NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.8945 8.2687 116.7696 63.5544 70.8670 175.6933 12 A 3.8140 8.1795 124.0222 54.7227 18.7494 175.3682 13 E 4.1841 8.9601 116.3037 59.2942 31.1636 177.1380 14 D 4.4012 8.3109 118.7702 57.3492 40.6558 178.1605 15 I 4.1657 7.7033 109.7650 61.5618 37.3322 176.4091 16 Q 4.4621 7.8170 122.6617 57.4647 30.3362 177.3724 17 E 3.8462 7.8817 119.8024 59.2348 29.4483 179.2568 18 R 3.8800 7.9191 117.4924 59.6613 30.2527 178.6135 19 R 4.1415 7.9200 112.3934 57.1800 30.4848 177.2978 20 Q 4.3991 7.4786 119.6482 57.4963 30.3108 177.1705 21 Q 3.9114 8.3057 120.8974 59.1248 29.1449 178.3758 22 V 3.5638 7.7107 119.1686 66.0798 31.4581 177.7145 23 L 4.0864 7.9218 117.8536 57.9174 41.8065 178.0997 24 D 4.3393 7.6011 117.0685 57.2453 41.7567 177.7369 25 R 4.0546 7.8700 117.9197 58.4029 29.9379 177.2619 26 Y 4.4909 8.4178 119.3654 59.3956 38.6439 175.8176 27 H 4.6776 7.3408 113.4012 54.1671 30.8009 172.9989 28 R 4.2762 8.3374 122.0348 56.3224 32.7228 176.1830 29 F 4.9644 7.6117 114.6765 55.3702 42.9601 174.8501 30 K 3.9813 9.0690 126.4973 59.4291 31.8314 178.9221 31 E 4.0318 8.2809 117.4385 59.6756 29.4202 179.2071 32 L 4.0221 7.8207 119.8784 57.4291 41.7612 179.4072 33 S 4.0744 7.9003 112.8346 61.4510 62.4290 176.0956 34 T 3.8610 8.2572 118.8950 66.7064 68.2661 176.3497 35 L 3.9999 8.2218 121.1662 57.9641 41.7587 179.8056 36 R 3.9185 7.8520 117.4994 59.4435 30.0626 179.3896 37 R 4.1020 7.9555 114.9593 58.8426 29.5701 178.4152 38 Q 3.9811 8.2008 120.9043 59.0443 28.5945 178.1103 39 K 3.9821 8.1173 120.7047 59.3984 32.0678 178.9081 40 L 4.0356 7.8362 119.0218 57.6796 41.5528 179.2826 41 E 4.2118 8.6814 118.9662 59.6784 29.4870 178.9707 42 D 4.5702 8.3652 118.9164 57.6500 40.8714 179.3089 43 S 4.4221 7.8724 114.2886 62.0267 62.8734 176.3694 44 Y 4.2589 7.7366 119.4482 60.8643 37.7509 178.3088 45 R 4.2766 8.7828 119.7310 59.3155 30.1168 178.8477 46 F 4.3531 8.5551 120.4405 61.3628 39.4059 176.8419 47 Q 3.7154 8.1707 119.1948 59.1699 28.7563 178.4824 48 F 4.2443 8.2076 118.6374 60.4839 38.9850 177.1956 49 F 4.0705 8.2456 119.9733 61.5880 39.1647 177.1256 50 Q 3.7947 8.1475 117.5193 59.1164 28.3543 179.2392 51 R 3.8937 7.8691 118.9551 59.2257 30.0543 178.9329 52 D 4.2515 8.2227 118.6877 57.0705 40.7697 178.6219 53 A 3.7234 7.9201 121.7839 55.0351 18.2281 179.3504 54 E 3.9189 8.1729 117.8541 59.0702 29.6252 178.7062 55 E 3.8999 7.8541 119.7275 59.2598 29.7089 178.6403 56 L 4.0222 7.9109 120.4082 57.9054 42.1838 178.3900 57 E 3.9688 8.6168 119.8860 59.2456 29.5707 178.8020 58 K 4.0016 8.4118 119.9226 59.2648 32.0145 178.6353 59 W 4.1348 8.3923 128.7675 60.4939 30.6597 178.1183 60 I 3.7399 8.4186 120.0679 64.5269 36.6946 178.4939 61 Q 4.0260 8.0559 118.4623 58.9452 28.4235 178.5534 62 E 3.9655 7.9934 119.1902 59.0586 29.3178 179.6402 63 K 3.8606 7.3121 118.4868 59.2427 31.9592 179.2838 64 L 3.9662 7.6664 118.0806 57.6839 41.5289 179.2664 65 Q 4.0451 7.6795 118.2308 59.3495 29.3179 177.8123 66 I 3.8236 7.5255 120.3885 64.2476 36.8446 178.1715 67 A 4.0353 7.7466 116.4132 51.8252 19.0668 178.1938 68 S 4.4864 7.8048 112.5991 59.3249 64.4252 174.6085 69 D 4.5345 7.7852 120.6158 51.7085 41.8780 176.5611 70 E 4.5371 8.3107 119.0532 55.5535 31.0769 175.7613 71 N 4.4441 8.2131 125.2423 52.9637 38.5118 172.4387 *72 Y 4.3959 7.5365 127.1447 55.2976 36.7182 177.6559 73 K 4.7093 8.0847 130.0768 53.0480 35.3487 175.4980 74 D 4.7275 8.4202 112.8307 55.7542 40.3538 171.9289 75 P 3.9568 0.0000 0.0000 66.7012 31.9609 175.8994 76 T 4.2556 7.4209 117.6189 62.9705 69.9895 175.3494 77 N 4.7219 8.3161 122.8551 51.8197 40.1348 175.9965 78 L 3.9178 8.2720 120.9355 58.3279 42.0760 178.3613 79 Q 4.0503 8.1234 119.1513 59.1998 29.0368 178.4548 80 G 3.5854 8.6102 106.8585 47.7363 0.0000 175.9539 81 K 4.0309 8.1907 121.0222 59.1426 32.0383 179.5276 82 L 4.0307 8.1587 119.4694 57.5955 41.4883 179.2820 83 Q 3.9641 8.1185 119.5874 59.2810 29.1236 178.5223 84 K 4.0118 8.1875 119.4817 59.7907 31.9792 178.8428 85 H 4.2445 8.3604 118.5679 59.1901 29.7873 177.3976 86 Q 4.0318 8.3457 119.8836 58.6660 28.4557 178.4240 87 A 4.0515 8.1466 122.1551 54.8505 18.3874 179.3616 88 F 3.9710 8.1147 119.0537 61.6690 39.5279 177.1143 89 E 3.9218 8.5718 118.0295 59.3385 29.2480 179.3889 90 A 3.9824 7.9795 120.6734 55.1640 18.2868 179.3011 91 E 3.9195 8.0601 116.5297 59.3316 30.1540 178.7872 92 V 4.1355 7.5740 118.2150 66.4577 31.6657 178.0955 93 Q 4.1737 8.3293 117.4534 58.8810 28.3100 178.5470 94 A 4.1759 8.0759 120.7226 53.8812 18.6196 177.5101 95 N 4.6242 7.7379 114.7095 53.2869 38.6225 176.1693 96 S 4.0882 8.0829 112.9983 60.4619 63.0973 176.0148 97 G 3.6057 7.8660 108.8529 46.6051 0.0000 175.4021 98 A 3.7484 7.4421 123.5529 55.3176 18.3690 179.4392 99 I 3.5975 7.0095 116.0098 63.3426 38.1680 178.0135 100 V 3.5017 6.7751 116.3067 65.9253 31.3590 178.1696 101 K 4.0120 7.9216 118.2404 59.2457 31.8385 179.4641 102 L 4.1005 7.5469 118.2273 57.7398 41.4395 179.0459 103 D 4.4266 8.1000 118.9625 57.4128 40.7006 178.6028 104 E 3.9143 8.0775 119.2935 59.6347 29.5346 179.0782 105 T 4.0162 8.1368 115.9163 66.5821 68.5854 177.1990 106 G 3.2754 8.8072 108.0199 47.7961 0.0000 175.6484 107 N 4.4048 8.5427 119.2060 55.5103 38.3036 177.4191 108 L 3.9529 7.7126 121.9682 58.2914 42.2177 178.7836 109 M 4.0225 7.6620 118.7046 58.4283 31.8784 178.7999 110 I 3.7427 7.8414 121.4345 63.7951 37.0937 178.6198 111 S 4.2246 7.9589 113.4685 60.7261 62.8878 174.9249 112 E 4.1655 7.7066 120.8227 56.6996 29.7701 177.0153 113 G 3.8286 7.8821 106.7352 45.7135 0.0000 173.1781 114 H 4.0537 8.0887 119.0699 55.7817 30.2531 176.2772 115 F 4.1645 8.2485 119.7614 59.3627 37.9914 175.5628 116 A 4.3905 6.7311 122.8959 51.8779 19.0445 178.6583 117 S 3.9725 7.7691 118.1915 63.5357 62.7446 176.7763 118 E 4.0039 7.9709 120.2013 59.7709 29.3917 179.1720 119 T 3.9192 7.8962 115.2200 66.8438 68.5305 176.5365 120 I 3.7420 7.8994 121.6047 64.3123 37.1842 178.4217 121 R 3.8923 8.2285 119.8915 59.8608 30.0131 178.7440 122 T 3.9433 8.1697 115.6558 66.5774 68.4446 176.8165 123 R 4.0065 8.3153 120.7573 59.2672 30.1616 178.4465 124 L 4.1081 8.2512 118.8999 58.1194 41.7280 179.2517 125 M 4.1062 8.0036 118.3019 58.7065 32.0778 178.5996 126 E 4.0535 8.2119 118.8951 59.0517 29.7794 178.8077 127 L 4.0615 8.1636 119.2754 58.1799 41.7009 179.1620 128 H 4.3030 8.4094 116.1535 58.7745 28.4812 177.8501 129 R 3.9750 8.1087 120.4392 59.7296 29.9657 178.7036 130 Q 4.0860 8.1993 117.6446 58.5589 28.7013 178.3836 131 W 4.2575 8.5309 129.6723 60.3446 30.7364 177.7612 132 E 3.9935 8.6996 119.8602 58.6894 29.0411 178.2059 133 L 4.2591 7.7841 119.1452 57.1420 40.9595 178.7501 134 L 3.8481 7.7706 122.0858 58.0611 42.0328 178.6629 135 L 3.7549 7.3846 118.8503 57.7431 41.5677 178.8288 136 E 3.8758 8.0100 118.9988 59.5384 29.4886 178.8508 137 K 3.8656 8.3576 118.5453 59.7626 32.1162 178.9855 138 M 4.0385 8.1383 118.2256 58.8056 32.2524 178.3854 139 R 3.9896 8.1553 118.7213 59.1590 30.1753 178.4010 140 E 3.9123 8.1338 118.7535 59.2262 29.2714 179.1193 141 K 3.9606 8.0835 118.7308 59.2128 32.5514 178.7435 142 G 3.5388 7.9628 105.9899 47.9119 0.0000 175.6957 143 I 3.7058 7.6685 122.8926 63.8301 37.2721 178.4917 144 K 3.9535 8.1715 120.2570 59.2357 31.7043 178.5714 145 L 4.1696 7.3826 117.7650 56.8623 41.6947 178.0885 146 L 4.1446 7.5501 117.7404 56.5743 42.0553 176.9911 147 Q 4.1564 7.3987 121.1229 56.4431 28.6921 176.6700 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 11 T 8.27 4.89 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 12 A 8.18 3.81 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 13 E 8.96 4.18 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 14 D 8.31 4.40 0.00 2.85 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 15 I 7.70 4.17 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.52 0.93 0.00 0.00 16 Q 7.82 4.46 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 17 E 7.88 3.85 0.00 2.14 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 2.50 2.49 0.00 18 R 7.92 3.88 0.00 1.86 1.97 0.00 3.12 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 19 R 7.92 4.14 0.00 1.78 1.94 0.00 3.14 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 20 Q 7.48 4.40 0.00 1.99 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 21 Q 8.31 3.91 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 22 V 7.71 3.56 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 0.96 0.00 0.00 0.94 0.00 0.00 23 L 7.92 4.09 0.00 1.71 1.88 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.60 4.34 0.00 2.96 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 25 R 7.87 4.05 0.00 1.93 1.91 0.00 3.17 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 26 Y 8.42 4.49 0.00 3.00 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 27 H 7.34 4.68 0.00 3.27 3.09 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.34 4.28 0.00 1.61 1.62 0.00 3.17 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.65 0.00 29 F 7.61 4.96 0.00 3.03 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 30 K 9.07 3.98 0.00 1.83 1.87 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.54 7.81 31 E 8.28 4.03 0.00 2.13 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 0.00 2.34 2.28 0.00 32 L 7.82 4.02 0.00 1.86 1.78 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.90 4.07 0.00 3.78 3.81 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 34 T 8.26 3.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 35 L 8.22 4.00 0.00 1.82 1.72 0.91 0.85 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 36 R 7.85 3.92 0.00 2.07 1.98 0.00 3.12 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 37 R 7.96 4.10 0.00 2.13 2.23 0.00 2.82 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 0.00 38 Q 8.20 3.98 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 39 K 8.12 3.98 0.00 1.95 2.08 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.38 7.81 40 L 7.84 4.04 0.00 2.05 1.88 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.68 4.21 0.00 2.08 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 2.46 2.69 0.00 42 D 8.37 4.57 0.00 3.03 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 43 S 7.87 4.42 0.00 3.77 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.74 4.26 0.00 3.10 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 45 R 8.78 4.28 0.00 2.22 2.12 0.00 3.22 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 46 F 8.56 4.35 0.00 3.06 3.33 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 47 Q 8.17 3.72 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 48 F 8.21 4.24 0.00 3.36 3.03 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 49 F 8.25 4.07 0.00 3.22 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 50 Q 8.15 3.79 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 51 R 7.87 3.89 0.00 1.99 1.96 0.00 3.01 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 52 D 8.22 4.25 0.00 2.82 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 53 A 7.92 3.72 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 54 E 8.17 3.92 0.00 2.00 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 2.30 2.30 0.00 55 E 7.85 3.90 0.00 2.09 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 0.00 2.27 2.31 0.00 56 L 7.91 4.02 0.00 1.70 1.57 0.91 0.52 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 57 E 8.62 3.97 0.00 2.28 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 0.00 2.34 2.36 0.00 58 K 8.41 4.00 0.00 1.98 2.06 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 59 W 8.39 4.13 0.00 3.53 3.34 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 60 I 8.42 3.74 2.04 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.46 1.03 0.00 0.00 61 Q 8.06 4.03 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 62 E 7.99 3.97 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 63 K 7.31 3.86 0.00 1.55 1.55 0.00 1.06 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.21 7.81 64 L 7.67 3.97 0.00 1.74 1.72 0.93 0.69 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 65 Q 7.68 4.05 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 66 I 7.53 3.82 2.07 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 1.44 0.70 0.90 0.00 0.00 67 A 7.75 4.04 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 68 S 7.80 4.49 0.00 3.70 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 69 D 7.79 4.53 0.00 2.72 2.33 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 70 E 8.31 4.54 0.00 1.90 1.87 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 2.20 2.25 0.00 71 N 8.21 4.44 0.00 2.74 2.58 0.00 0.00 6.65 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 *72 Y 7.54 4.40 0.00 2.30 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 73 K 8.08 4.71 0.00 1.74 1.62 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 0.96 7.81 74 D 8.42 4.73 0.00 2.68 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 75 P 0.00 3.96 0.00 2.01 2.06 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 76 T 7.42 4.26 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 1.20 0.00 0.00 77 N 8.32 4.72 0.00 2.99 2.96 0.00 0.00 5.77 6.67 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 78 L 8.27 3.92 0.00 1.77 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.12 4.05 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 80 G 8.61 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.19 4.03 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.66 7.81 82 L 8.16 4.03 0.00 1.89 1.73 0.92 0.59 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 83 Q 8.12 3.96 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 84 K 8.19 4.01 0.00 2.02 1.86 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.68 7.81 85 H 8.36 4.24 0.00 3.24 3.31 0.00 5.78 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 86 Q 8.35 4.03 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 87 A 8.15 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.11 3.97 0.00 3.21 3.12 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 0.00 0.00 0.00 89 E 8.57 3.92 0.00 2.08 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 2.42 2.47 0.00 90 A 7.98 3.98 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.06 3.92 0.00 2.01 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 0.00 2.67 2.47 0.00 92 V 7.57 4.14 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 0.75 0.00 0.00 0.34 0.00 0.00 93 Q 8.33 4.17 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 94 A 8.08 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.74 4.62 0.00 2.63 2.49 0.00 0.00 6.77 6.83 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 96 S 8.08 4.09 0.00 4.25 4.49 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 0.00 0.00 0.00 0.00 97 G 7.87 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 3.75 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 99 I 7.01 3.60 1.25 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.05 0.19 0.00 0.00 100 V 6.78 3.50 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 0.93 0.00 0.00 0.87 0.00 0.00 101 K 7.92 4.01 0.00 1.77 1.78 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.54 7.81 102 L 7.55 4.10 0.00 1.78 1.73 0.76 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.10 4.43 0.00 2.90 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 0.00 104 E 8.08 3.91 0.00 2.06 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 2.30 2.34 0.00 105 T 8.14 4.02 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 1.34 0.00 0.00 106 G 8.81 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.54 4.40 0.00 2.87 2.86 0.00 0.00 6.68 6.52 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 0.00 108 L 7.71 3.95 0.00 1.82 1.78 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 M 7.66 4.02 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 110 I 7.84 3.74 1.93 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 1.10 1.28 0.87 0.00 0.00 111 S 7.96 4.22 0.00 4.02 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 0.00 112 E 7.71 4.17 0.00 2.09 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 2.30 2.37 0.00 113 G 7.88 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 0.00 0.00 0.00 114 H 8.09 4.05 0.00 3.16 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.25 4.16 0.00 3.03 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 0.00 116 A 6.73 4.39 0.16 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 0.00 117 S 7.77 3.97 0.00 3.84 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 0.00 118 E 7.97 4.00 0.00 2.00 1.99 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 2.39 2.38 0.00 119 T 7.90 3.92 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 1.46 0.00 0.00 120 I 7.90 3.74 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.73 0.44 0.00 0.00 121 R 8.23 3.89 0.00 1.90 2.06 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 122 T 8.17 3.94 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 123 R 8.32 4.01 0.00 2.20 2.18 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 124 L 8.25 4.11 0.00 1.98 1.83 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 125 M 8.00 4.11 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 126 E 8.21 4.05 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 127 L 8.16 4.06 0.00 1.94 1.67 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.41 4.30 0.00 3.42 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.11 3.98 0.00 1.98 2.18 0.00 3.13 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 130 Q 8.20 4.09 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 131 W 8.53 4.26 0.00 3.55 3.33 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 0.00 132 E 8.70 3.99 0.00 2.45 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 2.37 2.39 0.00 133 L 7.78 4.26 0.00 1.89 1.90 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.77 3.85 0.00 1.70 1.61 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.38 3.75 0.00 1.77 1.57 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.01 3.88 0.00 2.25 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 0.00 2.30 2.40 0.00 137 K 8.36 3.87 0.00 1.84 1.82 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.58 7.81 138 M 8.14 4.04 0.00 2.37 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 139 R 8.16 3.99 0.00 1.94 2.03 0.00 3.15 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 140 E 8.13 3.91 0.00 2.24 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 0.00 2.31 2.47 0.00 141 K 8.08 3.96 0.00 1.63 1.77 0.00 1.78 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 142 G 7.96 3.54 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 0.00 0.00 0.00 143 I 7.67 3.71 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.89 0.00 0.00 144 K 8.17 3.95 0.00 1.92 1.93 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.59 7.81 145 L 7.38 4.17 0.00 1.76 1.65 0.79 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.55 4.14 0.00 1.80 1.71 0.90 0.90 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 0.00 147 Q 7.40 4.16 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.