4815 54.7038 42.3024 177.2746 79 V 3.9796 7.8558 118.3775 61.7488 33.7762 176.1995 80 A 3.9430 8.5221 125.0683 55.7686 18.1836 179.9519 81 S 4.0773 8.0308 111.8379 61.7865 62.9808 176.1482 82 E 3.9835 8.1891 122.5382 58.6570 29.1951 179.7726 83 R 3.7623 8.2664 118.2710 59.3128 30.1889 178.9997 84 I 3.7581 7.4735 119.5785 64.8558 36.9317 178.0400 85 H 4.1846 7.9602 117.3255 59.4761 29.6960 176.5032 86 H 4.3520 8.3690 119.6868 59.0407 30.0385 177.0310 87 L 4.3779 8.3435 120.8783 57.8046 41.5109 181.1476 88 I 3.8242 7.6499 118.7370 61.5555 37.0482 178.2914 *90 I 4.0842 7.7701 122.3732 61.2872 39.3390 177.8404 91 W 4.0278 8.3403 129.4501 60.7488 30.4320 178.1382 92 L 3.3351 8.1996 118.7764 57.3647 40.6824 179.2566 93 D 4.3877 8.0128 117.6468 57.1542 41.0457 177.9098 94 A 3.9347 8.3358 121.5279 55.4243 18.3544 179.7609 95 L 3.3333 7.3317 116.7266 57.5955 41.3405 179.6447 96 A 4.3730 8.0711 119.9895 54.6926 18.3134 179.0583 97 V 3.8894 7.2994 116.3270 65.2986 32.6987 176.2129 98 Q 4.4559 8.5083 117.1760 52.8952 29.8862 175.3453 99 R 3.8219 8.4662 124.4100 59.7480 30.4009 178.2664 100 K 3.7805 7.8378 122.9394 59.6988 31.4350 180.7532 101 V 3.7775 7.4904 117.8771 66.1001 31.6065 177.4408 102 T 3.9016 7.3505 114.0234 66.8127 68.4544 175.8872 103 R 3.9815 7.8090 118.8314 59.4492 30.1409 179.8212 104 Q 4.0662 7.6911 115.5612 56.1099 29.3573 177.1655 *106 I 3.9754 7.6975 118.5275 61.4395 38.8438 177.9380 *108 S 4.4433 8.2710 115.7291 58.3510 63.7970 174.5868 109 K 4.4044 7.5474 121.0573 54.7963 30.2216 175.5321 110 L 4.7565 7.5786 124.7910 54.1498 45.5343 176.3547 111 E 3.6371 8.9654 117.1573 58.6722 28.6136 176.5742 *114 H 4.6718 7.7146 114.7448 55.7997 29.0337 179.8645 115 I 3.8809 7.8330 129.2578 65.8818 35.6019 178.9085 *116 H 4.4369 8.2616 121.8166 60.3031 27.6467 179.8690 117 I 4.3434 7.8548 124.7104 65.0751 35.4398 180.7973 118 Q 4.2443 8.6848 122.2305 60.3843 27.8354 181.1029 119 I 3.9140 7.7854 120.1418 63.3091 38.0593 175.8518 120 P 4.3765 0.0000 0.0000 65.6935 31.3777 178.0023 121 A 4.1181 7.7922 119.7723 54.8296 18.3046 179.4091 122 V 3.3366 7.2890 115.9605 64.5293 32.2465 177.4059 *124 R 4.1303 7.8684 118.2455 56.1771 31.8220 177.4395 125 V 3.5476 8.1861 117.3376 66.2688 31.3044 178.1865 126 S 4.1218 8.1162 117.0160 62.1854 62.6593 177.3887 127 R 3.9415 7.9270 122.7579 61.8656 29.1382 180.5763 128 T 3.8376 7.9284 116.9351 66.3284 68.5222 177.0332 129 V 3.2369 7.7512 120.4587 66.0193 31.4142 178.1322 130 Q 4.0044 8.3576 118.1167 58.4284 28.4569 178.3605 131 W 3.9537 8.6052 130.0930 60.3915 30.5353 178.3297 132 V 3.6511 7.8976 117.4011 65.7489 31.1105 177.7539 133 R 4.0223 7.9259 120.6210 60.1967 29.5676 179.1369 134 E 3.8913 8.3879 118.1495 60.6793 29.4918 180.1091 135 A 3.9446 7.5302 118.5849 53.3111 18.2793 177.9246 136 A 4.7580 7.2673 118.9261 51.1966 20.4415 176.6268 137 Q 4.5672 7.0198 120.1132 57.1400 32.7242 176.8044 138 R 4.3191 8.1936 113.7650 57.4241 32.5985 175.2294 *147 L 4.1091 7.8077 119.7271 55.5043 43.0849 176.9058 148 E 4.1164 8.5457 125.5330 56.0045 31.1571 177.2808 149 E 3.9469 8.6296 124.4283 59.8969 29.6213 180.1263 150 S 4.1342 8.0874 113.2528 61.8434 62.8417 176.3224 151 T 4.0695 7.8656 118.7759 66.3914 68.3186 176.0154 152 L 3.9767 7.9858 121.9704 58.4778 42.0330 179.2918 153 T 3.8987 8.2049 115.9256 67.0977 68.2561 176.7182 154 T 4.0153 8.5377 117.2786 66.8279 68.5008 176.4575 155 I 3.9766 7.9381 121.2343 64.3730 37.4549 177.5294 156 Y 4.3833 8.5263 120.8173 60.6862 38.6898 177.9967 157 L 4.1828 8.4688 117.1104 56.6879 41.9137 178.9161 *159 T 4.3581 7.7491 117.3521 63.8229 70.4266 175.7241 160 F 4.5928 8.4378 121.5364 61.8353 39.4024 176.8762 161 F 3.7957 8.3695 115.8633 60.2813 38.7136 177.2618 162 F 4.1567 8.2093 119.1019 60.6325 39.8587 178.3571 163 W 4.8079 8.9512 132.0746 56.3645 30.5483 177.0833 *165 R 3.8744 7.8623 114.2441 54.9953 31.3194 175.6196 166 D 4.1275 7.1621 118.1618 53.7608 39.9542 175.1598 167 E 4.1824 8.3269 126.5424 55.9349 29.8997 176.5465 168 S 4.3215 8.2939 113.2882 58.2138 63.9756 173.2578 169 E 3.8918 8.5110 122.2649 57.4804 29.8976 176.2731 170 N 4.1679 9.4057 121.5940 53.7598 37.8654 173.5801 171 S 3.9374 7.8607 112.4670 59.6693 61.5328 175.5441 172 R 4.0210 8.3980 123.6429 62.3189 28.9699 179.8409 173 H 4.6232 8.3430 116.8517 59.1524 28.6515 178.0794 174 T 4.2059 8.6302 117.5110 66.8669 68.3193 176.9001 175 R 4.1771 8.5690 122.4690 59.9811 30.0331 179.8545 176 Q 4.0321 8.3516 120.4406 60.1129 28.3059 179.8814 177 F 4.2152 8.5531 123.4704 61.0698 39.3420 176.9410 178 L 3.9538 8.6157 120.1137 58.0751 41.9592 178.5597 179 K 3.7673 8.0811 119.5359 59.7424 31.8123 178.8720 180 R 3.6880 7.7873 116.8280 59.5602 30.0669 178.5077 181 H 3.9853 7.4399 114.3252 58.5888 28.9291 177.5978 182 L 4.1144 7.8635 120.7771 57.9839 41.4199 180.0055 183 T 3.2867 7.4543 111.6652 63.9991 67.8370 176.0363 *185 A 4.1009 7.9224 125.1847 52.3198 20.4491 179.3184 186 A 3.9736 7.6889 117.0972 55.4086 18.5048 178.8730 187 W 4.6932 7.8077 114.0226 59.8017 29.3688 176.6002 188 L 4.3005 7.6745 120.9668 54.9190 41.1291 176.4227 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 *6 D 8.21 4.69 0.00 2.57 2.60 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 7 P 0.00 4.35 0.00 2.28 2.30 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 *9 R 9.02 3.90 0.00 1.83 2.14 0.00 3.25 0.00 0.00 3.45 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 10 D 8.03 4.42 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.06 4.15 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 12 I 7.65 3.61 2.30 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 1.58 0.84 0.97 0.00 0.00 13 V 7.65 3.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.01 0.00 0.00 14 D 8.53 4.42 0.00 2.83 2.74 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 15 T 7.91 3.80 4.44 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 1.17 0.00 0.00 16 A 8.62 3.92 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 17 V 7.96 3.40 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 0.77 0.00 0.00 -0.28 0.00 0.00 18 E 8.33 3.85 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 19 L 8.05 4.19 0.00 1.84 1.74 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.16 4.51 1.51 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 0.00 0.00 21 A 7.62 3.83 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 22 H 7.89 4.32 0.00 3.16 3.34 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.71 4.20 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 1.22 0.00 0.00 24 S 7.85 4.85 0.00 4.01 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 25 W 8.76 4.19 0.00 3.35 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 26 E 8.55 3.67 0.00 2.02 1.90 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 2.25 1.93 0.00 27 A 7.42 4.11 1.30 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 0.00 0.00 28 V 7.68 3.92 1.58 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 0.58 0.00 0.00 0.95 0.00 0.00 29 R 7.84 4.66 0.00 2.12 1.80 0.00 3.30 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 30 L 8.28 4.05 0.00 1.72 1.76 1.04 0.72 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 31 Y 8.03 4.04 0.00 3.07 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 32 D 8.06 4.19 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.60 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.89 0.00 0.00 34 A 8.01 3.92 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 35 A 7.52 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.19 3.80 0.00 1.71 2.06 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 37 L 8.07 4.11 0.00 1.73 1.68 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.72 3.66 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 39 V 7.73 4.58 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 40 S 8.24 4.43 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.56 4.02 0.00 1.84 1.77 1.02 1.33 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 42 D 7.45 4.44 0.00 2.68 2.73 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 43 E 8.09 4.16 0.00 2.27 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 0.00 2.41 2.39 0.00 44 I 7.88 3.97 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.95 1.07 0.00 0.00 45 R 7.66 5.06 0.00 1.84 2.01 0.00 3.17 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 46 L 7.73 3.99 0.00 1.53 1.15 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.69 4.10 0.00 3.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.19 5.13 0.00 3.20 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 49 R 9.25 4.38 0.00 1.85 2.02 0.00 3.12 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 50 E 7.78 4.83 0.00 2.06 1.85 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 2.33 2.34 0.00 51 K 8.69 4.06 0.00 1.71 1.78 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.12 7.81 52 D 8.52 4.59 0.00 2.83 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 53 E 7.98 4.13 0.00 2.59 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 2.48 2.51 0.00 54 L 7.95 3.76 0.00 2.03 1.67 0.84 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.13 3.77 2.13 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 1.18 0.00 0.00 56 D 8.49 4.56 0.00 3.02 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 57 A 8.19 4.15 1.59 0.00 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0.00 0.00 0.00 75 F 8.55 4.01 0.00 3.12 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 76 L 7.49 4.14 0.00 1.81 1.73 1.09 1.09 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 77 D 7.66 4.39 0.00 2.84 2.69 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 78 L 7.19 4.03 0.00 1.30 1.47 0.81 0.87 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 79 V 7.86 3.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.90 0.00 0.00 80 A 8.52 3.94 1.30 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 0.00 0.00 81 S 8.03 4.08 0.00 4.01 4.08 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 82 E 8.19 3.98 0.00 2.20 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 2.41 1.99 0.00 83 R 8.27 3.76 0.00 1.95 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0.00 0.00 1.42 1.14 0.00 *147 L 7.81 4.11 0.00 1.58 1.63 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.55 4.12 0.00 2.01 1.85 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 2.40 2.34 0.00 149 E 8.63 3.95 0.00 2.02 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 2.32 2.33 0.00 150 S 8.09 4.13 0.00 4.05 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 0.00 151 T 7.87 4.07 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 152 L 7.99 3.98 0.00 1.75 1.79 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 153 T 8.20 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 154 T 8.54 4.02 4.44 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 1.25 0.00 0.00 155 I 7.94 3.98 2.04 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 1.38 0.60 0.95 0.00 0.00 156 Y 8.53 4.38 0.00 2.98 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 0.00 157 L 8.47 4.18 0.00 2.04 1.85 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *159 T 7.75 4.36 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 160 F 8.44 4.59 0.00 2.77 3.36 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 0.00 161 F 8.37 3.80 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 F 8.21 4.16 0.00 2.65 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 W 8.95 4.81 0.00 3.55 3.51 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 *165 R 7.86 3.87 0.00 1.57 1.77 0.00 3.14 0.00 0.00 3.07 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 166 D 7.16 4.13 0.00 2.23 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 0.00 167 E 8.33 4.18 0.00 1.81 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 2.18 2.28 0.00 168 S 8.29 4.32 0.00 3.95 4.01 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 0.00 169 E 8.51 3.89 0.00 1.98 1.85 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 2.37 2.24 0.00 170 N 9.41 4.17 0.00 2.87 2.87 0.00 0.00 7.16 7.63 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 0.00 171 S 7.86 3.94 0.00 4.25 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 0.00 172 R 8.40 4.02 0.00 1.77 1.98 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 173 H 8.34 4.62 0.00 3.75 3.72 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 T 8.63 4.21 4.68 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 1.58 0.00 0.00 175 R 8.57 4.18 0.00 1.98 2.13 0.00 3.45 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 176 Q 8.35 4.03 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 177 F 8.55 4.22 0.00 2.72 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 0.00 178 L 8.62 3.95 0.00 2.08 1.98 1.05 0.42 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 0.00 179 K 8.08 3.77 0.00 2.01 1.92 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.37 7.81 180 R 7.79 3.69 0.00 1.82 1.71 0.00 3.31 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 181 H 7.44 3.99 0.00 2.80 3.18 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.86 4.11 0.00 1.82 1.63 0.97 0.58 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 0.00 183 T 7.45 3.29 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 -0.04 0.00 0.00 *185 A 7.92 4.10 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 0.00 186 A 7.69 3.97 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 0.00 187 W 7.81 4.69 0.00 3.38 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 0.00 188 L 7.67 4.30 0.00 1.65 1.60 1.04 1.17 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 * Residues marked with a * may have inaccurate shift predictions.