NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 5.1045 7.7674 119.4553 56.4500 30.5296 173.9262 2 G 3.9668 8.2444 106.3528 44.6925 0.0000 166.7492 3 V 4.6913 9.1562 122.9388 60.9697 34.5198 173.2789 4 N 4.7607 8.2922 123.4684 51.8678 42.4021 173.7215 5 I 4.7311 8.0652 124.4457 60.4928 39.1688 174.3961 6 Y 4.8179 8.8537 121.1911 56.7411 43.2400 174.1194 7 N 5.0827 8.8616 116.5902 52.0474 41.9022 174.5545 8 I 4.4827 9.2109 126.8886 59.4579 39.2932 175.8129 9 S 4.9145 8.4351 123.8671 57.7291 64.1577 174.3309 10 A 3.9641 8.9598 127.4719 54.0376 18.4476 178.1962 11 G 3.9184 9.2292 111.4149 45.1888 0.0000 172.3930 12 T 4.9609 7.9271 109.4453 59.8479 72.9460 172.3184 13 S 5.3033 8.5174 115.0424 57.0181 66.7925 173.4915 14 V 4.5815 9.2912 113.2537 59.6282 35.6684 174.8338 15 D 4.9598 8.7165 124.4976 53.6983 41.5486 176.2786 16 L 4.2727 8.5993 124.5962 54.5372 41.8643 177.4439 17 A 4.0718 9.4320 127.0841 54.4212 18.5906 177.8258 18 A 4.7471 7.7946 117.8991 49.3160 21.0584 174.1905 19 P 4.6124 0.0000 0.0000 62.9482 32.7751 175.9397 20 V 4.3318 9.0709 122.2121 62.3299 33.1357 174.6140 21 T 5.1276 9.7103 124.8133 60.4566 71.4060 172.3300 22 T 4.2666 8.4936 117.1821 65.7482 68.6817 175.0643 23 G 4.0544 9.9690 115.8429 45.2623 0.0000 172.4912 24 D 5.1963 8.1083 119.4374 52.7428 43.6283 175.6397 25 I 4.6608 8.4743 121.7902 59.8597 40.9056 175.2241 26 V 4.8355 7.8908 122.6423 60.9714 35.0609 173.3525 27 T 4.7577 8.4862 121.2523 61.6131 72.0467 172.9201 28 F 5.0147 8.9043 125.1627 56.1400 41.4038 174.8395 29 F 5.0447 9.2830 121.7283 55.8050 41.5029 174.5377 30 S 4.5083 9.1422 119.1389 56.5352 64.6631 174.9886 31 S 4.5817 9.1472 123.2495 61.2212 62.8986 177.0233 32 A 4.4482 7.7485 120.8705 51.4569 17.3652 176.8208 33 L 4.3218 8.2852 119.0015 55.2278 45.8586 175.7725 *44 N 4.7296 8.6521 120.7640 53.4228 40.8394 173.8032 45 T 5.0807 7.7525 111.0277 64.5708 73.7426 172.5079 46 T 5.2005 8.4032 114.0668 60.2582 72.8216 172.5914 47 L 5.1666 8.9952 122.9776 53.1397 45.1922 175.3209 48 N 5.3282 9.3397 119.0250 51.5369 43.6358 173.6681 49 L 4.7302 8.4696 122.2951 53.3106 43.6285 175.3797 50 F 5.1878 9.3792 123.5950 56.0844 41.3171 176.0603 51 A 4.7358 8.8637 124.6313 50.7644 20.5178 178.4061 52 E 3.8706 8.9553 118.5722 59.9109 29.4694 178.8905 53 N 4.5659 8.1727 112.3503 53.0476 37.0192 175.4846 54 G 3.7384 8.0700 104.8922 46.5043 0.0000 174.2661 55 A 4.4284 7.7619 122.8018 51.6927 19.4832 177.4263 56 Y 4.3184 8.9587 119.7375 56.9097 37.5501 176.5173 57 L 4.2088 8.6234 124.9574 57.1754 42.6351 177.8513 58 L 4.5739 7.7627 120.0672 53.5181 45.7067 174.1139 59 H 5.2725 9.1511 126.2204 53.7482 32.2317 172.2912 60 I 4.0900 8.3164 127.9303 59.5912 38.7538 174.8817 61 A 4.8452 8.2515 129.7775 49.9695 21.3932 174.9291 62 F 4.3532 9.5622 123.0653 56.7617 40.4320 175.7806 63 R 4.4765 8.4509 125.0351 54.5319 31.1544 177.6275 64 L 4.0525 8.6238 124.4833 57.7872 42.0365 179.5877 65 Q 4.0073 8.0589 118.0259 58.0792 28.9958 176.6257 66 E 4.4235 7.9443 114.2043 55.8373 31.3829 175.0798 67 N 4.9577 8.8208 116.6799 51.6774 36.5583 173.3500 68 V 4.5531 7.4230 115.4731 61.3739 35.7724 173.1086 69 I 4.6047 9.5245 123.0096 59.5329 40.0950 174.5601 70 I 4.7854 8.3673 127.3734 59.3951 40.2469 174.5634 71 F 5.5341 9.1885 124.3652 54.8618 42.5222 173.8454 72 N 5.4987 8.5099 120.1730 53.2610 43.0246 172.5092 73 S 5.5025 9.0452 114.9381 57.1309 67.8666 173.4646 74 R 4.5477 8.4687 121.8530 54.5600 33.4313 175.0444 75 Q 4.5513 8.5595 124.7438 54.4055 29.9186 175.0722 76 P 4.2669 0.0000 0.0000 65.9051 30.7496 176.7744 77 D 4.7280 7.9969 113.9426 53.0980 42.0490 174.9255 78 G 3.9709 7.4036 107.8613 42.9009 0.0000 171.9617 79 P 4.4595 0.0000 0.0000 61.5385 32.2282 176.2035 80 W 4.0442 8.4669 119.7148 57.6655 29.6532 176.3229 81 L 4.8077 8.3940 123.0939 53.8977 44.0971 177.0828 82 V 3.8001 8.5783 121.0998 63.8701 30.7620 176.5293 83 E 4.3647 8.7748 128.0698 56.5642 30.6276 175.5877 84 Q 4.8136 9.6443 125.0652 54.2691 31.5802 174.7258 85 R 5.2097 8.7507 122.5120 54.4833 33.1409 175.6612 86 V 4.5952 8.8066 122.0784 60.9543 35.2143 174.9931 87 S 4.7981 8.7181 121.8547 57.7139 63.6379 174.8760 88 D 4.4683 8.8198 122.6095 56.7527 40.8468 178.8682 89 V 3.1139 7.7665 117.8028 64.9271 31.4849 175.2545 90 A 4.5040 7.8626 122.6229 50.1208 19.6051 175.7239 *93 G 3.8460 8.0948 113.0647 44.2364 0.0000 171.8538 94 A 4.3233 8.4019 126.9331 52.6970 26.3000 177.3950 95 G 3.8417 8.3638 99.1089 43.8936 0.0000 171.9666 96 I 3.6129 8.0768 117.5611 63.0455 38.7909 178.7044 97 D 4.9573 7.9350 117.6355 53.6117 39.4359 177.9428 98 G 4.0691 9.0958 104.6576 44.8709 0.0000 172.7117 99 K 4.9621 7.8465 117.3997 54.8818 35.4493 175.5975 100 A 4.1529 8.9099 126.3572 52.8930 20.0327 176.4326 101 M 4.7430 8.5505 118.3056 53.5536 34.7713 174.9608 102 V 4.2915 8.3372 125.0340 62.1636 32.4765 174.6290 103 T 4.9013 8.9912 125.6675 61.9765 71.2967 174.4387 104 V 4.8580 8.7903 124.1680 61.4172 35.0599 174.0050 105 F 4.8257 9.3616 127.8438 56.4614 40.8029 174.8967 106 D 4.7933 9.4084 124.8033 53.3928 41.2421 175.3898 107 H 4.8132 8.9443 122.8677 55.6515 28.0664 176.3510 108 G 4.4480 7.8834 113.7835 44.3955 0.0000 174.2920 109 D 4.6831 7.6406 118.1450 53.1143 41.6920 175.6252 110 K 5.0367 7.7145 117.7617 55.2519 37.7152 174.3949 111 Y 5.4345 9.2970 119.0170 56.5981 40.8920 174.7894 112 Q 4.8843 8.9833 126.6304 54.9137 30.9256 174.2831 113 V 4.8234 8.5469 127.2514 61.3525 33.8467 174.4290 114 V 4.7035 9.1166 129.1596 61.3279 33.6254 174.8173 115 I 4.6300 8.5447 130.7776 59.9362 37.5851 176.1665 116 N 4.4210 9.5483 129.4659 54.8759 36.8248 177.4678 117 E 4.2758 8.9190 125.9972 57.8673 30.2998 175.6244 118 K 4.3697 7.6741 121.8993 54.9804 32.9473 175.7261 119 T 4.4356 8.5441 124.0127 63.6554 68.9430 174.4407 120 V 4.3928 8.4155 125.3523 62.1357 33.7539 175.8105 121 I 4.0876 7.3663 119.1608 60.1060 41.0958 173.3582 122 Q 5.0336 8.4429 128.4512 54.2948 28.1761 172.5167 123 Y 4.0982 8.7212 122.5225 57.2237 40.1821 174.5863 124 T 4.3409 8.1334 124.7398 63.0620 68.9424 174.7068 125 K 4.0992 8.2721 126.3140 57.5609 32.2568 177.0823 126 Q 4.4977 9.1473 120.8942 56.0130 30.5174 175.9785 127 I 4.3905 7.4774 118.5100 60.0320 39.9734 174.8660 128 S 4.3647 8.4220 122.0247 57.9867 63.6083 172.6358 129 G 4.2803 8.1373 106.4228 43.2866 0.0000 173.1496 130 L 4.5260 8.0127 122.0768 54.3542 42.1206 176.4272 131 T 4.4418 8.6846 119.9174 63.6102 69.2421 174.8691 132 S 4.8489 8.8153 119.7792 57.8908 64.9588 173.3676 133 S 5.1061 7.7508 114.4754 57.3660 65.8324 172.5752 134 L 5.5930 9.1330 125.9099 53.1334 45.6598 175.6540 135 S 5.2023 9.1722 115.6318 57.0797 67.3043 172.1576 136 Y 5.2569 8.9250 121.9502 56.0922 41.7942 173.3306 137 N 5.0839 8.8509 125.2654 50.2168 41.9478 174.8939 138 A 4.3905 7.9686 129.8380 51.9128 17.7534 180.2176 139 T 3.3735 8.7682 114.2067 66.4111 66.1734 172.1728 *147 T 4.5395 8.0044 115.7885 61.3342 70.0164 173.5751 148 V 5.0443 7.7979 119.8719 60.8996 34.4437 175.0242 149 V 4.4867 8.5375 127.2099 59.9897 34.1085 174.7097 150 E 5.2614 8.6198 122.0356 55.0273 32.5334 174.7317 151 A 5.1327 8.5902 122.1141 50.3149 23.2907 175.2508 152 V 4.9202 8.5983 120.2964 61.2292 34.7757 174.2466 153 T 4.9271 9.0343 118.6926 60.1958 71.3058 172.7526 154 Y 4.9189 8.8181 124.8236 56.7253 39.5156 174.8792 155 T 5.0330 7.8521 113.9760 59.0402 72.9945 174.2568 156 G 4.1461 8.9384 107.5314 46.6766 0.0000 175.2084 157 L 4.1074 8.3070 121.6561 56.7336 42.0166 177.6961 158 A 4.5005 7.7892 121.0725 51.2910 20.4843 176.1625 159 L 4.7355 7.9817 126.6195 53.8690 40.9776 177.1242 160 E 4.1505 9.0259 127.6462 57.5267 29.5853 176.2862 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 Q 7.77 5.10 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 2 G 8.24 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 3 V 9.16 4.69 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 0.53 0.00 0.00 0.85 0.00 0.00 4 N 8.29 4.76 0.00 2.62 2.41 0.00 0.00 6.89 7.25 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 5 I 8.07 4.73 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.28 0.85 0.00 0.00 6 Y 8.85 4.82 0.00 2.96 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 7 N 8.86 5.08 0.00 2.56 2.76 0.00 0.00 6.77 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 8 I 9.21 4.48 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.80 1.14 0.00 0.00 9 S 8.44 4.91 0.00 3.89 3.85 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 10 A 8.96 3.96 1.16 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 0.00 0.00 11 G 9.23 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 12 T 7.93 4.96 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 1.24 0.00 0.00 13 S 8.52 5.30 0.00 4.00 3.88 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 0.00 0.00 0.00 14 V 9.29 4.58 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 0.85 0.00 0.00 0.68 0.00 0.00 15 D 8.72 4.96 0.00 2.58 2.62 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 16 L 8.60 4.27 0.00 1.51 1.78 0.87 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 A 9.43 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 18 A 7.79 4.75 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 19 P 0.00 4.61 0.00 2.12 2.09 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 20 V 9.07 4.33 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 0.96 0.00 0.00 0.92 0.00 0.00 21 T 9.71 5.13 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 1.32 0.00 0.00 22 T 8.49 4.27 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 23 G 9.97 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 24 D 8.11 5.20 0.00 2.92 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.47 4.66 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.71 0.47 0.00 0.00 26 V 7.89 4.84 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 0.65 0.00 0.00 0.34 0.00 0.00 27 T 8.49 4.76 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 0.50 0.00 0.00 28 F 8.90 5.01 0.00 2.86 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 29 F 9.28 5.04 0.00 3.18 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 30 S 9.14 4.51 0.00 3.62 3.52 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 31 S 9.15 4.58 0.00 3.92 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 32 A 7.75 4.45 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 33 L 8.29 4.32 0.00 1.58 1.38 0.23 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *44 N 8.65 4.73 0.00 2.73 2.87 0.00 0.00 6.95 7.70 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 45 T 7.75 5.08 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 1.37 0.00 0.00 46 T 8.40 5.20 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 1.17 0.00 0.00 47 L 9.00 5.17 0.00 1.20 0.61 0.36 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.34 5.33 0.00 2.34 1.90 0.00 0.00 6.75 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.47 4.73 0.00 1.43 1.51 0.55 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.38 5.19 0.00 3.05 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 51 A 8.86 4.74 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.96 3.87 0.00 1.99 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 0.00 2.33 2.27 0.00 53 N 8.17 4.57 0.00 2.82 2.91 0.00 0.00 6.02 7.00 0.00 0.00 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 8.07 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 55 A 7.76 4.43 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 56 Y 8.96 4.32 0.00 2.75 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 57 L 8.62 4.21 0.00 1.86 2.06 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.76 4.57 0.00 1.29 0.98 0.62 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.15 5.27 0.00 3.63 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.32 4.09 1.67 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 1.11 0.33 0.24 0.00 0.00 61 A 8.25 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.56 4.35 0.00 2.97 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 63 R 8.45 4.48 0.00 1.84 1.82 0.00 3.01 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 64 L 8.62 4.05 0.00 1.71 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.06 4.01 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 66 E 7.94 4.42 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 67 N 8.82 4.96 0.00 2.83 2.82 0.00 0.00 6.81 8.08 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 68 V 7.42 4.55 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 0.56 0.00 0.00 0.94 0.00 0.00 69 I 9.52 4.60 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.72 -0.15 0.00 0.00 70 I 8.37 4.79 1.54 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 1.04 0.91 0.69 0.00 0.00 71 F 9.19 5.53 0.00 3.13 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 72 N 8.51 5.50 0.00 2.58 2.62 0.00 0.00 6.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 9.05 5.50 0.00 4.01 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 74 R 8.47 4.55 0.00 0.67 0.73 0.00 2.80 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.55 0.00 75 Q 8.56 4.55 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 76 P 0.00 4.27 0.00 2.17 2.41 0.00 3.71 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 2.00 0.00 77 D 8.00 4.73 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.40 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 79 P 0.00 4.46 0.00 2.22 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 80 W 8.47 4.04 0.00 3.21 3.17 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 81 L 8.39 4.81 0.00 1.92 1.70 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.58 3.80 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 0.74 0.00 0.00 0.95 0.00 0.00 83 E 8.77 4.36 0.00 1.99 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 2.30 2.32 0.00 84 Q 9.64 4.81 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.52 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 85 R 8.75 5.21 0.00 1.67 1.80 0.00 3.18 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 86 V 8.81 4.60 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 1.06 0.00 0.00 1.10 0.00 0.00 87 S 8.72 4.80 0.00 4.05 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 88 D 8.82 4.47 0.00 2.74 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 89 V 7.77 3.11 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 0.79 0.00 0.00 0.94 0.00 0.00 90 A 7.86 4.50 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 *93 G 8.09 3.85 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 0.00 0.00 0.00 94 A 8.40 4.32 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 95 G 8.36 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 96 I 8.08 3.61 2.03 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 1.15 0.00 0.00 97 D 7.93 4.96 0.00 2.78 1.77 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 98 G 9.10 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 99 K 7.85 4.96 0.00 1.90 1.80 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.63 7.81 100 A 8.91 4.15 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 0.00 101 M 8.55 4.74 0.00 1.84 1.99 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 2.67 2.16 0.00 102 V 8.34 4.29 2.18 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 1.17 0.00 0.00 1.05 0.00 0.00 103 T 8.99 4.90 4.17 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 0.71 0.00 0.00 104 V 8.79 4.86 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 0.85 0.00 0.00 1.01 0.00 0.00 105 F 9.36 4.83 0.00 2.83 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 0.00 106 D 9.41 4.79 0.00 2.94 2.88 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 0.00 0.00 0.00 107 H 8.94 4.81 0.00 3.41 3.27 0.00 5.74 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 0.00 108 G 7.88 4.45 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 0.00 109 D 7.64 4.68 0.00 2.72 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 0.00 110 K 7.71 5.04 0.00 1.72 1.82 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 111 Y 9.30 5.43 0.00 2.99 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 0.00 112 Q 8.98 4.88 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 113 V 8.55 4.82 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.03 0.00 0.00 114 V 9.12 4.70 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 0.96 0.00 0.00 1.26 0.00 0.00 115 I 8.54 4.63 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 1.04 0.00 0.00 116 N 9.55 4.42 0.00 2.87 2.34 0.00 0.00 7.01 5.12 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 0.00 117 E 8.92 4.28 0.00 1.99 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 2.31 2.32 0.00 118 K 7.67 4.37 0.00 1.79 1.72 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 119 T 8.54 4.44 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 0.00 120 V 8.42 4.39 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 0.85 0.00 0.00 1.02 0.00 0.00 121 I 7.37 4.09 1.29 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.06 0.00 0.00 122 Q 8.44 5.03 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 123 Y 8.72 4.10 0.00 2.88 3.02 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 0.00 0.00 0.00 124 T 8.13 4.34 4.02 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 0.00 0.00 1.11 0.00 0.00 125 K 8.27 4.10 0.00 1.69 1.77 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.03 1.21 7.81 126 Q 9.15 4.50 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 127 I 7.48 4.39 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.52 1.02 0.00 0.00 128 S 8.42 4.36 0.00 3.87 3.83 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 0.00 129 G 8.14 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 0.00 0.00 0.00 0.00 130 L 8.01 4.53 0.00 1.98 1.72 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.68 4.44 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 1.31 0.00 0.00 132 S 8.82 4.85 0.00 3.83 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 0.00 133 S 7.75 5.11 0.00 3.88 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 0.00 134 L 9.13 5.59 0.00 1.52 1.63 0.53 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 135 S 9.17 5.20 0.00 4.17 4.31 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 0.00 136 Y 8.92 5.26 0.00 3.02 2.88 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 0.00 0.00 0.00 137 N 8.85 5.08 0.00 2.72 2.51 0.00 0.00 6.67 7.29 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 0.00 138 A 7.97 4.39 0.97 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 0.00 139 T 8.77 3.37 4.51 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 1.22 0.00 0.00 *147 T 8.00 4.54 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 1.25 0.00 0.00 148 V 7.80 5.04 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 0.92 0.00 0.00 0.99 0.00 0.00 149 V 8.54 4.49 1.14 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 0.23 0.00 0.00 0.83 0.00 0.00 150 E 8.62 5.26 0.00 2.13 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 0.00 2.24 2.31 0.00 151 A 8.59 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.60 4.92 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 0.60 0.00 0.00 1.05 0.00 0.00 153 T 9.03 4.93 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 1.11 0.00 0.00 154 Y 8.82 4.92 0.00 2.98 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 0.00 155 T 7.85 5.03 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 1.30 0.00 0.00 156 G 8.94 4.15 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 0.00 0.00 0.00 157 L 8.31 4.11 0.00 1.90 1.80 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.79 4.50 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 0.00 159 L 7.98 4.74 0.00 1.66 0.77 0.94 0.97 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 0.00 160 E 9.03 4.15 0.00 2.06 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 2.28 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.