NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9575 8.1545 120.3874 61.5490 33.4258 174.5955 3 Q 4.3532 8.5197 119.9412 53.4958 31.4241 169.7338 4 L 5.1694 8.8919 126.0914 52.8537 44.7243 175.8087 5 Q 4.9347 8.9723 123.2875 53.7714 31.7493 171.6136 6 A 5.5418 8.8046 124.8649 49.6184 22.8440 174.4888 7 S 4.4874 9.3472 113.1583 57.5325 67.1728 173.1676 8 G 4.0284 8.6285 104.4287 45.1428 0.0000 173.6766 9 G 3.5770 8.4388 107.8724 46.8433 0.0000 170.0945 10 G 3.8393 8.0795 105.6357 43.9067 0.0000 171.8737 11 S 5.4592 8.2609 114.2949 57.0457 65.3399 174.1133 12 V 4.5256 8.7580 122.8379 61.3642 34.9367 173.8247 *13 Q 4.6312 8.6266 121.9390 54.6797 29.7035 176.2102 14 A 4.1909 8.2657 123.8646 54.4829 18.7609 178.5474 15 G 3.9471 9.6153 111.9283 45.0916 0.0000 173.9819 16 G 4.0074 7.9512 107.1347 45.8630 0.0000 172.6010 17 S 5.3307 8.3609 113.5582 56.9605 67.5496 173.5354 18 L 4.6422 8.6193 120.6061 53.3229 46.5771 175.1310 19 R 4.7737 8.2353 120.8454 54.6888 32.5755 174.3451 20 L 4.7560 8.4798 126.7780 53.6255 43.8909 175.9178 21 S 5.5264 9.1074 117.3972 57.3236 67.3890 172.3108 22 C 5.4512 9.0662 121.4623 55.2305 47.2205 172.4408 23 A 5.0998 9.2763 126.8444 50.0579 21.8667 174.5711 24 A 5.3084 8.6904 123.9729 50.3268 21.3130 176.6218 25 S 4.5780 9.0018 115.7174 57.6058 66.1127 174.8886 26 G 3.9441 9.2501 109.7522 45.5851 0.0000 173.1859 27 Y 4.6584 7.6100 117.0281 57.1304 39.4143 175.2152 28 T 4.6387 8.5113 108.8110 61.6455 70.9332 174.2496 29 I 4.3522 7.9837 119.1448 62.7844 39.6782 176.4215 30 G 3.5830 7.7174 107.8945 44.2519 0.0000 170.8377 31 P 3.9456 0.0000 0.0000 62.1257 32.5877 175.1822 32 Y 4.2198 8.7336 119.6010 59.4750 40.0876 174.4636 33 C 5.5706 8.0743 114.7581 55.3372 46.0099 173.2017 34 M 5.3581 8.7948 120.4291 53.9873 36.1152 174.7917 35 G 4.3365 8.9144 108.9033 45.4144 0.0000 171.3023 36 W 5.6647 9.4424 118.9847 54.9590 32.8672 175.2621 37 F 5.5014 9.9456 122.0641 55.9799 43.2968 173.7690 38 R 5.1481 9.2333 115.4422 55.2551 33.3394 174.1730 39 Q 4.7564 9.1321 121.1239 54.5487 32.1614 174.2827 40 A 4.6264 8.6589 128.4079 50.4806 20.4444 174.5694 41 P 4.2290 0.0000 0.0000 64.4099 31.5177 177.5749 42 G 3.9104 8.9065 110.7787 45.6039 0.0000 173.0537 43 K 4.4822 7.7480 118.7817 54.5386 34.0399 175.9566 44 E 4.2535 8.2764 119.4429 55.6497 30.2090 177.2307 45 R 4.2996 8.2411 121.6895 56.5741 30.9602 175.4300 46 E 4.9282 9.2795 121.0590 54.4412 33.4731 174.9399 47 G 3.5330 8.6915 107.6821 45.8515 0.0000 172.4546 48 V 4.4934 8.2103 119.8015 63.4868 34.0135 175.0276 49 A 5.0009 7.5885 119.1037 51.1713 22.5090 174.2914 50 A 5.1252 8.7979 120.5087 50.8083 23.7378 175.1506 51 I 5.1329 8.6774 118.5097 59.6278 42.2744 173.7274 52 N 4.9289 9.2354 127.0503 53.0404 38.9107 176.1645 53 S 4.7731 8.3265 121.3101 60.3901 63.7278 175.0167 54 G 3.7472 7.5577 108.9685 47.0694 0.0000 171.7865 55 G 4.0500 9.2811 115.2010 44.2705 0.0000 174.1656 56 G 3.9230 8.0527 105.5477 45.5791 0.0000 173.6041 57 S 4.3331 7.9538 116.1898 58.7100 63.7994 173.4150 58 T 5.0275 8.0932 113.2543 60.1979 71.2092 172.9561 59 Y 4.8514 8.4731 119.3263 56.7404 42.4426 173.9507 60 Y 5.1288 8.6324 119.0331 56.0437 42.4068 174.9889 61 A 4.2620 8.9375 124.1436 51.6959 19.3594 178.6067 62 D 4.3593 9.0244 120.7960 57.4719 41.1315 179.3975 63 S 4.2358 8.0518 112.1796 60.2804 63.3008 174.9750 64 V 3.8155 7.6912 112.4774 60.1513 32.7296 175.5872 65 K 3.8775 7.2883 119.2058 58.0598 32.1688 177.2812 66 G 3.9711 8.8006 111.9393 44.9990 0.0000 173.8813 67 R 4.5824 7.9761 117.4926 56.5730 33.1026 175.9803 68 F 5.6082 8.1972 115.6903 56.2074 41.5280 175.8404 69 T 4.8678 8.8807 118.1328 62.0730 72.1988 172.6213 70 I 5.1686 9.3342 127.9028 59.7435 39.8735 174.5423 71 S 5.0280 9.1167 122.4842 57.6526 67.5337 171.8195 72 Q 4.8168 8.3928 116.5234 55.9247 32.1154 173.2292 73 D 5.2655 8.8046 117.7096 52.1579 41.3101 175.1617 74 N 4.3035 8.7761 121.5527 55.1002 37.7431 178.0546 75 A 4.0036 7.8669 121.4528 54.1777 18.5167 178.1280 76 K 4.4120 8.0341 112.7421 55.4012 33.1909 175.9234 77 N 4.1376 7.6832 115.9809 54.9823 36.7577 173.1943 78 T 5.2053 7.3277 106.3679 59.9345 73.2581 174.2170 79 V 4.6972 8.1437 120.7297 60.4842 35.3750 173.5534 80 Y 5.6166 9.3426 119.1639 56.4493 42.8196 174.4017 81 L 4.8706 8.7386 123.1746 53.2926 45.2361 174.8912 82 L 4.4119 8.9456 130.3844 54.3031 43.6162 175.1303 83 M 4.0782 8.9442 127.0572 53.7148 33.6133 174.9692 84 N 5.1752 8.6261 120.9200 50.1381 41.6812 174.7741 85 S 3.7203 8.5119 113.1435 59.5635 60.7273 173.3520 86 L 4.4976 7.7999 119.0473 55.0525 42.5551 176.8921 87 E 5.0200 9.4020 120.7152 53.6640 33.6317 175.0770 88 P 4.7471 0.0000 0.0000 65.9157 31.4130 179.0326 89 E 4.2470 8.1299 111.4259 57.6519 29.7156 179.3383 90 D 4.8487 8.4266 116.5535 56.1431 41.4709 176.9113 91 T 4.3516 7.9616 117.2905 63.6766 68.9961 173.6801 92 A 4.3647 8.4867 127.3509 51.9137 23.8711 174.7183 93 I 4.5533 7.9884 120.3108 61.0572 38.5482 175.1925 94 Y 5.0016 9.3446 125.6336 56.8383 40.0960 174.2580 95 Y 5.2702 9.6747 121.4303 56.4321 41.3090 174.1561 96 C 4.2832 8.9782 123.5274 55.8572 43.7447 171.9228 97 A 4.7972 8.4659 125.3903 50.5321 22.8726 174.6799 98 A 5.0630 8.4847 119.5118 50.5326 23.4912 174.9257 99 D 4.8917 8.5138 120.1391 52.6855 42.6603 177.2221 100 S 4.3336 9.3450 122.9040 60.1022 63.4432 175.0272 101 T 3.5781 7.6428 118.5246 63.2907 68.2165 174.7418 102 I 4.1267 7.6420 127.9999 59.5109 36.2194 174.9435 103 Y 3.8020 7.0292 122.0506 57.7437 38.4743 177.0583 104 A 4.0764 8.6378 126.4693 55.3192 18.8001 178.5610 105 S 4.7358 7.6904 109.5218 56.8502 64.5995 173.5404 106 Y 4.3805 8.5585 122.8105 58.1866 38.9537 174.6673 107 Y 4.3058 7.7580 127.0559 55.4066 41.3706 174.5759 108 E 3.9982 7.5110 126.0270 54.8339 29.7240 178.2158 109 C 4.3736 8.4911 122.8036 59.1259 38.1618 176.0670 110 G 2.8894 5.6796 106.6926 46.6118 0.0000 174.8553 111 H 4.1278 7.6348 121.3291 59.5567 29.8390 177.3377 112 G 4.6700 7.9156 106.6772 46.9961 0.0000 175.5072 113 L 3.8686 7.9858 122.0530 56.9247 41.3596 178.5224 114 S 4.8896 7.4992 109.6089 57.8748 64.0105 174.3228 115 T 4.5464 7.6480 112.8628 61.7641 68.9802 174.5945 116 G 4.0427 9.2769 106.2433 47.9032 0.0000 174.8251 117 G 4.1075 8.7568 105.6668 45.8195 0.0000 173.5799 118 Y 4.4504 7.8871 120.3178 59.0150 39.1281 174.9849 119 G 3.7698 8.4252 114.2422 45.8131 0.0000 172.8572 120 Y 4.0611 7.8408 117.3495 57.4284 36.7272 174.7560 121 D 4.7801 8.3709 124.9158 54.1487 40.9899 176.6501 122 S 4.9412 7.8957 116.0980 56.4728 65.8512 173.2852 123 W 5.4190 8.6504 122.4856 54.8609 32.9564 175.3255 124 G 4.1028 9.2737 113.8632 46.0535 0.0000 174.6306 125 Q 4.3503 8.7964 118.0347 56.3206 28.4713 175.7448 126 G 3.6653 8.3041 105.0982 45.1629 0.0000 172.9732 127 T 4.6502 8.9634 120.6038 61.3832 72.0048 173.2866 128 Q 4.4333 8.7420 127.9096 56.0528 30.7854 174.6129 129 V 4.7695 8.8154 125.6223 61.4398 34.7556 174.0898 130 T 4.9010 9.1959 124.6788 61.6947 71.9334 172.9921 131 V 4.9060 8.8252 127.1140 60.9662 34.2208 175.5473 132 S 4.4553 8.8528 122.4007 58.5826 63.3211 174.1342 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 V 8.15 3.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.78 0.00 0.00 3 Q 8.52 4.35 0.00 1.70 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 4 L 8.89 5.17 0.00 1.66 1.55 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.97 4.93 0.00 1.71 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 6 A 8.80 5.54 1.48 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 7 S 9.35 4.49 0.00 3.89 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 8 G 8.63 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 9 G 8.44 3.58 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 0.00 0.00 0.00 10 G 8.08 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 0.00 0.00 0.00 11 S 8.26 5.46 0.00 3.86 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 12 V 8.76 4.53 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 0.57 0.00 0.00 0.90 0.00 0.00 *13 Q 8.63 4.63 0.00 1.77 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 14 A 8.27 4.19 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 15 G 9.62 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.95 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 0.00 0.00 0.00 17 S 8.36 5.33 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.62 4.64 0.00 1.27 1.27 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.24 4.77 0.00 1.65 1.68 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 20 L 8.48 4.76 0.00 0.49 1.06 0.24 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.11 5.53 0.00 3.91 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 22 C 9.07 5.45 0.00 2.92 2.68 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 0.00 23 A 9.28 5.10 1.22 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 24 A 8.69 5.31 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 25 S 9.00 4.58 0.00 3.86 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 26 G 9.25 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 27 Y 7.61 4.66 0.00 2.97 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 28 T 8.51 4.64 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 I 7.98 4.35 1.89 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 1.36 0.69 0.91 0.00 0.00 30 G 7.72 3.58 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 0.00 0.00 0.00 31 P 0.00 3.95 0.00 2.16 1.26 0.00 3.37 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 32 Y 8.73 4.22 0.00 3.16 3.06 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 33 C 8.07 5.57 0.00 2.65 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 34 M 8.79 5.36 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 35 G 8.91 4.34 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 0.00 36 W 9.44 5.66 0.00 3.33 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 37 F 9.95 5.50 0.00 3.35 3.25 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 38 R 9.23 5.15 0.00 0.97 1.02 0.00 2.44 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 39 Q 9.13 4.76 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 40 A 8.66 4.63 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 41 P 0.00 4.23 0.00 2.07 2.07 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 42 G 8.91 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 43 K 7.75 4.48 0.00 1.88 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.55 7.81 44 E 8.28 4.25 0.00 2.22 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 2.31 1.86 0.00 45 R 8.24 4.30 0.00 1.63 1.72 0.00 2.88 0.00 0.00 2.59 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 46 E 9.28 4.93 0.00 2.02 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 2.38 2.26 0.00 47 G 8.69 3.53 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 0.00 0.00 0.00 48 V 8.21 4.49 2.36 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 1.42 0.00 0.00 0.99 0.00 0.00 49 A 7.59 5.00 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 50 A 8.80 5.13 1.24 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 0.00 0.00 0.00 51 I 8.68 5.13 1.93 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 1.27 1.54 1.03 0.00 0.00 52 N 9.24 4.93 0.00 2.87 2.84 0.00 0.00 6.81 7.18 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 53 S 8.33 4.77 0.00 3.58 3.82 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 54 G 7.56 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 55 G 9.28 4.05 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 0.00 0.00 0.00 56 G 8.05 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 0.00 0.00 0.00 57 S 7.95 4.33 0.00 3.95 3.60 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 58 T 8.09 5.03 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 1.31 0.00 0.00 59 Y 8.47 4.85 0.00 2.83 2.81 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 0.00 0.00 0.00 60 Y 8.63 5.13 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 61 A 8.94 4.26 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 62 D 9.02 4.36 0.00 2.71 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 63 S 8.05 4.24 0.00 3.90 3.97 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 64 V 7.69 3.82 0.94 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 0.26 0.00 0.00 1.06 0.00 0.00 65 K 7.29 3.88 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.63 7.81 66 G 8.80 3.97 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 0.00 0.00 0.00 67 R 7.98 4.58 0.00 1.87 2.38 0.00 3.33 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 68 F 8.20 5.61 0.00 2.84 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.88 4.87 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 70 I 9.33 5.17 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.87 0.00 0.00 71 S 9.12 5.03 0.00 4.04 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 72 Q 8.39 4.82 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 73 D 8.80 5.27 0.00 2.96 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.78 4.30 0.00 2.95 3.13 0.00 0.00 6.02 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.87 4.00 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 76 K 8.03 4.41 0.00 1.80 1.85 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.41 7.81 77 N 7.68 4.14 0.00 2.90 2.84 0.00 0.00 6.51 6.71 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 78 T 7.33 5.21 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 1.26 0.00 0.00 79 V 8.14 4.70 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 0.46 0.00 0.00 1.12 0.00 0.00 80 Y 9.34 5.62 0.00 2.94 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 81 L 8.74 4.87 0.00 0.32 0.37 0.99 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.95 4.41 0.00 1.73 1.48 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 83 M 8.94 4.08 0.00 1.03 1.51 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.81 0.00 84 N 8.63 5.18 0.00 2.76 2.72 0.00 0.00 7.11 7.48 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 85 S 8.51 3.72 0.00 4.02 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 86 L 7.80 4.50 0.00 1.82 1.63 0.83 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.40 5.02 0.00 2.07 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 2.21 2.11 0.00 88 P 0.00 4.75 0.00 2.19 2.15 0.00 3.89 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 2.14 2.09 0.00 89 E 8.13 4.25 0.00 1.99 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 2.23 1.90 0.00 90 D 8.43 4.85 0.00 2.93 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.96 4.35 4.37 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 1.34 0.00 0.00 92 A 8.49 4.36 1.24 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 0.00 0.00 0.00 93 I 7.99 4.55 1.87 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 1.27 0.98 0.45 0.00 0.00 94 Y 9.34 5.00 0.00 3.06 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 95 Y 9.67 5.27 0.00 3.25 3.23 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 96 C 8.98 4.28 0.00 2.34 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 97 A 8.47 4.80 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 98 A 8.48 5.06 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 99 D 8.51 4.89 0.00 1.83 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 9.34 4.33 0.00 3.89 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 0.00 101 T 7.64 3.58 3.22 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 0.07 0.00 0.00 102 I 7.64 4.13 1.80 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 0.78 1.01 0.00 0.00 103 Y 7.03 3.80 0.00 2.36 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 0.00 104 A 8.64 4.08 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 0.00 105 S 7.69 4.74 0.00 3.95 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 0.00 106 Y 8.56 4.38 0.00 2.96 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 0.00 107 Y 7.76 4.31 0.00 2.03 2.13 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 0.00 108 E 7.51 4.00 0.00 1.65 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 0.00 2.61 2.25 0.00 109 C 8.49 4.37 0.00 3.03 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 0.00 110 G 5.68 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 0.00 0.00 0.00 111 H 7.63 4.13 0.00 2.98 3.18 0.00 5.79 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 0.00 112 G 7.92 4.67 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 0.00 0.00 0.00 113 L 7.99 3.87 0.00 1.98 1.67 0.31 0.71 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 0.00 114 S 7.50 4.89 0.00 4.08 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 0.00 115 T 7.65 4.55 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 116 G 9.28 4.04 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 0.00 117 G 8.76 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 7.89 4.45 0.00 3.19 3.06 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 0.00 119 G 8.43 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.84 4.06 0.00 3.06 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 0.00 0.00 0.00 0.00 121 D 8.37 4.78 0.00 2.66 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 0.00 122 S 7.90 4.94 0.00 3.73 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 0.00 123 W 8.65 5.42 0.00 3.07 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 0.00 0.00 124 G 9.27 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 0.00 0.00 0.00 125 Q 8.80 4.35 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 126 G 8.30 3.67 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 0.00 0.00 0.00 127 T 8.96 4.65 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 1.26 0.00 0.00 128 Q 8.74 4.43 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 129 V 8.82 4.77 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 0.46 0.00 0.00 130 T 9.20 4.90 4.25 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 1.23 0.00 0.00 131 V 8.83 4.91 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 1.03 0.00 0.00 0.96 0.00 0.00 132 S 8.85 4.46 0.00 3.95 3.95 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.