NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5122 8.3349 115.4204 58.2771 64.4994 173.1310 1 L 4.4705 8.4482 122.4837 54.2512 44.0018 174.4706 2 I 5.2200 8.5626 118.9187 59.2231 41.7095 174.3881 3 R 4.7062 9.1873 126.9790 54.4101 34.5116 173.9048 4 I 4.8898 8.3714 122.5899 59.4203 40.9947 174.2778 5 G 4.5241 8.9535 113.8847 45.0319 0.0000 170.8274 6 H 5.5092 8.8580 120.4283 54.1701 33.8384 172.3119 7 G 4.3999 9.0442 110.4347 44.7210 0.0000 171.2393 8 F 5.5250 8.6073 123.8870 56.6353 42.6659 172.9525 9 D 4.6028 8.4444 124.4794 52.5475 45.0772 173.9485 10 V 4.6626 7.9535 121.8932 61.2704 35.2761 174.1372 11 H 4.6817 9.0018 125.6036 54.2321 32.4399 172.0350 12 A 4.2080 7.9299 127.9126 50.9162 19.5205 176.8688 13 F 4.7310 8.0764 121.0295 57.8895 39.8199 175.3925 14 G 4.4797 8.6553 107.9508 45.0601 0.0000 171.8621 15 E 5.0075 8.8662 120.5737 54.4332 33.2119 174.5048 16 D 5.4454 8.6263 119.9315 53.1468 43.8589 176.1250 17 R 4.6855 8.9409 121.4962 54.4223 33.5491 172.3351 18 P 4.9608 0.0000 0.0000 62.8387 32.4346 175.4108 19 L 4.9189 9.0973 121.7630 53.1561 46.8193 175.3113 20 I 4.8910 8.3275 120.5203 59.8721 39.2073 175.5572 21 I 4.4457 8.9902 128.6878 60.3172 40.0361 176.2617 22 G 4.0307 9.5755 114.1901 46.7678 0.0000 174.1164 23 G 3.8945 8.4593 104.1854 45.4573 0.0000 173.8810 24 V 4.4696 7.7524 119.9920 60.7415 34.4254 174.3737 25 E 4.8573 8.7353 126.8152 56.0969 30.3622 176.3904 26 V 4.6939 8.9159 117.5199 58.8760 36.3301 173.0503 27 P 4.7910 0.0000 0.0000 62.7467 32.6324 174.6931 28 Y 4.6465 9.2808 123.8100 56.1426 41.3652 173.5020 29 H 5.1276 8.3366 126.5214 55.1793 31.7867 173.9289 30 T 4.4011 8.8403 122.2079 63.1264 71.3271 175.5540 31 G 4.0700 8.6352 112.9618 44.1972 0.0000 172.0287 32 F 3.8921 8.6355 120.9223 58.3517 39.6829 175.7974 33 I 3.6688 7.2518 128.7121 60.2200 36.5379 175.5693 34 A 4.4220 8.2719 128.9777 52.5306 18.9094 176.5289 35 H 4.9613 8.8014 117.2110 55.2821 29.7679 173.4587 36 S 4.6122 7.5450 113.6343 57.5710 65.1573 173.4149 37 D 4.4486 8.7184 118.4440 53.7828 39.3177 176.8999 38 G 3.5641 7.9418 107.5168 46.6678 0.0000 174.5832 39 D 4.4161 8.0434 120.0161 53.6228 40.5832 176.9464 40 V 4.1939 8.3540 122.4172 63.2417 31.7017 178.2292 41 A 3.9305 7.9035 120.4014 55.2778 18.3299 179.5696 42 L 4.0252 8.0362 117.2299 57.9301 41.6552 179.5329 43 H 4.2915 8.1669 116.2224 58.7407 28.6540 177.6271 44 A 3.9705 8.1737 122.7333 55.0172 18.2106 179.3964 45 L 3.8790 7.8799 118.8130 58.5898 42.1950 179.2394 46 T 3.8857 8.2286 115.9606 66.9235 68.3659 176.2595 47 D 4.3725 8.2656 120.4193 57.3652 40.8471 178.8263 48 A 4.2532 7.9836 122.6503 54.5131 18.5040 179.8665 49 I 3.6562 7.9316 118.4277 64.5866 37.2558 178.7265 50 L 4.1917 8.0890 120.0234 57.6866 41.3115 179.8177 51 G 3.7413 8.5641 105.9399 47.6296 0.0000 175.6401 52 A 4.5383 8.0737 123.3153 53.7695 18.4704 178.5353 53 A 4.0450 7.2768 115.1647 50.9485 19.4699 176.6683 54 A 3.6119 7.4033 119.3717 53.6477 16.4131 178.3521 55 L 4.5705 8.6369 117.5503 55.7045 43.5946 177.7583 56 G 3.9083 10.1617 112.4448 44.7178 0.0000 176.0423 57 D 4.5598 8.5779 120.8233 51.9452 42.4041 175.3122 58 I 3.7126 8.9993 119.5395 63.8155 37.8515 176.6400 59 G 3.9261 8.5144 108.9332 45.9173 0.0000 174.2059 60 K 4.5559 7.8257 115.2968 55.4712 34.2123 177.9296 61 L 3.7918 7.6085 119.4302 56.2570 41.9156 177.7273 62 F 4.9550 7.4842 125.7794 55.2266 39.1830 174.4274 63 P 4.5033 0.0000 0.0000 62.5365 30.9934 177.4078 *71 N 4.6609 8.0422 115.8382 54.2641 40.7166 173.9718 72 A 4.2900 7.9658 118.4359 52.9579 19.2600 176.2766 73 D 4.8042 7.6921 115.7773 51.7000 43.0946 176.4147 74 S 4.2975 8.7742 123.9649 61.4352 62.6728 176.9285 75 R 4.0787 8.3066 121.0464 58.7316 29.7553 179.1758 76 G 3.6622 7.9428 105.8643 47.9127 0.0000 175.7802 77 L 4.1481 8.0355 121.5603 57.2335 41.6086 179.2966 78 L 3.9741 8.2475 120.5393 58.3588 42.0719 179.2584 79 R 4.0300 8.4575 118.4604 59.2609 29.9766 178.7195 80 E 3.9482 8.5249 119.0069 59.1619 29.6936 178.7237 81 A 3.9616 8.1648 121.0343 55.1160 18.3891 179.4340 82 F 4.2245 8.5042 119.4178 61.1766 39.4679 177.2541 83 R 3.7204 8.2430 118.5698 59.7245 29.4001 178.6105 84 Q 4.2799 8.2294 119.1913 58.2928 28.6340 179.0819 85 V 3.7684 7.6262 119.9052 64.6263 31.5529 178.2833 86 Q 4.1951 7.9761 122.0103 58.4848 28.3207 178.1144 87 E 3.9950 8.0872 119.6426 58.9564 29.2108 178.4490 88 K 4.4281 7.3537 114.8844 56.1367 32.3606 177.3446 89 G 3.6526 7.9934 107.9168 46.0733 0.0000 172.7360 90 Y 5.3525 7.6964 116.5517 55.8005 41.1261 174.8882 91 K 5.1919 9.0972 120.1688 55.0456 37.0191 175.2197 92 I 3.9566 8.6569 121.8373 61.6610 37.1311 176.1059 93 G 3.9793 9.4911 116.7532 47.0504 0.0000 173.0197 94 N 5.0605 7.4722 115.4931 51.3879 40.5646 173.0267 95 V 4.9869 8.7916 113.2871 59.7457 36.4125 174.2596 96 D 5.1149 8.7709 121.7922 52.7794 44.5790 173.9892 97 I 4.8974 8.9986 126.9951 59.8293 40.4086 174.8459 98 T 4.9682 9.0679 123.5411 61.7633 70.9755 172.9881 99 I 4.3783 8.7054 128.8475 60.8100 38.7962 175.3755 100 I 4.8622 9.1422 128.6679 59.9460 38.7263 174.4763 101 A 4.7730 8.4400 127.6457 50.0867 22.3206 176.5475 102 Q 4.2151 8.3477 123.0831 54.7625 27.8061 174.5417 103 A 4.8359 7.3507 121.5210 49.6985 23.2311 173.2440 104 P 4.3026 0.0000 0.0000 64.0934 31.9069 176.9609 105 K 3.9216 8.3813 120.0120 54.2513 33.0022 179.1301 *107 R 4.4849 8.5992 123.4764 54.8572 31.9273 176.2994 108 P 4.2979 0.0000 0.0000 64.9250 31.7458 176.5443 109 H 4.7897 7.9271 113.5233 55.8217 30.0619 176.7383 110 I 3.8212 7.5171 120.1398 64.5125 37.3409 177.2690 111 D 4.4291 8.2142 119.4629 57.3798 41.1177 179.1208 112 A 4.1827 7.5813 118.7060 52.7236 17.9416 179.3252 *114 R 4.2267 8.1571 120.2025 57.8090 32.3796 178.1164 115 A 3.9940 8.1687 119.5141 55.1301 18.2990 179.8878 116 K 3.9465 7.9344 116.5780 59.5550 32.0825 179.7866 117 I 3.6635 7.6692 119.4422 64.3315 37.1761 178.2066 118 A 3.9835 8.5203 121.7832 54.6837 18.0196 179.4391 119 E 3.8066 7.9821 118.2522 59.5945 29.6614 178.5234 120 D 4.4949 7.9275 116.6748 55.9398 40.9694 177.5331 121 L 3.3538 7.3297 117.6928 52.6785 42.8880 176.0165 122 Q 3.2372 7.3270 117.2818 56.9332 26.8197 171.7185 123 C 4.7632 7.6742 110.4392 56.8594 33.3799 172.8463 124 D 4.7520 8.7354 118.2844 52.9254 42.1409 177.5812 125 I 3.6786 8.1391 123.7362 63.5695 38.1916 177.4080 126 E 4.0750 8.4498 119.5145 58.3055 29.7600 176.7784 127 Q 4.4189 8.1948 116.7991 55.7831 29.2137 174.5364 128 V 4.7613 7.6303 118.8837 60.9763 33.8194 174.1726 129 N 5.1045 9.1505 126.5339 51.7319 42.0246 173.1316 130 V 4.9756 8.3826 124.6120 61.0528 34.3726 174.3453 131 K 4.8956 9.4678 126.2570 55.0500 36.4870 174.8098 132 A 5.1583 8.4546 121.3589 50.6673 22.2574 175.0454 133 T 4.8165 9.0115 115.3624 60.8422 71.8841 172.0730 134 T 5.0284 8.4191 113.5862 59.6567 72.3208 173.5452 135 T 4.3576 8.2522 108.7168 60.9652 69.4641 174.5612 136 E 3.6518 8.7503 118.5473 58.2963 27.3045 175.6830 137 K 4.1410 8.4619 112.6018 56.8074 31.2342 176.6013 138 L 4.4888 7.5869 119.5550 53.9804 43.7775 177.9852 139 G 4.2227 8.3893 110.1676 44.9480 0.0000 174.1611 140 F 4.4273 8.3160 113.1035 60.0634 37.7565 177.4971 141 T 4.2511 6.3757 111.4762 63.9806 68.8495 176.8874 142 G 3.5916 7.8469 108.0816 47.1126 0.0000 174.8792 143 R 4.4290 7.9793 117.4383 55.2184 30.7677 176.1168 144 Q 3.7740 8.0251 116.8412 57.3469 26.6728 174.1683 145 E 4.4623 8.4912 117.4568 56.5051 30.5681 176.6226 146 G 2.9019 6.7461 105.5029 45.0139 0.0000 171.3880 147 I 4.7637 7.2708 111.1459 59.2600 41.5790 173.9744 148 A 5.1883 9.0627 123.9752 50.9054 23.4905 174.3749 149 C 5.0589 8.6559 117.8989 58.2537 35.6100 172.2130 150 E 5.3718 9.4522 126.6329 54.6048 32.3081 174.3900 151 A 5.2082 9.1412 126.7514 50.6685 23.3825 175.4223 152 V 5.0394 8.6361 112.8035 59.7435 36.3227 174.6755 153 A 5.0259 9.0093 123.5094 50.3976 23.3294 174.9211 154 L 5.0410 8.8523 122.7167 53.3910 44.6934 175.1831 155 L 5.1689 9.1623 126.8885 53.2903 44.2667 175.7363 156 I 5.1162 8.6464 122.6914 59.0553 41.1287 174.8093 157 R 4.0595 8.6408 126.7151 56.8918 30.4475 176.1670 158 Q 4.2461 8.9029 127.7071 56.3410 28.6967 175.3738 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 0 S 8.33 4.51 0.00 4.09 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 1 L 8.45 4.47 0.00 1.72 1.76 0.93 0.41 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 2 I 8.56 5.22 1.91 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 1.36 0.91 0.94 0.00 0.00 3 R 9.19 4.71 0.00 1.40 1.66 0.00 3.50 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.29 0.00 4 I 8.37 4.89 1.86 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 1.28 1.46 0.90 0.00 0.00 5 G 8.95 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.86 5.51 0.00 3.18 3.09 0.00 5.62 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 7 G 9.04 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 0.00 0.00 0.00 0.00 8 F 8.61 5.53 0.00 3.00 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 9 D 8.44 4.60 0.00 2.60 2.40 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 10 V 7.95 4.66 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.72 0.00 0.00 11 H 9.00 4.68 0.00 3.25 3.06 0.00 5.82 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 12 A 7.93 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.08 4.73 0.00 2.99 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 14 G 8.66 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.87 5.01 0.00 2.03 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 2.18 2.41 0.00 16 D 8.63 5.45 0.00 2.59 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 17 R 8.94 4.69 0.00 1.89 2.01 0.00 3.01 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 18 P 0.00 4.96 0.00 2.13 2.05 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 19 L 9.10 4.92 0.00 1.57 1.52 0.67 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.33 4.89 1.86 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 1.34 0.60 0.91 0.00 0.00 21 I 8.99 4.45 1.89 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 1.24 1.13 0.92 0.00 0.00 22 G 9.58 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 23 G 8.46 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.75 4.47 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 0.98 0.00 0.00 1.03 0.00 0.00 25 E 8.74 4.86 0.00 1.90 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 2.30 2.34 0.00 26 V 8.92 4.69 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 0.79 0.00 0.00 0.99 0.00 0.00 27 P 0.00 4.79 0.00 2.10 2.07 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 28 Y 9.28 4.65 0.00 2.97 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 29 H 8.34 5.13 0.00 3.06 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.84 4.40 4.35 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 1.32 0.00 0.00 31 G 8.64 4.07 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 0.00 32 F 8.64 3.89 0.00 2.99 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 33 I 7.25 3.67 1.40 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.41 0.61 0.00 0.00 34 A 8.27 4.42 1.41 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 0.00 0.00 35 H 8.80 4.96 0.00 3.19 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.54 4.61 0.00 4.06 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 37 D 8.72 4.45 0.00 2.78 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 38 G 7.94 3.56 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 0.00 0.00 0.00 39 D 8.04 4.42 0.00 2.77 2.42 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 0.00 0.00 0.00 0.00 40 V 8.35 4.19 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 1.16 0.00 0.00 0.95 0.00 0.00 41 A 7.90 3.93 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 42 L 8.04 4.03 0.00 1.69 1.73 0.95 1.01 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 43 H 8.17 4.29 0.00 3.28 3.29 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.17 3.97 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 45 L 7.88 3.88 0.00 1.89 1.89 0.92 0.87 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 46 T 8.23 3.89 4.42 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 0.00 0.00 0.00 1.22 0.00 0.00 47 D 8.27 4.37 0.00 2.87 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 48 A 7.98 4.25 1.41 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 0.00 0.00 49 I 7.93 3.66 2.02 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 1.57 0.94 0.98 0.00 0.00 50 L 8.09 4.19 0.00 1.69 1.69 0.89 0.74 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 51 G 8.56 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 0.00 0.00 0.00 52 A 8.07 4.54 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 53 A 7.28 4.04 1.19 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 54 A 7.40 3.61 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 55 L 8.64 4.57 0.00 1.68 1.66 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 56 G 10.16 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 57 D 8.58 4.56 0.00 2.88 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 58 I 9.00 3.71 1.92 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 1.20 1.30 0.88 0.00 0.00 59 G 8.51 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 0.00 0.00 0.00 60 K 7.83 4.56 0.00 1.76 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.63 7.81 61 L 7.61 3.79 0.00 1.41 1.02 0.87 0.64 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 62 F 7.48 4.96 0.00 3.05 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 63 P 0.00 4.50 0.00 2.20 2.15 0.00 3.94 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 *71 N 8.04 4.66 0.00 2.77 2.96 0.00 0.00 7.21 7.96 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 72 A 7.97 4.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.69 4.80 0.00 2.68 2.53 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 0.00 74 S 8.77 4.30 0.00 3.85 3.89 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 0.00 0.00 0.00 75 R 8.31 4.08 0.00 2.01 2.10 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 76 G 7.94 3.66 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 0.00 0.00 0.00 77 L 8.04 4.15 0.00 1.94 1.79 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.25 3.97 0.00 1.86 1.85 0.95 1.19 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 79 R 8.46 4.03 0.00 2.10 2.07 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 80 E 8.52 3.95 0.00 2.25 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 1.47 2.00 0.00 81 A 8.16 3.96 1.43 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 0.00 0.00 0.00 82 F 8.50 4.22 0.00 3.06 3.28 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 0.00 83 R 8.24 3.72 0.00 2.09 2.08 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 84 Q 8.23 4.28 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 85 V 7.63 3.77 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 0.73 0.00 0.00 0.96 0.00 0.00 86 Q 7.98 4.20 0.00 1.47 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 87 E 8.09 4.00 0.00 2.23 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 2.29 2.50 0.00 88 K 7.35 4.43 0.00 2.11 1.93 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.69 7.81 89 G 7.99 3.65 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 0.00 90 Y 7.70 5.35 0.00 3.15 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 91 K 9.10 5.19 0.00 1.91 1.96 0.00 1.36 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.49 7.81 92 I 8.66 3.96 1.89 0.00 0.00 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 1.24 0.46 0.95 0.00 0.00 93 G 9.49 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.47 5.06 0.00 2.84 2.88 0.00 0.00 5.79 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 95 V 8.79 4.99 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 0.68 0.00 0.00 0.98 0.00 0.00 96 D 8.77 5.11 0.00 2.73 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 97 I 9.00 4.90 1.87 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 1.22 0.39 0.91 0.00 0.00 98 T 9.07 4.97 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 1.23 0.00 0.00 99 I 8.71 4.38 1.88 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 1.22 0.58 0.92 0.00 0.00 100 I 9.14 4.86 1.87 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 1.18 0.95 0.86 0.00 0.00 101 A 8.44 4.77 1.23 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 0.00 0.00 0.00 102 Q 8.35 4.22 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 103 A 7.35 4.84 1.23 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 0.00 0.00 0.00 104 P 0.00 4.30 0.00 2.18 1.95 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 105 K 8.38 3.92 0.00 1.80 1.67 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.04 7.81 *107 R 8.60 4.48 0.00 1.93 2.04 0.00 3.16 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 108 P 0.00 4.30 0.00 1.85 2.03 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 109 H 7.93 4.79 0.00 3.18 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.52 3.82 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.48 0.98 0.00 0.00 111 D 8.21 4.43 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.58 4.18 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 *114 R 8.16 4.23 0.00 2.07 2.02 0.00 3.13 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 115 A 8.17 3.99 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 0.00 116 K 7.93 3.95 0.00 1.84 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 117 I 7.67 3.66 1.98 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 1.55 0.65 0.87 0.00 0.00 118 A 8.52 3.98 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 0.00 119 E 7.98 3.81 0.00 2.24 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 0.00 2.28 2.33 0.00 120 D 7.93 4.49 0.00 2.66 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 0.00 121 L 7.33 3.35 0.00 1.44 1.27 0.86 0.84 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 0.00 122 Q 7.33 3.24 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 123 C 7.67 4.76 0.00 3.23 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 0.00 124 D 8.74 4.75 0.00 2.71 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 0.00 125 I 8.14 3.68 1.86 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 1.29 1.17 0.90 0.00 0.00 126 E 8.45 4.07 0.00 2.03 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 0.00 2.29 2.27 0.00 127 Q 8.19 4.42 0.00 2.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 128 V 7.63 4.76 2.17 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 0.72 0.00 0.00 0.90 0.00 0.00 129 N 9.15 5.10 0.00 2.84 2.74 0.00 0.00 6.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.38 4.98 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.47 4.90 0.00 1.77 1.84 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.36 7.81 132 A 8.45 5.16 1.20 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 0.00 0.00 133 T 9.01 4.82 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 1.21 0.00 0.00 134 T 8.42 5.03 4.41 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 1.27 0.00 0.00 135 T 8.25 4.36 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 1.10 0.00 0.00 136 E 8.75 3.65 0.00 2.10 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 2.25 2.24 0.00 137 K 8.46 4.14 0.00 1.92 1.96 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.50 7.81 138 L 7.59 4.49 0.00 1.76 1.53 0.91 0.94 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 0.00 139 G 8.39 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 F 8.32 4.43 0.00 3.36 3.32 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 0.00 141 T 6.38 4.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 142 G 7.85 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.98 4.43 0.00 1.86 2.03 0.00 3.35 0.00 0.00 3.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 144 Q 8.03 3.77 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 145 E 8.49 4.46 0.00 2.18 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 2.33 2.33 0.00 146 G 6.75 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 0.00 0.00 0.00 147 I 7.27 4.76 1.90 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 1.21 0.91 1.09 0.00 0.00 148 A 9.06 5.19 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 0.00 149 C 8.66 5.06 0.00 2.92 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 0.00 150 E 9.45 5.37 0.00 2.23 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 151 A 9.14 5.21 1.20 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 0.00 0.00 152 V 8.64 5.04 2.10 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 0.88 0.00 0.00 1.00 0.00 0.00 153 A 9.01 5.03 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 0.00 154 L 8.85 5.04 0.00 1.76 1.52 0.97 0.50 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 0.00 155 L 9.16 5.17 0.00 1.31 1.45 0.68 0.65 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 0.00 156 I 8.65 5.12 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.96 0.00 0.00 157 R 8.64 4.06 0.00 1.95 1.85 0.00 2.91 0.00 0.00 3.06 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 158 Q 8.90 4.25 0.00 2.16 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.32 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.