NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.5711 8.2893 120.7081 54.7573 32.7791 174.6239 4 S 4.5232 8.5820 120.4383 57.8483 63.8135 171.5898 5 Y 5.0176 9.7431 117.5708 57.1959 42.8978 176.8932 6 S 5.1681 9.1688 122.1224 57.6878 67.0593 173.9736 7 I 5.1285 8.6028 123.6306 58.5127 38.8737 172.1767 8 T 5.0160 8.9516 125.8366 61.2227 70.4772 174.0588 9 L 5.7006 9.5442 127.3271 52.2106 44.8581 175.5919 10 R 4.9012 8.6370 121.7150 54.3712 33.3273 174.4610 11 V 4.8476 8.4612 123.9083 61.6276 33.2925 174.1910 12 Y 4.6375 9.7232 126.4109 56.3440 40.3324 174.5182 13 Q 5.0835 8.9071 123.4904 54.6311 30.1741 175.3133 14 T 4.5604 9.2170 117.1409 62.3877 71.0710 175.2824 15 N 4.9909 8.1497 121.6065 50.6724 40.4916 180.3625 16 R 4.1860 9.0135 124.9605 58.0392 29.7224 174.5138 17 D 4.4945 7.8552 118.4341 58.1115 39.9996 184.6259 18 R 4.2120 7.8822 115.4107 56.6021 29.4172 179.6232 19 G 3.8706 7.7912 106.1268 45.9637 0.0000 171.7512 20 Y 4.8272 8.1741 119.3828 55.9154 40.4619 175.0053 21 F 4.7906 8.6716 125.7875 56.5665 40.7708 175.5641 22 S 4.7619 8.8990 116.8835 56.6675 67.5927 173.5734 23 I 3.7825 8.2782 123.9883 61.5471 37.1191 176.2581 24 V 4.3123 8.6612 119.5089 60.6637 33.2170 175.1005 25 E 4.6819 7.3969 118.9879 55.5176 32.9289 174.7892 26 K 4.7666 8.5295 124.2701 55.2816 35.6762 175.5421 27 T 4.9127 8.9994 115.5140 59.8012 72.2718 173.2154 28 V 5.0122 8.3011 121.7821 60.8016 34.2070 175.0942 29 W 4.6614 9.3859 135.0000 57.6393 31.7911 175.9954 30 H 4.5489 6.6029 118.6404 55.4256 28.7048 175.1956 31 F 4.6569 6.9486 119.8564 57.2343 39.8673 174.3323 32 A 3.9929 9.4413 120.9456 53.6528 15.7751 176.8167 33 N 4.2387 8.9697 111.8249 55.4169 36.9368 177.1205 34 G 3.7140 8.0663 107.0718 46.8349 0.0000 172.5083 35 G 4.2617 7.8808 107.3246 47.3782 0.0000 171.6437 36 T 4.8717 7.8026 108.1663 60.2456 72.4500 172.8077 37 W 5.3539 8.7810 122.8566 55.5043 30.9658 175.6114 38 S 4.9695 9.5639 117.8106 56.8225 66.6264 172.2628 39 E 5.2413 8.4745 119.7753 54.8547 32.8687 174.3313 40 A 4.3103 9.4750 127.5723 53.5556 22.6264 176.7530 41 N 4.1913 10.0081 117.6864 53.3199 35.0750 174.0073 42 G 3.9087 8.4971 103.6676 46.3588 0.0000 173.6670 43 A 4.9795 8.2908 121.1469 50.0865 22.4797 175.5492 44 H 5.4412 9.4588 118.2225 54.5369 31.2570 173.7954 45 T 5.1084 9.2199 120.5661 61.6057 71.7589 173.1689 46 L 4.2052 8.5957 130.4975 54.0589 44.0177 175.5379 47 T 4.9490 8.2651 121.7945 60.2854 70.3034 170.6138 48 Q 5.0522 9.8045 126.4705 52.2793 32.1475 177.0675 49 G 3.9752 8.4507 111.8842 47.0961 0.0000 171.5053 50 G 4.0459 8.2201 105.8249 43.9471 0.0000 173.6196 51 S 4.1232 8.4287 113.1110 58.4420 63.2522 174.5322 52 G 4.3557 8.9854 113.9412 45.7442 0.0000 172.9778 53 T 5.0101 7.6674 113.6637 61.6044 70.8900 170.8667 54 S 4.8605 8.4534 113.6206 59.1703 66.1321 174.1673 55 G 4.6817 8.4576 105.1262 46.0441 0.0000 172.5932 56 V 5.2505 9.1197 119.8360 60.9214 35.2851 174.0470 57 L 4.7009 8.6673 126.8287 52.7612 44.2566 175.1387 58 R 4.9939 8.3519 124.0462 54.6178 32.4459 174.6343 59 F 5.1984 9.7894 125.1125 55.8083 42.4409 174.4787 60 L 5.3637 9.0865 123.5049 53.5604 45.0996 176.4281 61 S 4.9489 8.4109 121.4476 56.5450 64.8162 174.9754 62 T 4.0318 8.4477 111.0402 63.5244 68.7785 175.7020 63 K 4.3398 7.9634 124.2687 54.2509 31.9505 182.8659 64 G 4.0404 7.5832 105.7955 47.0414 0.0000 173.9964 65 E 4.3969 7.2715 120.9122 55.4682 31.4804 175.5899 66 R 5.3545 8.6424 123.6459 54.6804 33.5220 174.4709 67 I 5.4576 9.1309 124.3898 59.6897 41.9837 174.5880 68 T 5.3196 8.8139 114.3303 59.9784 72.4393 172.8655 69 V 4.8143 9.1173 123.5450 61.2907 34.3736 173.8272 70 A 5.1117 9.1658 130.6146 50.4058 21.1527 175.7505 71 V 4.1940 8.1241 121.5328 61.3221 35.5687 174.8114 72 G 4.1083 6.7901 112.7989 45.8010 0.0000 171.2297 73 V 4.7654 8.4347 119.3830 61.2042 34.4229 174.7411 74 H 5.0644 9.3405 130.0895 55.8541 31.4075 174.1210 75 N 4.2673 9.4955 127.7520 54.4731 34.6739 170.3152 *76 Y 3.7291 8.2495 113.6532 57.2845 35.4126 173.4705 77 K 4.5299 7.8006 122.6614 53.6744 35.4278 178.4416 78 R 4.7006 8.3556 121.6650 55.5756 30.1102 175.4189 79 W 6.0552 8.5915 116.1334 55.8009 32.2247 172.7664 80 C 5.0326 8.5355 113.5423 58.4529 32.1464 172.3581 81 D 4.0826 8.0099 115.9628 53.3806 44.1788 174.1009 82 V 5.0150 7.9915 123.0677 61.1402 34.8086 174.4907 83 V 4.5117 8.6482 126.9738 61.5821 34.0437 174.9283 84 T 4.6906 8.7838 123.9681 61.2125 71.4475 173.7192 85 G 4.0916 8.6837 108.0285 46.5583 0.0000 173.9410 86 L 4.4272 7.7857 117.5022 54.0586 42.5926 177.9476 87 K 4.3372 8.8845 121.2217 55.4159 32.8079 176.7713 88 P 4.2136 0.0000 0.0000 65.4199 31.3423 177.2020 89 D 4.6975 8.0241 114.8554 53.2040 40.1044 176.8908 90 E 4.4188 7.8507 122.8418 55.3894 28.2569 174.5168 91 T 4.2222 7.3240 112.9845 60.7265 70.6070 176.0505 92 A 4.1334 9.2611 123.2619 54.9327 17.8641 179.7552 93 L 4.1077 7.5994 116.3028 57.3722 41.7075 179.2982 94 V 3.9181 7.7751 120.3256 66.2749 31.8549 178.6061 95 I 4.1431 7.5903 120.6254 64.6905 35.4711 179.0034 96 N 4.7598 8.6179 119.8070 56.5073 38.6479 175.1323 97 P 3.7049 0.0000 0.0000 65.0306 31.4707 178.1859 98 Q 3.9936 7.8473 116.0702 57.9530 28.6562 177.2830 99 Y 3.9278 7.4007 115.9465 58.1467 38.2571 173.9503 100 Y 5.0852 7.3694 117.2011 56.1425 41.9899 174.2875 101 N 4.4837 9.7681 114.5859 55.5401 36.4593 174.0735 102 N 4.2510 8.5680 108.6408 54.4438 36.3217 175.6311 103 G 3.7112 8.2641 104.9494 45.7955 0.0000 173.7734 104 G 3.6297 6.6362 109.9419 45.5299 0.0000 175.2448 105 R 4.3979 8.5358 118.3727 55.3643 31.3085 176.9893 106 D 4.6622 8.0284 124.9628 57.4517 40.3136 178.6721 *107 Y 3.9087 7.7688 122.4737 62.7742 36.9665 182.0939 108 V 3.9132 7.1956 120.8260 65.9447 31.6856 180.3532 109 R 2.5725 7.5098 121.4234 59.3351 29.4576 178.9661 110 E 3.6930 7.5635 119.3036 61.1788 29.7385 181.2779 111 K 4.2818 7.6426 123.9072 58.2327 32.9568 181.1839 112 Q 3.6338 7.5271 115.4499 56.8306 25.7238 179.9569 113 L 4.2899 7.5511 121.2417 55.1265 43.1586 177.9011 114 A 4.7676 8.2150 122.4660 50.9574 20.3807 175.6351 115 E 5.5046 8.0329 112.2373 57.3109 31.5471 175.1762 116 Y 4.8293 8.3787 121.0324 57.0536 42.7384 173.0588 117 S 5.2413 7.4445 118.4623 56.3931 66.1603 172.6952 118 V 4.2370 7.5406 121.3155 61.3734 34.4086 171.7092 119 T 5.0441 8.2405 117.5445 61.4456 71.1338 174.5847 120 S 4.2839 9.0643 121.6898 57.8767 63.7104 175.2621 121 A 3.8209 8.7483 126.9025 56.1108 18.1582 179.8939 122 I 3.8217 7.6690 111.9651 61.5673 35.6637 179.8371 123 G 4.0278 8.9251 107.3303 46.3750 0.0000 172.8594 124 T 4.6002 8.0009 116.6160 61.5680 70.6014 173.6692 125 K 4.8922 9.2648 128.0622 54.9088 34.8748 175.1864 126 V 4.5076 8.4235 128.1686 61.7299 35.0295 174.4019 127 E 5.0722 8.8715 125.3119 54.6227 33.7396 171.6093 128 V 4.7264 8.9772 127.4658 60.8802 34.1084 175.3834 129 V 4.6986 8.4969 126.6477 59.7561 35.5027 170.8737 130 Y 4.8351 8.9823 124.9196 56.7191 37.3718 175.9536 131 T 4.1133 8.8755 118.2451 64.3503 70.1311 176.0900 132 V 4.4810 8.2733 121.1632 59.4181 33.0356 180.5250 133 A 4.5567 8.5995 128.3237 52.1106 19.2511 177.7263 134 E 4.6856 7.7983 111.6639 55.2120 33.9291 180.5382 135 G 3.8710 8.8536 105.2682 45.3520 0.0000 173.0950 136 N 4.3696 8.4455 115.2095 52.9266 39.7457 174.8758 137 N 5.6455 7.8263 118.5064 52.0941 38.8192 174.0532 138 L 5.3158 8.8665 123.9201 53.9804 43.2227 176.5777 139 E 5.3175 8.6695 119.8875 54.6611 34.1145 174.5190 140 A 4.9917 8.8202 122.0948 51.2673 23.3435 174.7812 141 N 5.4463 9.1838 117.3003 51.5014 41.7720 174.0542 142 V 4.4895 8.8672 123.7748 61.4224 33.4726 174.3695 143 I 5.0781 8.5777 129.1824 59.5061 40.1914 174.5476 144 F 5.0426 8.9667 125.7560 55.7158 42.1335 175.9122 145 S 4.3659 8.8137 116.5024 59.1440 63.0996 175.1260 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 3 M 8.29 4.57 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 4 S 8.58 4.52 0.00 4.19 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 5 Y 9.74 5.02 0.00 2.84 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 6 S 9.17 5.17 0.00 3.38 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 7 I 8.60 5.13 1.87 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 1.23 0.68 0.91 0.00 0.00 8 T 8.95 5.02 4.28 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 1.26 0.00 0.00 9 L 9.54 5.70 0.00 1.68 1.65 1.12 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.64 4.90 0.00 1.87 1.74 0.00 3.17 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 11 V 8.46 4.85 2.14 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 0.97 0.00 0.00 1.14 0.00 0.00 12 Y 9.72 4.64 0.00 2.94 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 13 Q 8.91 5.08 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.90 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 14 T 9.22 4.56 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 1.29 0.00 0.00 15 N 8.15 4.99 0.00 2.61 2.68 0.00 0.00 7.04 7.66 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 16 R 9.01 4.19 0.00 1.82 1.88 0.00 3.24 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 17 D 7.86 4.49 0.00 2.55 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 18 R 7.88 4.21 0.00 1.82 1.86 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 19 G 7.79 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 0.00 0.00 0.00 20 Y 8.17 4.83 0.00 3.04 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 21 F 8.67 4.79 0.00 2.00 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 22 S 8.90 4.76 0.00 3.68 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 23 I 8.28 3.78 1.59 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.03 0.51 0.00 0.00 24 V 8.66 4.31 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 0.61 0.00 0.00 0.92 0.00 0.00 25 E 7.40 4.68 0.00 1.92 1.63 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 0.00 2.14 2.20 0.00 26 K 8.53 4.77 0.00 1.35 0.86 0.00 0.85 0.00 0.00 1.16 0.00 0.00 2.60 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.51 0.99 7.81 27 T 9.00 4.91 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 1.28 0.00 0.00 28 V 8.30 5.01 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 0.82 0.00 0.00 0.99 0.00 0.00 29 W 9.39 4.66 0.00 3.33 2.85 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 0.00 0.00 0.00 30 H 6.60 4.55 0.00 3.02 3.01 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 6.95 4.66 0.00 3.26 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 32 A 9.44 3.99 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 33 N 8.97 4.24 0.00 2.92 2.96 0.00 0.00 7.14 7.65 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 34 G 8.07 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 35 G 7.88 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 0.00 0.00 0.00 0.00 36 T 7.80 4.87 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 1.22 0.00 0.00 37 W 8.78 5.35 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.56 4.97 0.00 3.85 3.96 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 39 E 8.47 5.24 0.00 1.97 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 2.14 2.27 0.00 40 A 9.47 4.31 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 41 N 10.01 4.19 0.00 2.85 2.72 0.00 0.00 6.78 7.51 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 42 G 8.50 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 A 8.29 4.98 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 44 H 9.46 5.44 0.00 3.22 3.50 0.00 5.57 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 9.22 5.11 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 1.19 0.00 0.00 46 L 8.60 4.21 0.00 0.27 0.96 -0.03 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.27 4.95 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 48 Q 9.80 5.05 0.00 1.86 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.17 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 49 G 8.45 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 50 G 8.22 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 51 S 8.43 4.12 0.00 3.66 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 0.00 52 G 8.99 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.67 5.01 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 1.29 0.00 0.00 54 S 8.45 4.86 0.00 3.77 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 55 G 8.46 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 0.00 0.00 0.00 0.00 56 V 9.12 5.25 2.20 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 1.04 0.00 0.00 1.06 0.00 0.00 57 L 8.67 4.70 0.00 1.55 0.80 0.79 -1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.35 4.99 0.00 1.83 1.66 0.00 3.10 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 59 F 9.79 5.20 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 5.36 0.00 1.64 1.42 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.41 4.95 0.00 2.76 2.63 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 0.00 0.00 0.00 0.00 62 T 8.45 4.03 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 1.26 0.00 0.00 63 K 7.96 4.34 0.00 1.71 1.79 0.00 1.93 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.23 7.81 64 G 7.58 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 65 E 7.27 4.40 0.00 2.08 1.76 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 2.60 2.43 0.00 66 R 8.64 5.35 0.00 2.00 1.86 0.00 3.15 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 67 I 9.13 5.46 2.13 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 1.43 1.23 1.02 0.00 0.00 68 T 8.81 5.32 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 69 V 9.12 4.81 2.31 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 0.97 0.00 0.00 0.99 0.00 0.00 70 A 9.17 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.12 4.19 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 0.98 0.00 0.00 0.84 0.00 0.00 72 G 6.79 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 73 V 8.43 4.77 1.72 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 0.40 0.00 0.00 0.50 0.00 0.00 74 H 9.34 5.06 0.00 3.08 3.13 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.50 4.27 0.00 2.91 2.71 0.00 0.00 6.81 7.55 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 *76 Y 8.25 3.73 0.00 2.46 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 77 K 7.80 4.53 0.00 1.58 1.65 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.25 7.81 78 R 8.36 4.70 0.00 1.38 1.65 0.00 2.51 0.00 0.00 2.98 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 79 W 8.59 6.06 0.00 3.39 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 80 C 8.54 5.03 0.00 2.97 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 81 D 8.01 4.08 0.00 2.96 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 82 V 7.99 5.02 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 0.86 0.00 0.00 1.04 0.00 0.00 83 V 8.65 4.51 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 0.97 0.00 0.00 1.02 0.00 0.00 84 T 8.78 4.69 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 85 G 8.68 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.79 4.43 0.00 1.82 1.66 1.03 0.77 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 87 K 8.88 4.34 0.00 1.93 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 88 P 0.00 4.21 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.72 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 89 D 8.02 4.70 0.00 2.79 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 90 E 7.85 4.42 0.00 1.95 2.21 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 2.27 2.24 0.00 91 T 7.32 4.22 4.50 0.00 0.00 0.00 0.00 0.00 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 92 A 9.26 4.13 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 4.11 0.00 1.71 1.81 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 V 7.78 3.92 2.27 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 0.80 0.00 0.00 1.00 0.00 0.00 95 I 7.59 4.14 1.87 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 1.50 0.97 0.91 0.00 0.00 96 N 8.62 4.76 0.00 3.02 3.08 0.00 0.00 7.32 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 97 P 0.00 3.70 0.00 2.29 2.38 0.00 3.80 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 2.49 2.56 0.00 98 Q 7.85 3.99 0.00 1.82 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 99 Y 7.40 3.93 0.00 2.85 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 0.00 0.00 0.00 0.00 100 Y 7.37 5.09 0.00 2.72 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 0.00 101 N 9.77 4.48 0.00 2.96 3.00 0.00 0.00 7.02 8.00 0.00 0.00 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 N 8.57 4.25 0.00 2.83 2.84 0.00 0.00 7.14 7.65 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 0.00 103 G 8.26 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 0.00 104 G 6.64 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.54 4.40 0.00 0.88 1.34 0.00 2.21 0.00 0.00 2.54 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.17 0.00 106 D 8.03 4.66 0.00 2.55 2.51 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 *107 Y 7.77 3.91 0.00 2.41 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 0.00 0.00 0.00 0.00 108 V 7.20 3.91 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 0.72 0.00 0.00 0.93 0.00 0.00 109 R 7.51 2.57 0.00 0.67 1.22 0.00 2.55 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 110 E 7.56 3.69 0.00 2.13 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 2.26 2.19 0.00 111 K 7.64 4.28 0.00 1.80 1.75 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.39 1.32 7.81 112 Q 7.53 3.63 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 113 L 7.55 4.29 0.00 1.86 1.95 1.09 0.97 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 0.00 114 A 8.22 4.77 1.26 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 0.00 0.00 115 E 8.03 5.50 0.00 1.98 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 2.10 2.19 0.00 116 Y 8.38 4.83 0.00 3.13 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 0.00 117 S 7.44 5.24 0.00 3.67 3.40 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 0.00 118 V 7.54 4.24 1.94 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 0.66 0.00 0.00 0.95 0.00 0.00 119 T 8.24 5.04 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 1.21 0.00 0.00 120 S 9.06 4.28 0.00 4.05 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.75 3.82 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 0.00 122 I 7.67 3.82 1.87 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 1.35 0.73 0.91 0.00 0.00 123 G 8.93 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 0.00 124 T 8.00 4.60 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 125 K 9.26 4.89 0.00 1.73 1.71 0.00 1.51 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.39 7.81 126 V 8.42 4.51 1.80 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 -0.06 0.00 0.00 0.48 0.00 0.00 127 E 8.87 5.07 0.00 1.63 1.74 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 2.12 2.08 0.00 128 V 8.98 4.73 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 0.74 0.00 0.00 0.87 0.00 0.00 129 V 8.50 4.70 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 0.71 0.00 0.00 0.93 0.00 0.00 130 Y 8.98 4.84 0.00 3.00 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 0.00 131 T 8.88 4.11 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 1.21 0.00 0.00 132 V 8.27 4.48 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 0.73 0.00 0.00 0.93 0.00 0.00 133 A 8.60 4.56 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 0.00 134 E 7.80 4.69 0.00 1.93 1.66 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 2.11 1.85 0.00 135 G 8.85 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 0.00 0.00 0.00 136 N 8.45 4.37 0.00 2.45 2.58 0.00 0.00 6.61 6.92 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 0.00 137 N 7.83 5.65 0.00 2.54 2.71 0.00 0.00 6.92 7.85 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 0.00 138 L 8.87 5.32 0.00 1.35 1.53 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.67 5.32 0.00 1.92 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 2.32 2.33 0.00 140 A 8.82 4.99 0.43 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 0.00 141 N 9.18 5.45 0.00 2.51 2.84 0.00 0.00 6.80 7.55 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 0.00 142 V 8.87 4.49 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 0.62 0.00 0.00 0.93 0.00 0.00 143 I 8.58 5.08 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.87 0.00 0.00 144 F 8.97 5.04 0.00 2.81 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 0.00 145 S 8.81 4.37 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 * Residues marked with a * may have inaccurate shift predictions.