NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9768 8.0932 114.8028 57.6852 64.5104 174.1591 2 L 3.9979 8.4723 121.3150 57.8287 40.7782 178.8067 3 L 4.0232 8.4828 119.6567 57.8906 41.8701 179.0344 4 E 4.1032 8.0262 118.0743 59.0844 29.4766 178.8851 5 F 4.6791 8.6938 121.1115 61.5068 39.5281 177.3969 6 G 3.5711 8.4428 105.5101 47.6587 0.0000 175.5762 7 K 4.0128 7.8861 121.3309 59.4255 32.2297 178.5986 8 M 4.0434 8.3122 118.6176 58.6406 32.1256 178.2542 9 I 3.5432 7.6731 119.8419 64.2413 37.2196 178.0291 10 L 4.2780 7.6735 122.3695 57.7394 41.6747 178.8889 11 E 3.9639 8.1358 117.2211 59.3721 29.4754 178.7507 12 E 4.1035 8.2684 118.5787 58.8442 29.9101 177.9618 13 T 4.4593 8.3662 107.3778 60.7741 70.5507 175.5919 14 G 3.7733 8.1090 109.9475 45.7567 0.0000 173.0341 *16 K 4.6168 7.4517 117.7078 55.9574 33.3464 175.0704 17 L 4.2127 8.1452 122.1691 54.1476 42.7660 177.6505 18 A 4.0451 8.9003 126.5502 54.9132 18.4458 177.2445 19 I 4.6965 7.6589 115.4483 59.3685 38.5993 173.6986 20 P 5.1668 0.0000 0.0000 61.9289 31.5916 176.5027 21 S 4.2913 7.8294 117.0895 61.0512 62.6808 174.8547 22 Y 4.7144 8.2795 115.3185 57.6266 38.4089 176.3285 23 S 4.8248 8.1732 115.8030 59.0174 64.5116 175.2882 24 S 4.7786 7.8373 115.8826 58.0698 63.4382 172.2281 25 Y 4.7752 8.0863 122.5848 58.3342 40.1895 175.0496 26 G 3.3436 8.0435 116.1575 47.1725 0.0000 173.9639 27 C 4.6441 9.7581 116.8703 57.2238 39.9483 174.7554 28 Y 4.3303 8.4988 115.8451 58.0920 39.7158 174.5948 29 C 4.7770 8.3377 117.8934 59.4199 39.7435 172.9402 30 G 4.0123 8.9604 113.7220 44.6839 0.0000 170.3894 31 W 4.1993 8.8381 130.7857 58.2196 30.5778 175.9905 32 G 4.2107 6.9023 122.1873 45.2203 0.0000 172.8712 33 G 4.2612 7.5627 117.2777 43.2326 0.0000 171.9675 34 S 4.5622 6.7496 110.5871 58.5902 65.7138 174.8196 35 G 4.1957 8.6359 108.8208 44.8368 0.0000 172.3125 36 T 4.4320 7.9481 114.6924 60.9938 69.7664 173.3753 37 P 4.6083 0.0000 0.0000 62.8022 31.9309 176.8476 38 K 3.8153 8.7209 122.2961 59.1591 32.2276 176.8041 39 D 4.4692 7.6344 116.2764 50.9149 43.0502 175.9097 40 A 3.9847 8.5440 121.0497 56.0409 18.0975 179.8903 41 T 4.0493 8.1075 113.3987 66.9594 68.5487 176.2853 42 D 4.6000 8.7944 119.9981 57.4194 41.1711 178.5239 43 R 3.9672 8.3244 118.9991 59.1568 30.0013 178.2334 44 C 4.2019 8.2776 116.5660 60.3523 39.0114 175.6036 45 C 4.3812 8.2186 117.7381 59.7567 40.9940 175.7769 46 F 3.6848 8.3885 122.4190 61.3119 38.8776 177.4047 47 V 3.3793 7.9938 117.8372 66.0753 31.3057 177.3731 48 H 3.8286 8.1461 117.9572 59.2300 29.6684 176.9157 49 D 4.1610 8.1597 120.9513 57.6087 40.4243 178.2330 50 C 4.0900 7.5548 115.7415 59.8350 34.5706 175.0443 51 C 4.2822 8.2334 120.5026 60.0058 44.2332 175.3192 52 Y 4.2727 7.9463 118.4038 61.0328 37.1712 178.8113 53 G 3.6309 7.9585 105.6697 47.3134 0.0000 174.6472 54 N 4.6395 7.7098 115.9983 53.6741 40.0168 175.0757 55 L 4.8117 7.5041 119.8587 52.6649 42.0038 174.7592 56 P 4.2280 0.0000 0.0000 65.7109 32.2884 178.2294 *59 D 4.8978 7.7632 116.1391 54.3784 42.5075 175.6319 *61 C 5.1948 7.7745 114.3616 57.2458 37.4352 173.0695 *67 N 4.9833 8.3996 117.2977 52.7682 38.2998 173.4979 68 P 4.1295 0.0000 0.0000 64.9233 32.1503 179.7144 69 K 4.1188 8.0698 118.9245 58.3572 32.2232 178.3380 70 S 4.5531 7.8385 110.5828 58.1236 64.6998 173.4183 71 D 4.5136 7.8627 121.6554 53.5249 41.1255 175.6073 72 R 4.5743 8.7061 125.7658 54.7951 31.1153 175.2304 73 Y 4.9611 7.7824 118.9662 55.0131 41.3017 174.4022 74 K 4.9688 8.6000 118.7283 54.8851 35.1519 175.0931 75 Y 5.5126 8.4012 120.6950 55.3706 41.4165 173.9190 76 K 4.6787 9.3635 119.7899 55.2354 36.8699 174.7659 77 R 5.5661 8.4654 118.8782 53.9688 32.2359 176.7643 78 V 4.0796 8.5104 124.9562 62.0059 31.6055 176.5559 79 N 4.3405 8.1077 127.9444 54.3302 36.7833 177.9557 80 G 3.7210 8.9704 116.5693 48.3889 0.0000 173.7995 81 A 4.0924 7.7137 123.6678 52.2112 18.9261 176.0801 82 I 4.7363 8.1898 122.7891 60.3847 38.4893 175.4098 83 V 4.4019 9.0245 127.6100 61.0964 34.0216 173.7835 84 C 4.8928 8.8747 126.0573 56.9040 40.6896 173.4674 85 E 4.5607 8.9433 123.8078 54.9330 30.7146 176.5705 86 K 4.0061 8.5573 123.3833 56.7576 33.4481 176.0265 *88 G 4.1846 8.2810 114.1253 45.4492 0.0000 172.5559 89 T 4.2571 8.4283 113.5258 60.9330 71.1317 175.7671 90 S 4.1052 8.5106 116.3048 61.8574 62.7964 177.2133 91 C 4.1985 8.1106 119.5559 59.8515 40.9175 175.7093 92 E 4.0062 8.0297 119.5677 59.5288 29.1494 179.3202 93 N 4.2756 8.2593 116.3653 56.5234 38.7434 177.7949 94 R 3.9397 7.9507 119.3860 58.9539 30.0902 179.2431 95 I 3.6340 8.1044 120.2566 64.4046 37.0500 177.4487 96 C 3.0502 7.6674 119.1867 59.4642 38.6788 175.5285 97 E 3.7691 7.8256 119.5704 59.4302 29.0490 178.7011 98 C 4.1763 7.9900 116.3606 60.1577 41.3745 175.9730 99 D 3.9926 8.0684 120.3884 56.9913 40.4133 178.6198 100 K 3.7662 8.2640 120.3207 59.4828 32.0897 178.5685 101 A 3.8821 7.8066 120.5245 55.1151 18.2414 179.4761 102 A 3.4424 7.7615 118.8044 55.0023 18.3788 179.7028 103 A 3.8910 8.0571 119.3429 55.3712 18.3961 179.9983 104 I 3.6255 7.7341 118.3049 64.4813 36.9281 177.7750 105 C 4.1539 7.9851 118.5724 59.6447 38.0930 175.2838 106 F 4.6301 8.0166 119.6768 60.8446 38.1813 177.6614 107 R 3.9497 8.0513 118.2291 59.5106 29.6465 178.3111 108 Q 4.1910 8.3270 118.4548 58.0187 29.3368 176.2713 109 N 5.0586 7.6641 115.8771 52.8644 39.5010 176.2736 110 L 4.1329 7.8493 121.1994 57.9161 41.7694 179.3781 111 N 4.4846 8.3158 114.7450 55.0689 37.1924 175.3740 112 T 4.5412 7.6541 106.6775 60.9433 69.2767 173.6558 113 Y 4.1202 8.0009 124.8800 58.3831 39.4093 174.9307 114 S 4.9110 8.6793 120.7805 56.1517 65.1121 174.8415 115 K 4.1960 8.7248 126.9429 58.4783 32.0594 178.9043 116 K 3.9541 7.3679 117.6383 58.9982 32.6509 177.2789 117 Y 4.4723 7.3642 116.5447 57.8801 38.1453 175.2649 118 M 4.4253 7.5350 120.7764 56.2217 32.5610 175.9055 119 L 3.7321 8.3595 120.6511 55.5035 40.0997 174.5157 120 Y 4.1365 8.2257 118.7500 57.0423 39.3382 173.9102 121 P 4.4859 0.0000 0.0000 62.2917 32.6193 176.8333 122 D 4.2225 8.7960 120.3794 57.2120 41.3626 177.9279 *124 F 4.8398 7.8508 111.8732 56.3917 39.5371 175.3446 125 L 3.7393 6.7327 119.6357 54.9620 41.5714 175.9804 126 C 4.6519 7.7821 117.5828 55.2822 34.9971 172.7698 127 K 4.5677 8.5551 125.8491 55.4846 34.9364 175.6117 128 G 4.1822 9.4303 110.8682 44.2514 0.0000 171.7561 129 E 5.0246 8.2564 116.5804 54.5453 33.5794 174.5198 130 L 4.6677 8.3793 122.1324 53.1694 45.1845 175.7421 131 K 4.3861 8.5034 125.0297 55.3959 33.5461 177.4420 *133 C 4.8296 8.6036 119.1687 57.4249 41.5317 173.6513 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 S 8.09 4.98 0.00 4.23 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 2 L 8.47 4.00 0.00 1.85 1.92 1.13 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.48 4.02 0.00 1.69 1.71 0.95 0.87 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 4 E 8.03 4.10 0.00 1.69 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 1.96 2.31 0.00 5 F 8.69 4.68 0.00 3.35 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 6 G 8.44 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.89 4.01 0.00 2.03 2.12 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 8 M 8.31 4.04 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 9 I 7.67 3.54 1.78 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.12 0.64 0.00 0.00 10 L 7.67 4.28 0.00 1.84 1.83 0.94 0.90 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 11 E 8.14 3.96 0.00 2.18 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 0.00 2.40 2.61 0.00 12 E 8.27 4.10 0.00 2.12 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 0.00 2.54 2.36 0.00 13 T 8.37 4.46 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 1.25 0.00 0.00 14 G 8.11 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 *16 K 7.45 4.62 0.00 1.87 1.65 0.00 1.54 0.00 0.00 0.95 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 17 L 8.15 4.21 0.00 1.74 1.66 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.90 4.05 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 19 I 7.66 4.70 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.95 0.00 0.00 20 P 0.00 5.17 0.00 2.19 2.14 0.00 3.37 0.00 0.00 4.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.83 4.29 0.00 3.75 3.27 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 22 Y 8.28 4.71 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.17 4.82 0.00 4.11 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 0.00 24 S 7.84 4.78 0.00 4.07 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 25 Y 8.09 4.78 0.00 3.21 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 26 G 8.04 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 0.00 0.00 0.00 27 C 9.76 4.64 0.00 2.86 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 28 Y 8.50 4.33 0.00 3.38 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 29 C 8.34 4.78 0.00 3.44 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.96 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 31 W 8.84 4.20 0.00 3.36 3.46 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 0.00 0.00 0.00 0.00 32 G 6.90 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 0.00 0.00 0.00 0.00 33 G 7.56 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 34 S 6.75 4.56 0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.64 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.95 4.43 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 1.13 0.00 0.00 37 P 0.00 4.61 0.00 1.90 1.96 0.00 3.44 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 38 K 8.72 3.82 0.00 0.79 0.74 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.99 0.21 7.81 39 D 7.63 4.47 0.00 2.85 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 40 A 8.54 3.98 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 41 T 8.11 4.05 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 42 D 8.79 4.60 0.00 2.97 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 43 R 8.32 3.97 0.00 2.07 1.96 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 44 C 8.28 4.20 0.00 3.34 2.77 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 45 C 8.22 4.38 0.00 3.39 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.39 3.68 0.00 2.55 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.38 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 0.88 0.00 0.00 1.04 0.00 0.00 48 H 8.15 3.83 0.00 3.12 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.16 4.16 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.55 4.09 0.00 2.82 2.91 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 51 C 8.23 4.28 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.95 4.27 0.00 3.06 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 53 G 7.96 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 54 N 7.71 4.64 0.00 2.87 2.84 0.00 0.00 6.78 7.44 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 55 L 7.50 4.81 0.00 1.59 1.52 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.23 0.00 2.16 2.09 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 *59 D 7.76 4.90 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 7.77 5.19 0.00 3.09 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 *67 N 8.40 4.98 0.00 2.74 2.79 0.00 0.00 7.37 8.03 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 68 P 0.00 4.13 0.00 0.69 1.28 0.00 3.53 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.00 69 K 8.07 4.12 0.00 1.86 1.95 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.65 1.48 7.81 70 S 7.84 4.55 0.00 3.95 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 71 D 7.86 4.51 0.00 2.76 2.69 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 0.00 0.00 0.00 0.00 72 R 8.71 4.57 0.00 1.82 1.77 0.00 3.23 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 73 Y 7.78 4.96 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.60 4.97 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.37 7.81 75 Y 8.40 5.51 0.00 3.09 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 76 K 9.36 4.68 0.00 1.79 1.91 0.00 1.27 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 77 R 8.47 5.57 0.00 1.73 2.07 0.00 3.68 0.00 0.00 3.91 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.49 0.00 78 V 8.51 4.08 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 1.03 0.00 0.00 0.95 0.00 0.00 79 N 8.11 4.34 0.00 2.94 2.02 0.00 0.00 7.15 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 80 G 8.97 3.72 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 0.00 0.00 0.00 81 A 7.71 4.09 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 82 I 8.19 4.74 1.85 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 1.24 0.63 0.81 0.00 0.00 83 V 9.02 4.40 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 1.11 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.89 0.00 2.88 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 85 E 8.94 4.56 0.00 2.01 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 2.37 2.33 0.00 86 K 8.56 4.01 0.00 1.79 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.45 7.81 *88 G 8.28 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.43 4.26 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 1.22 0.00 0.00 90 S 8.51 4.11 0.00 4.05 4.16 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 91 C 8.11 4.20 0.00 2.98 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 92 E 8.03 4.01 0.00 2.31 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 2.56 2.56 0.00 93 N 8.26 4.28 0.00 2.89 2.82 0.00 0.00 7.04 7.22 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 94 R 7.95 3.94 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 95 I 8.10 3.63 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.70 0.95 0.00 0.00 96 C 7.67 3.05 0.00 1.99 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 97 E 7.83 3.77 0.00 2.10 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 2.43 2.43 0.00 98 C 7.99 4.18 0.00 3.23 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 99 D 8.07 3.99 0.00 2.87 2.91 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 0.00 100 K 8.26 3.77 0.00 1.67 1.92 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.81 3.88 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 0.00 102 A 7.76 3.44 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.06 3.89 1.35 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 0.00 0.00 0.00 104 I 7.73 3.63 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.87 0.00 0.00 105 C 7.99 4.15 0.00 2.91 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 0.00 106 F 8.02 4.63 0.00 3.03 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 0.00 107 R 8.05 3.95 0.00 1.96 2.17 0.00 3.36 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 108 Q 8.33 4.19 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.66 5.06 0.00 2.85 2.86 0.00 0.00 6.85 8.09 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 0.00 110 L 7.85 4.13 0.00 1.79 1.76 0.92 0.50 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 0.00 111 N 8.32 4.48 0.00 2.87 3.00 0.00 0.00 5.83 7.71 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 0.00 112 T 7.65 4.54 4.33 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 1.27 0.00 0.00 113 Y 8.00 4.12 0.00 3.03 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 0.00 114 S 8.68 4.91 0.00 3.88 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 0.00 115 K 8.72 4.20 0.00 1.88 1.86 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.62 7.81 116 K 7.37 3.95 0.00 1.60 1.70 0.00 1.21 0.00 0.00 1.39 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.68 0.21 7.81 117 Y 7.36 4.47 0.00 1.97 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.54 4.43 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 119 L 8.36 3.73 0.00 1.85 1.77 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.23 4.14 0.00 3.03 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.49 0.00 2.51 2.22 0.00 2.77 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 122 D 8.80 4.22 0.00 2.81 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 *124 F 7.85 4.84 0.00 3.23 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 0.00 125 L 6.73 3.74 0.00 1.01 1.48 0.35 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.78 4.65 0.00 3.10 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 0.00 127 K 8.56 4.57 0.00 1.72 1.60 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 128 G 9.43 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.26 5.02 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 130 L 8.38 4.67 0.00 1.33 1.22 -0.20 0.37 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 0.00 131 K 8.50 4.39 0.00 1.89 1.74 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.48 7.81 *133 C 8.60 4.83 0.00 2.93 2.95 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.