NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5579 8.1633 118.3398 55.2854 33.6458 173.5500 2 I 4.7275 8.2133 120.6543 59.6248 39.4316 173.4143 3 S 5.4422 9.8774 123.5457 56.7342 67.5412 172.6286 4 L 5.3905 8.8260 121.6235 53.0539 44.9431 175.3365 5 I 5.2729 8.8181 122.5111 59.3246 40.4978 174.3922 6 A 4.9809 9.1530 129.3596 50.5991 23.1558 174.4696 7 A 5.0021 8.7763 122.0456 50.3763 20.8369 176.1572 8 L 4.8037 9.0741 122.9534 53.4154 44.3200 176.7544 9 A 4.9466 8.4790 124.5782 49.6011 21.8615 176.9142 10 V 3.5991 8.1221 110.2311 63.2523 31.9772 177.0382 11 D 4.5474 9.0838 120.7383 54.8457 37.9997 174.8757 12 R 4.0031 7.9561 115.1489 56.7105 28.5553 175.8669 13 V 4.1528 7.5664 119.6365 63.1041 32.2835 175.1787 14 I 5.0321 8.2300 120.8051 58.4987 40.6817 175.4542 15 G 3.5056 8.7932 109.8537 47.0126 0.0000 172.2025 16 M 4.4704 8.8140 121.3181 56.1416 34.1566 175.4400 17 E 4.4071 7.8165 116.2074 57.7554 31.7300 176.1378 18 N 4.5804 7.8587 113.3389 52.1267 39.5441 174.6404 19 A 4.0402 8.0154 122.4912 52.0669 19.0731 177.6552 20 M 3.7234 7.8010 121.4296 54.3078 32.9542 175.9824 21 P 4.4798 0.0000 0.0000 61.0293 29.7891 174.0194 22 W 5.0222 6.7099 115.1536 56.5843 31.4705 174.5590 23 N 4.8636 9.7571 117.2835 52.6025 39.4857 172.5568 24 L 4.9940 8.2149 125.6951 51.0352 43.0654 175.4518 25 P 4.2635 0.0000 0.0000 65.3868 31.4466 177.7846 26 A 4.1063 8.0639 119.1330 55.1761 18.1462 179.0798 27 D 4.6409 7.8237 116.1277 57.1357 41.2494 178.4399 28 L 4.1630 7.8809 119.1553 57.3299 41.7180 178.9773 29 A 4.0302 8.2037 120.9882 54.7667 18.4296 179.3250 30 W 3.9720 8.2321 126.9008 60.6550 30.6312 177.6602 31 F 3.9116 8.6490 120.8682 61.3323 38.7785 177.0697 32 K 3.7671 8.6141 119.4314 59.4781 31.8132 178.8044 33 R 3.7477 8.0465 118.2744 58.7925 30.0454 177.2937 34 N 4.2294 7.2427 113.6635 53.2617 39.0746 175.4547 35 T 4.0607 6.9372 109.7531 61.0875 70.7857 174.2640 36 L 3.8250 7.3036 123.9821 56.6111 42.3203 176.0378 37 N 4.3442 8.7487 120.8922 54.0243 36.7683 174.0285 38 K 4.8060 7.5144 116.1954 53.7324 37.0253 174.1046 39 P 4.6854 0.0000 0.0000 62.8892 33.0466 175.3127 40 V 4.9050 8.7750 115.4229 59.6901 35.0453 174.4267 41 I 4.9091 8.6426 126.6392 59.7688 39.3914 174.7215 42 M 5.1418 8.8029 123.2551 53.0449 34.9791 175.1016 43 G 4.1407 8.7816 107.3370 43.6261 0.0000 174.6807 44 R 4.1638 8.4486 118.6106 59.9171 30.0968 178.2223 45 H 4.2300 8.2712 115.5310 59.3208 28.8552 177.7855 46 T 4.1354 7.9553 118.3445 65.6423 68.2901 176.4079 47 W 4.2468 7.9346 129.8934 60.4582 30.5805 177.9675 48 E 3.7221 7.9961 116.4347 59.1073 29.2385 178.8671 49 S 4.1826 8.0239 114.9976 60.7314 62.9377 176.6143 50 I 3.6304 7.2237 123.1352 63.0690 37.0758 177.1287 51 G 3.7137 8.8873 107.0515 45.1183 0.0000 172.7483 52 R 4.1366 6.4387 113.0764 54.4027 31.4936 172.2575 53 P 4.7001 0.0000 0.0000 62.2968 31.8789 176.2315 54 L 4.0363 8.9435 123.6066 54.1701 41.9485 175.0100 55 P 4.3068 0.0000 0.0000 63.8203 32.0372 176.7257 56 G 3.9392 9.0372 109.3072 45.8043 0.0000 172.7231 57 R 4.9915 7.3562 115.4826 53.8693 34.3631 175.0708 58 K 4.1762 8.1532 123.5903 55.6746 33.4519 175.6746 59 N 4.8608 8.6619 126.5997 52.6746 39.8114 174.1776 60 I 4.6536 8.5177 126.1441 59.4668 39.8018 174.9480 61 I 4.5329 8.3199 128.6994 59.3500 39.1629 174.8550 62 L 4.9540 8.9825 131.4656 54.2695 42.4617 175.2113 63 S 4.7705 9.1613 120.5433 57.2658 66.2277 174.3919 64 S 4.5192 8.8645 117.3973 58.8111 63.6921 174.6075 65 Q 4.4435 7.4094 120.9224 53.5434 30.4219 174.2078 *66 P 4.1795 0.0000 0.0000 62.2336 30.9201 176.7942 67 G 2.0000 8.0951 114.7405 44.8237 0.0000 173.0799 68 T 3.7917 5.9903 119.9115 63.0459 69.0069 174.3000 69 D 5.0106 8.5103 125.4551 54.1637 42.5940 175.6885 70 D 4.9731 8.5355 115.3486 53.4315 40.9067 177.0641 71 R 4.0605 8.2235 118.4738 58.1604 30.4643 176.4075 72 V 4.3616 6.8079 110.6981 59.4588 34.9600 175.2910 73 T 4.3651 8.0816 119.3569 62.5285 69.9651 173.9322 74 W 5.0720 8.7464 125.4369 55.0039 31.6907 175.4751 75 V 4.8018 9.3568 119.2618 60.4392 35.3575 177.1268 76 K 4.7149 9.2632 122.0891 54.3360 32.7563 178.0023 77 S 4.7414 7.5245 111.5817 56.6062 67.1857 174.8987 78 V 3.5249 8.3302 122.4842 66.6195 31.0560 178.1915 79 D 4.4092 8.0188 117.8307 57.1772 40.7449 178.0875 80 E 4.0110 7.8751 118.3235 58.6561 29.4118 178.4852 81 A 4.0634 8.0504 120.6889 55.2420 18.7132 179.3251 82 I 3.7958 7.8688 117.6328 64.2920 37.1673 178.0965 83 A 3.9732 7.8336 121.2274 55.6668 18.0368 179.6235 84 A 3.9682 7.7270 116.9548 55.3036 18.4348 179.0875 85 C 4.2289 8.3956 114.5389 61.8823 28.8591 175.9277 86 G 3.6413 8.3789 109.2779 45.7422 0.0000 173.1662 87 D 4.7478 8.6558 123.0064 52.7259 41.7018 176.5080 88 V 4.5659 7.8558 118.9552 58.5734 35.1232 174.5767 89 P 4.3987 0.0000 0.0000 65.2262 31.3454 176.5467 90 E 5.0269 7.8437 116.1837 54.3456 32.8903 174.3761 91 I 4.5767 8.6459 126.0043 59.7310 40.8114 174.1904 92 M 4.8846 8.5912 125.6395 53.6074 34.5536 174.9924 93 V 4.4603 8.9499 125.0685 61.4766 32.7861 175.7987 94 I 4.3793 8.6151 122.0616 60.6565 38.5874 174.9637 95 G 2.6951 7.9573 108.8612 44.4357 0.0000 172.2095 96 G 3.8008 8.1576 106.9966 43.5972 0.0000 177.3639 97 G 3.6543 8.3952 105.2137 46.5790 0.0000 176.3083 98 R 3.9433 8.2960 119.0323 58.9480 30.6902 178.9605 99 V 3.8166 7.7092 116.3595 66.1439 31.7203 177.3709 100 Y 4.5822 7.7318 116.3007 61.0795 37.8888 178.0238 101 E 4.0141 8.3524 119.5974 59.4771 29.4607 178.9608 102 Q 4.2671 8.2059 115.3651 57.3700 29.0577 176.7200 103 F 4.8887 8.0034 116.2508 57.0089 41.8141 176.8392 104 L 4.1635 8.2709 122.8092 57.9460 41.4518 177.2734 105 P 4.4701 0.0000 0.0000 65.8106 31.2544 178.1059 106 K 4.4420 7.9325 120.6504 55.6757 32.4137 180.2670 107 A 5.0900 7.6846 122.1771 52.9912 19.7126 177.4696 108 Q 4.6910 9.0561 117.4091 55.2662 31.8892 175.2643 109 K 5.3654 8.2963 119.6001 54.7332 36.4142 174.7051 110 L 5.2460 8.5593 124.4929 53.2299 46.2000 175.1122 111 Y 5.1188 9.1773 120.8590 56.5410 40.5059 174.2588 112 L 5.0442 9.0838 125.1023 53.0506 44.9556 176.2269 113 T 4.8964 8.5338 119.6582 62.1140 71.0020 172.7846 114 H 4.8966 8.9959 125.6417 55.0008 29.6818 174.6460 115 I 4.5326 8.6230 125.2161 59.5208 39.5351 175.5966 116 D 4.9837 8.4016 127.2433 53.1171 39.3234 174.0627 117 A 4.5947 7.8089 121.1602 50.2608 22.6843 175.4509 118 E 4.2673 9.0357 123.1437 56.0188 29.4735 176.4246 119 V 4.4228 8.1553 123.6638 60.6258 33.9459 174.8635 120 E 4.2571 8.8223 127.0713 56.1769 30.0855 176.2847 121 G 4.2323 8.1963 110.5712 44.7347 0.0000 172.3689 122 D 4.6036 8.6111 119.9401 56.0774 42.0015 177.4315 123 T 4.6169 7.6258 115.2499 62.9774 70.2040 173.9521 124 H 5.4008 8.6502 121.0762 53.6332 32.8555 173.1384 125 F 4.3242 9.5846 124.6520 57.5583 39.8867 173.4366 126 P 4.2263 0.0000 0.0000 62.4100 31.6949 175.8426 127 D 4.4396 8.5323 120.3151 54.1913 40.8945 175.1547 128 Y 4.5501 8.4018 128.3627 55.9213 39.3803 175.7062 129 E 4.1576 9.2287 121.3303 55.3602 29.9725 171.6894 130 P 4.4022 0.0000 0.0000 66.0269 31.5994 179.2752 131 D 4.7891 7.8667 115.1057 53.5389 40.3743 178.5658 132 D 4.7863 8.2958 117.1078 54.5865 45.3818 174.4461 133 W 5.6015 8.4395 117.9396 55.8840 32.8499 174.0654 134 E 4.7269 9.2061 123.9489 54.7480 31.4220 175.1775 135 S 4.7782 8.7828 118.5262 58.2761 62.6489 173.3706 136 V 4.3900 9.1561 127.0005 63.4993 33.6724 175.6219 137 F 5.0801 8.0968 121.4379 56.5575 43.0208 173.7251 138 S 4.8247 7.8327 120.5251 57.0096 66.8167 173.4975 139 E 4.1995 8.8671 125.5457 54.4034 31.5626 173.5944 140 F 4.4930 8.4654 128.6124 58.0084 40.5968 173.9951 141 H 4.4526 7.3104 121.1294 53.8188 32.8609 172.4313 142 D 4.8291 8.1645 120.0808 52.8615 42.4801 176.2975 143 A 4.4580 8.3663 122.8416 52.3650 19.4917 176.9814 144 D 4.7300 8.6350 118.8618 51.9815 42.1877 175.8391 145 A 4.0730 8.7717 120.3583 54.8157 18.4667 178.3660 146 Q 4.5185 7.8466 112.3177 55.4792 31.1575 175.3240 147 N 5.1593 8.4641 116.4705 51.0140 40.2238 175.7184 148 S 4.2147 9.3511 119.6672 60.8102 63.3430 173.7472 149 H 5.0465 7.7816 115.4679 53.5026 32.9982 173.1546 150 S 4.4062 8.5226 114.5320 58.4694 63.7894 172.2719 151 Y 5.1016 7.0624 122.6801 55.8698 41.8733 172.9306 152 C 4.8585 8.8158 119.8767 57.5801 35.4681 172.3696 153 F 5.1881 8.3634 124.3585 56.1108 40.4941 174.8127 154 E 5.9800 9.5701 122.1132 54.0269 34.5823 174.6567 155 I 5.6304 8.2664 120.9084 59.1473 41.9539 174.0519 156 L 5.4160 8.4945 125.7338 53.1616 45.5266 175.0492 157 E 5.1689 9.1356 122.8212 54.6336 31.9621 175.3317 158 R 3.5104 8.7291 127.9110 56.5024 30.6973 177.1443 159 R 4.2353 7.9276 125.4583 56.9385 30.0335 172.3112 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 1 M 8.16 4.56 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 2 I 8.21 4.73 2.19 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 1.43 0.82 1.02 0.00 0.00 3 S 9.88 5.44 0.00 3.90 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 0.00 4 L 8.83 5.39 0.00 1.77 1.73 1.10 0.81 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 5 I 8.82 5.27 1.74 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.30 0.98 0.00 0.00 6 A 9.15 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.78 5.00 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 8 L 9.07 4.80 0.00 1.50 1.58 0.79 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.48 4.95 1.62 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 10 V 8.12 3.60 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 0.88 0.00 0.00 1.02 0.00 0.00 11 D 9.08 4.55 0.00 2.91 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 12 R 7.96 4.00 0.00 2.25 2.25 0.00 3.14 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 13 V 7.57 4.15 2.22 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 0.99 0.00 0.00 0.94 0.00 0.00 14 I 8.23 5.03 2.13 0.00 0.00 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 1.44 1.01 1.24 0.00 0.00 15 G 8.79 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 0.00 0.00 0.00 16 M 8.81 4.47 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 17 E 7.82 4.41 0.00 1.87 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 2.19 2.38 0.00 18 N 7.86 4.58 0.00 2.69 2.67 0.00 0.00 6.86 7.35 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 19 A 8.02 4.04 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 7.80 3.72 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 21 P 0.00 4.48 0.00 2.16 2.01 0.00 3.33 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 22 W 6.71 5.02 0.00 3.25 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.76 4.86 0.00 2.78 2.78 0.00 0.00 7.40 6.63 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 24 L 8.21 4.99 0.00 1.45 1.07 0.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.16 2.12 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 26 A 8.06 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.82 4.64 0.00 2.55 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 28 L 7.88 4.16 0.00 1.96 1.76 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.20 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.23 3.97 0.00 3.01 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 31 F 8.65 3.91 0.00 3.32 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 32 K 8.61 3.77 0.00 1.98 1.94 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 33 R 8.05 3.75 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 34 N 7.24 4.23 0.00 1.84 1.78 0.00 0.00 6.84 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 35 T 6.94 4.06 3.76 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 0.36 0.00 0.00 36 L 7.30 3.82 0.00 1.73 1.49 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.75 4.34 0.00 2.85 2.84 0.00 0.00 6.76 6.91 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 38 K 7.51 4.81 0.00 1.57 1.52 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.39 7.81 39 P 0.00 4.69 0.00 2.06 2.12 0.00 3.73 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 2.01 1.96 0.00 40 V 8.78 4.91 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 0.62 0.00 0.00 0.98 0.00 0.00 41 I 8.64 4.91 1.55 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 1.20 0.68 0.87 0.00 0.00 42 M 8.80 5.14 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 43 G 8.78 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 0.00 0.00 0.00 44 R 8.45 4.16 0.00 2.10 1.99 0.00 3.69 0.00 0.00 3.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.12 0.00 45 H 8.27 4.23 0.00 3.31 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.96 4.14 4.29 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 1.22 0.00 0.00 47 W 7.93 4.25 0.00 3.39 3.29 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 48 E 8.00 3.72 0.00 2.14 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 2.58 2.48 0.00 49 S 8.02 4.18 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.22 3.63 1.66 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 1.35 0.76 0.88 0.00 0.00 51 G 8.89 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 0.00 0.00 0.00 52 R 6.44 4.14 0.00 1.84 1.77 0.00 3.11 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 53 P 0.00 4.70 0.00 2.28 2.29 0.00 3.87 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 54 L 8.94 4.04 0.00 1.79 1.73 1.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.31 0.00 2.04 1.98 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 56 G 9.04 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.36 4.99 0.00 1.82 1.73 0.00 3.07 0.00 0.00 2.96 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 58 K 8.15 4.18 0.00 1.93 1.64 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 59 N 8.66 4.86 0.00 2.54 2.60 0.00 0.00 6.95 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.52 4.65 1.78 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 1.17 0.77 0.85 0.00 0.00 61 I 8.32 4.53 0.56 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.01 0.68 0.00 0.00 62 L 8.98 4.95 0.00 1.75 1.65 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.16 4.77 0.00 4.11 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.86 4.52 0.00 3.91 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 65 Q 7.41 4.44 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 *66 P 0.00 4.18 0.00 2.08 1.88 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 67 G 8.10 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 5.99 3.79 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 69 D 8.51 5.01 0.00 3.02 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 70 D 8.54 4.97 0.00 2.82 2.89 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 71 R 8.22 4.06 0.00 1.90 2.08 0.00 3.27 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 72 V 6.81 4.36 1.53 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 0.45 0.00 0.00 -0.28 0.00 0.00 73 T 8.08 4.37 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 1.18 0.00 0.00 74 W 8.75 5.07 0.00 3.04 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 75 V 9.36 4.80 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 0.72 0.00 0.00 0.97 0.00 0.00 76 K 9.26 4.71 0.00 1.76 1.70 0.00 1.70 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 0.93 7.81 77 S 7.52 4.74 0.00 3.97 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 78 V 8.33 3.52 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 0.55 0.00 0.00 0.44 0.00 0.00 79 D 8.02 4.41 0.00 2.72 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 80 E 7.88 4.01 0.00 2.11 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 0.00 2.32 2.34 0.00 81 A 8.05 4.06 1.59 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 82 I 7.87 3.80 2.08 0.00 0.00 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 1.85 0.94 0.96 0.00 0.00 83 A 7.83 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 84 A 7.73 3.97 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 85 C 8.40 4.23 0.00 3.07 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 86 G 8.38 3.64 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 0.00 0.00 0.00 87 D 8.66 4.75 0.00 2.62 2.59 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 88 V 7.86 4.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 89 P 0.00 4.40 0.00 2.02 2.10 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 90 E 7.84 5.03 0.00 1.92 1.73 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 2.17 2.35 0.00 91 I 8.65 4.58 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.83 0.00 0.00 92 M 8.59 4.88 0.00 1.74 1.79 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 93 V 8.95 4.46 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 0.79 0.00 0.00 0.08 0.00 0.00 94 I 8.62 4.38 2.18 0.00 0.00 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 1.40 0.81 1.04 0.00 0.00 95 G 7.96 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 0.00 0.00 0.00 96 G 8.16 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.40 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 98 R 8.30 3.94 0.00 1.87 2.04 0.00 3.49 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 99 V 7.71 3.82 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 0.94 0.00 0.00 1.04 0.00 0.00 100 Y 7.73 4.58 0.00 3.19 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 0.00 101 E 8.35 4.01 0.00 2.22 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 2.34 2.34 0.00 102 Q 8.21 4.27 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 103 F 8.00 4.89 0.00 3.26 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.38 1.11 0.34 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.53 4.90 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 114 H 9.00 4.90 0.00 3.01 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.62 4.53 1.25 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.79 0.41 0.00 0.00 116 D 8.40 4.98 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.81 4.59 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 0.00 118 E 9.04 4.27 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 2.34 2.34 0.00 119 V 8.16 4.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.06 0.00 0.00 120 E 8.82 4.26 0.00 2.01 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 2.33 2.32 0.00 121 G 8.20 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 0.00 0.00 0.00 0.00 122 D 8.61 4.60 0.00 2.69 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 0.00 123 T 7.63 4.62 4.29 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 1.30 0.00 0.00 124 H 8.65 5.40 0.00 3.03 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.58 4.32 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.23 0.00 1.76 1.87 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 127 D 8.53 4.44 0.00 2.65 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 0.00 128 Y 8.40 4.55 0.00 2.73 2.80 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 0.00 0.00 0.00 129 E 9.23 4.16 0.00 1.92 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 2.31 1.90 0.00 130 P 0.00 4.40 0.00 2.21 2.19 0.00 3.62 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 131 D 7.87 4.79 0.00 2.70 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 0.00 132 D 8.30 4.79 0.00 2.79 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 0.00 133 W 8.44 5.60 0.00 3.43 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 0.00 134 E 9.21 4.73 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 2.26 2.31 0.00 135 S 8.78 4.78 0.00 4.00 3.87 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 0.00 136 V 9.16 4.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 137 F 8.10 5.08 0.00 3.16 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 7.83 4.82 0.00 3.58 3.57 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 0.00 0.00 0.00 0.00 139 E 8.87 4.20 0.00 1.39 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 2.14 2.18 0.00 140 F 8.47 4.49 0.00 2.94 2.75 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 0.00 141 H 7.31 4.45 0.00 1.40 2.41 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.16 4.83 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.46 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 0.00 144 D 8.63 4.73 0.00 2.89 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 0.00 145 A 8.77 4.07 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 0.00 146 Q 7.85 4.52 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 147 N 8.46 5.16 0.00 2.88 2.74 0.00 0.00 6.58 7.28 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 0.00 148 S 9.35 4.21 0.00 3.98 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 0.00 149 H 7.78 5.05 0.00 2.87 3.19 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.52 4.41 0.00 3.88 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 0.00 151 Y 7.06 5.10 0.00 2.60 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 0.00 152 C 8.82 4.86 0.00 2.90 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 0.00 153 F 8.36 5.19 0.00 2.79 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 0.00 0.00 0.00 154 E 9.57 5.98 0.00 1.89 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 2.57 2.15 0.00 155 I 8.27 5.63 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.76 0.00 0.00 156 L 8.49 5.42 0.00 1.66 1.90 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.14 5.17 0.00 1.90 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 2.40 0.00 158 R 8.73 3.51 0.00 0.67 1.32 0.00 3.00 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 159 R 7.93 4.24 0.00 1.62 1.61 0.00 3.35 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.