NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3351 0.0000 0.0000 62.2128 33.5530 176.8182 3 K 3.8876 7.9173 119.6181 55.6520 32.4753 174.7530 4 L 4.2305 8.5268 126.4413 54.2467 43.8246 175.7738 5 D 4.7693 8.2284 120.9134 52.3495 41.5593 176.7440 6 L 4.1034 8.2753 127.8795 57.4998 41.9903 179.5482 7 D 4.4203 7.8839 117.6219 56.4882 40.9412 177.3555 8 S 4.3595 7.8916 112.5190 59.7973 62.8242 174.5507 9 I 3.8831 7.0475 120.7465 60.4329 37.3386 175.4542 10 E 3.8822 8.6746 125.8571 56.4829 29.8820 175.7895 11 R 4.4541 8.5062 126.9963 55.7898 31.0494 175.4011 12 R 4.7866 8.9979 126.3974 54.7976 32.5482 175.4607 13 I 4.6244 7.9240 114.9319 60.2266 41.4092 175.2088 14 G 3.8044 10.0661 109.2463 46.0083 0.0000 172.3646 15 S 4.4019 7.9582 111.0415 58.1481 65.0118 175.1178 16 V 4.1684 7.7993 113.0624 61.4199 31.4883 176.3310 17 Y 3.6473 7.1870 118.6908 57.0018 38.4242 173.9150 18 P 4.5309 0.0000 0.0000 62.8293 33.7535 176.7360 19 G 3.7142 8.4193 108.3914 46.4818 0.0000 176.8187 20 R 3.9896 8.8883 118.9511 58.3165 29.6617 179.0563 21 L 3.6432 7.8796 119.4536 57.1135 41.2341 178.2016 22 N 4.2162 7.6493 116.7691 57.0404 38.8808 176.1772 23 A 4.3522 7.4398 118.8597 53.4221 18.8573 179.3121 24 A 4.1054 8.1892 123.2009 51.4253 17.4477 177.4348 *26 D 4.3025 8.0755 119.2523 56.8469 42.2840 176.6670 27 G 3.9541 9.0583 112.0748 44.7298 0.0000 172.1195 28 R 5.1426 7.6245 120.3490 54.9229 31.3138 175.3161 29 S 5.1431 8.9271 120.2055 57.0328 67.2537 172.6966 30 S 5.0726 8.7832 113.4294 57.2689 66.8432 172.7932 31 L 4.8288 8.8210 121.3678 53.1900 44.4264 176.7474 32 R 5.1466 8.4187 124.9352 54.5114 28.9327 177.0368 33 L 4.1189 8.7683 124.4576 57.3423 41.8735 179.0903 34 G 3.5608 8.0088 105.2637 47.8595 0.0000 175.3459 35 D 4.2888 8.0327 120.8758 57.0569 40.7307 178.3598 36 A 4.1205 7.7789 120.0904 54.7138 18.3669 178.9149 37 G 3.9426 7.6898 100.6409 44.0812 0.0000 174.2699 38 G 3.8340 7.8591 108.5544 46.0044 0.0000 173.6460 39 L 4.4355 7.8760 119.2102 53.1584 42.8508 176.9373 40 S 4.5566 8.1120 113.6280 58.1267 64.9709 174.8746 41 Q 4.4889 7.7101 119.3244 57.1542 29.9367 175.4226 42 F 5.4204 7.2106 111.8031 55.3096 41.2589 174.1976 43 G 4.1719 9.6037 107.8359 45.2613 0.0000 172.9427 44 V 5.1295 8.3252 121.4630 61.0198 34.6678 173.7831 45 N 5.5039 9.2712 125.2732 51.3260 42.4011 173.2649 46 L 4.5762 8.5503 125.4964 53.7155 43.7917 175.0125 47 V 4.5440 8.1824 127.3232 60.8542 34.1449 174.0592 48 R 5.0110 9.2157 128.2815 54.4794 32.7610 174.1650 49 L 5.2305 9.1600 126.6328 52.8125 44.2479 176.3007 50 E 4.5405 9.3997 124.3202 55.1973 31.1062 175.0093 51 P 4.4394 0.0000 0.0000 64.4744 31.7303 176.5130 52 G 4.0410 9.3166 111.7574 45.3553 0.0000 173.7311 53 A 4.4996 7.9349 121.1505 51.7225 19.7235 176.5569 54 K 5.2750 8.3642 117.4367 55.0629 35.4087 176.7618 55 S 4.7034 9.3949 116.9325 60.9186 63.6816 173.9948 56 S 4.9901 7.6148 113.1513 57.9056 64.6516 176.9970 57 L 4.1405 8.8527 121.0728 54.1747 42.0019 177.4444 58 R 4.3002 8.5606 123.0894 57.4971 31.0636 174.8829 59 H 5.2610 8.5763 120.0678 55.0947 32.5471 171.8342 60 Y 4.9353 8.2155 116.0781 56.0103 41.7733 175.2948 61 H 5.0063 8.6381 117.8849 54.9870 31.3447 174.8021 *63 E 4.5183 8.5605 117.5342 56.5367 31.6460 176.3113 64 Q 4.7261 7.8785 118.2582 53.7766 30.7787 175.9765 65 D 4.8662 8.7196 123.3651 54.8654 42.5469 174.8398 66 E 5.2833 8.8857 120.3126 55.0232 33.7719 173.6886 67 F 5.1849 9.6320 127.9033 56.7418 43.4757 173.6122 68 V 5.3832 7.1300 123.4290 60.1635 35.8741 173.4668 *70 V 4.1751 8.1669 119.2994 63.3201 31.9761 176.1094 71 T 4.5434 8.8621 117.4741 62.6702 70.7274 174.4572 72 E 4.5279 7.8675 121.1293 55.7200 33.5038 176.8390 73 G 4.1763 8.8351 113.3730 44.5636 0.0000 171.8914 74 A 4.8510 8.3781 119.0895 50.1944 21.6313 175.9056 75 L 4.9674 8.5595 119.9397 52.9287 46.9444 175.2086 76 V 4.6771 8.6260 119.9125 61.1509 34.0930 173.9824 77 L 4.1361 9.1289 130.9064 53.8722 43.5184 175.1064 78 V 4.6462 8.3171 127.8165 61.5550 33.3518 174.5599 79 D 5.7731 8.7979 127.2383 51.1980 42.0549 174.9538 80 D 4.4246 9.6506 118.1615 58.2934 40.7769 178.5545 81 Q 4.2498 8.2468 115.0276 56.2423 29.8955 176.2913 82 G 3.9226 8.4025 104.4605 44.1274 0.0000 172.4610 83 E 4.9052 8.3571 122.4055 54.9809 31.6066 175.4117 84 H 4.9097 8.9659 121.3717 53.2946 32.1755 172.1340 85 P 4.8922 0.0000 0.0000 61.9201 32.9605 175.5179 *87 V 3.9242 8.1173 111.8377 60.3940 32.5918 173.1995 88 P 4.5713 0.0000 0.0000 64.5039 31.3579 177.0443 89 G 4.0636 9.3293 112.3054 45.4063 0.0000 173.8029 90 D 4.5351 7.8177 119.5117 54.4825 41.3530 175.5050 91 C 4.8856 8.3285 119.0766 57.8759 32.1212 173.1957 92 A 4.5472 8.1883 122.6490 50.0405 22.4895 174.8674 93 A 4.6012 7.9055 121.0932 50.0014 22.2162 176.2275 94 F 4.8139 8.8944 120.4692 54.6386 41.6008 172.5666 95 P 4.8618 0.0000 0.0000 61.8485 32.6538 175.9971 96 A 4.3564 9.0255 127.3510 54.1595 18.6715 177.5811 97 G 4.0880 9.3858 112.3706 45.3799 0.0000 173.1244 98 D 4.2726 7.6336 118.7189 53.7304 41.4355 175.3790 99 P 2.9700 0.0000 0.0000 61.9284 30.1333 177.6206 100 N 4.8712 6.5690 115.3053 50.8990 40.1213 173.3375 101 G 4.4966 8.5239 113.1119 45.9992 0.0000 170.0868 102 H 5.9061 9.0616 118.4354 52.7651 32.3121 172.1499 103 Q 4.9005 8.1540 116.5199 55.2458 32.4194 172.6924 104 F 5.0768 9.2351 118.7293 55.6329 42.0863 174.8067 105 V 4.7283 8.8422 123.0072 61.1224 34.8342 174.0374 106 N 4.9437 9.3225 127.4831 52.7233 38.9911 174.8000 107 R 4.4325 8.5110 123.8738 55.9877 30.5358 176.7531 108 T 4.4214 8.0108 109.7765 60.7782 70.5027 174.1732 109 D 4.6672 8.5185 118.6891 54.2420 41.2575 176.2299 110 A 4.8919 7.3772 120.7742 49.1524 21.3308 175.3204 111 P 4.6738 0.0000 0.0000 63.0209 32.3716 175.7180 112 A 5.0009 9.0342 122.8457 50.6636 22.9749 175.2337 113 T 5.2830 8.9171 116.0085 61.7862 72.9758 173.2029 114 F 5.1757 8.8788 118.8808 55.1131 42.1682 172.9373 115 L 4.9985 8.5871 122.4990 53.8841 43.8198 175.2378 116 V 5.1244 9.0686 126.2124 59.9546 34.2371 174.5170 117 V 4.9710 9.5007 125.0521 61.0877 34.3168 174.4943 118 G 4.5741 9.1468 113.7658 44.5693 0.0000 172.0432 119 T 4.5105 8.4496 120.9054 63.8180 69.3149 173.9906 120 R 4.6323 8.5809 125.2434 55.3275 31.0326 176.2367 121 T 4.7743 8.3556 113.2897 58.7286 72.1471 172.1386 122 P 4.3980 0.0000 0.0000 65.3868 31.5350 176.0871 123 T 5.0708 7.5104 106.2510 59.8414 72.0771 172.9696 124 E 4.8992 8.7639 121.9911 55.4113 33.7295 173.7547 125 T 4.9760 8.3968 120.3785 61.5531 71.8426 173.0089 126 A 4.4515 8.2680 127.5471 50.1137 21.4979 174.9328 127 Y 4.2767 7.4270 120.0006 56.5427 40.2922 174.3472 128 Y 4.8247 8.3950 120.9147 56.9552 39.0161 176.2312 129 S 4.3944 9.3822 121.0069 60.9568 63.3525 175.4089 130 D 4.5439 8.0312 117.8186 54.1617 40.5595 175.7751 *132 D 4.2397 7.8835 119.4640 53.9008 41.2418 174.1849 *135 V 3.9387 7.8419 125.5272 61.3065 33.2678 174.3920 136 K 4.9258 8.3440 122.1514 54.6475 35.1511 174.9546 137 Q 5.1419 9.1089 125.2526 54.9793 32.8316 174.4968 138 D 5.1846 8.9734 120.8966 53.5945 41.9000 174.3950 139 A 4.1492 8.8383 121.1177 55.9172 18.6125 179.2049 140 S 4.2557 8.4323 109.1077 59.7075 63.5085 175.1109 141 G 3.8074 7.1819 108.1620 45.1665 0.0000 170.5886 142 F 5.5184 7.4719 115.3594 55.1840 41.9060 174.8776 143 A 4.5529 8.5890 120.9865 50.7935 22.2497 175.2713 144 F 4.9375 9.1680 122.3957 57.2169 40.0043 175.5184 145 T 4.7263 8.3489 112.1202 59.9411 72.0935 173.0896 146 R 4.5391 8.6545 120.5567 55.1186 30.5546 178.3469 147 K 4.1698 9.2489 119.3305 58.9154 32.0222 177.9671 148 D 4.6719 8.1956 117.2350 52.7758 39.5032 177.7004 149 G 4.0166 8.3796 108.7213 46.3571 0.0000 174.6093 150 S 4.4364 8.5624 115.1035 56.9148 63.9421 172.0449 151 P 4.6597 0.0000 0.0000 62.1414 31.6945 176.8040 152 L 4.2622 8.4173 121.9213 55.2609 42.2806 177.4719 153 T 4.5287 8.3857 112.4758 59.9346 72.1616 175.7369 154 A 4.2206 8.3159 124.2868 55.0211 18.0722 179.6385 155 D 4.2912 8.0887 115.5306 57.3437 40.8965 178.6873 156 Q 4.2441 7.5888 117.9235 57.7996 29.3429 176.9389 157 I 4.2828 8.0626 110.6983 59.9923 38.1122 175.7886 158 G 3.9948 8.4359 116.7230 46.1244 0.0000 173.5802 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 P 0.00 4.34 0.00 2.06 2.18 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 3 K 7.92 3.89 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 L 8.53 4.23 0.00 1.67 1.57 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.23 4.77 0.00 2.64 2.54 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 6 L 8.28 4.10 0.00 1.79 1.69 0.92 1.08 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 7 D 7.88 4.42 0.00 2.75 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 8 S 7.89 4.36 0.00 3.86 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 9 I 7.05 3.88 1.86 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 1.17 0.80 0.90 0.00 0.00 10 E 8.67 3.88 0.00 1.92 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 2.28 2.30 0.00 11 R 8.51 4.45 0.00 1.85 1.81 0.00 3.26 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 12 R 9.00 4.79 0.00 1.76 1.79 0.00 3.10 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 13 I 7.92 4.62 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 1.28 0.66 0.91 0.00 0.00 14 G 10.07 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.96 4.40 0.00 3.69 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 16 V 7.80 4.17 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 0.61 0.00 0.00 0.53 0.00 0.00 17 Y 7.19 3.65 0.00 2.85 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.53 0.00 2.14 2.09 0.00 3.38 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 19 G 8.42 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 20 R 8.89 3.99 0.00 1.96 2.17 0.00 2.73 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 21 L 7.88 3.64 0.00 1.65 1.36 0.62 0.34 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 22 N 7.65 4.22 0.00 2.85 2.89 0.00 0.00 7.17 7.82 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 23 A 7.44 4.35 1.28 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 24 A 8.19 4.11 1.21 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 *26 D 8.08 4.30 0.00 2.72 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 27 G 9.06 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.62 5.14 0.00 2.02 1.90 0.00 3.36 0.00 0.00 3.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 29 S 8.93 5.14 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 30 S 8.78 5.07 0.00 3.80 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 31 L 8.82 4.83 0.00 1.52 1.56 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.42 5.15 0.00 1.84 1.87 0.00 3.39 0.00 0.00 3.47 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.55 0.00 33 L 8.77 4.12 0.00 1.85 1.72 0.92 0.76 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 34 G 8.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.29 0.00 2.68 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 36 A 7.78 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.69 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.86 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 39 L 7.88 4.44 0.00 1.43 1.09 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.11 4.56 0.00 3.87 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 41 Q 7.71 4.49 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 42 F 7.21 5.42 0.00 3.12 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 43 G 9.60 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 0.00 0.00 0.00 0.00 44 V 8.33 5.13 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 1.09 0.00 0.00 1.23 0.00 0.00 45 N 9.27 5.50 0.00 2.62 2.59 0.00 0.00 6.11 7.24 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 46 L 8.55 4.58 0.00 1.73 1.47 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.18 4.54 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.63 0.00 0.00 48 R 9.22 5.01 0.00 1.81 1.71 0.00 3.08 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 49 L 9.16 5.23 0.00 1.69 1.65 1.14 1.14 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 50 E 9.40 4.54 0.00 1.86 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 2.54 2.46 0.00 51 P 0.00 4.44 0.00 2.05 2.20 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 52 G 9.32 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 53 A 7.93 4.50 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 54 K 8.36 5.27 0.00 1.80 1.90 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.45 7.81 55 S 9.39 4.70 0.00 4.27 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 0.00 56 S 7.61 4.99 0.00 4.14 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.85 4.14 0.00 1.58 1.57 0.19 0.46 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 58 R 8.56 4.30 0.00 1.90 1.86 0.00 3.40 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 59 H 8.58 5.26 0.00 2.74 3.13 0.00 5.26 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.22 4.94 0.00 2.99 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 61 H 8.64 5.01 0.00 3.39 3.53 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 E 8.56 4.52 0.00 2.09 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 2.25 2.38 0.00 64 Q 7.88 4.73 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 65 D 8.72 4.87 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.89 5.28 0.00 2.13 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 2.47 2.56 0.00 67 F 9.63 5.18 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.13 5.38 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 0.42 0.00 0.00 1.12 0.00 0.00 *70 V 8.17 4.18 2.28 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 1.03 0.00 0.00 0.87 0.00 0.00 71 T 8.86 4.54 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 1.24 0.00 0.00 72 E 7.87 4.53 0.00 2.03 1.78 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 2.28 2.33 0.00 73 G 8.84 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 74 A 8.38 4.85 1.21 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 75 L 8.56 4.97 0.00 1.70 1.73 0.90 0.90 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 76 V 8.63 4.68 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 1.01 0.00 0.00 0.94 0.00 0.00 77 L 9.13 4.14 0.00 1.46 1.59 0.36 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.32 4.65 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 0.87 0.00 0.00 0.86 0.00 0.00 79 D 8.80 5.77 0.00 3.14 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 9.65 4.42 0.00 2.72 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 81 Q 8.25 4.25 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 82 G 8.40 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 83 E 8.36 4.91 0.00 1.78 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 2.16 2.25 0.00 84 H 8.97 4.91 0.00 2.99 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.89 0.00 2.09 2.12 0.00 3.43 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 *87 V 8.12 3.92 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 0.75 0.00 0.00 1.03 0.00 0.00 88 P 0.00 4.57 0.00 2.05 2.20 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 89 G 9.33 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 0.00 0.00 0.00 90 D 7.82 4.54 0.00 2.87 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 91 C 8.33 4.89 0.00 2.86 2.40 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 92 A 8.19 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.91 4.60 1.13 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 0.00 0.00 94 F 8.89 4.81 0.00 2.96 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 95 P 0.00 4.86 0.00 2.12 2.00 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 96 A 9.03 4.36 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.39 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 98 D 7.63 4.27 0.00 2.70 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 99 P 0.00 2.97 0.00 1.76 1.61 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 100 N 6.57 4.87 0.00 2.57 2.84 0.00 0.00 7.31 7.98 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 0.00 101 G 8.52 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 0.00 0.00 0.00 0.00 102 H 9.06 5.91 0.00 2.56 2.97 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 8.15 4.90 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 104 F 9.24 5.08 0.00 2.78 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 0.00 105 V 8.84 4.73 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 0.97 0.00 0.00 0.94 0.00 0.00 106 N 9.32 4.94 0.00 2.96 2.90 0.00 0.00 6.82 8.05 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 0.00 107 R 8.51 4.43 0.00 1.85 1.94 0.00 3.25 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 108 T 8.01 4.42 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 1.24 0.00 0.00 109 D 8.52 4.67 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.38 4.89 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 0.00 111 P 0.00 4.67 0.00 1.96 2.02 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 112 A 9.03 5.00 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 0.00 113 T 8.92 5.28 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 1.15 0.00 0.00 114 F 8.88 5.18 0.00 2.77 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 0.00 115 L 8.59 5.00 0.00 1.83 1.68 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 116 V 9.07 5.12 2.49 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 0.78 0.00 0.00 1.15 0.00 0.00 117 V 9.50 4.97 2.15 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 0.93 0.00 0.00 1.00 0.00 0.00 118 G 9.15 4.57 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 0.00 119 T 8.45 4.51 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 120 R 8.58 4.63 0.00 1.81 1.88 0.00 3.28 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 121 T 8.36 4.77 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 1.25 0.00 0.00 122 P 0.00 4.40 0.00 2.24 2.36 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 123 T 7.51 5.07 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 0.00 124 E 8.76 4.90 0.00 2.10 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 2.24 2.27 0.00 125 T 8.40 4.98 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 0.55 0.00 0.00 126 A 8.27 4.45 0.71 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 0.00 127 Y 7.43 4.28 0.00 2.00 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 0.00 128 Y 8.39 4.82 0.00 3.01 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 0.00 129 S 9.38 4.39 0.00 3.93 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 0.00 130 D 8.03 4.54 0.00 2.67 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 *132 D 7.88 4.24 0.00 2.82 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 *135 V 7.84 3.94 1.09 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 0.61 0.00 0.00 0.23 0.00 0.00 136 K 8.34 4.93 0.00 1.67 1.65 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.23 7.81 137 Q 9.11 5.14 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.39 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 138 D 8.97 5.18 0.00 2.73 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 0.00 139 A 8.84 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.43 4.26 0.00 3.97 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 0.00 141 G 7.18 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 0.00 0.00 0.00 142 F 7.47 5.52 0.00 2.88 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 0.00 143 A 8.59 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 9.17 4.94 0.00 2.98 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 0.00 145 T 8.35 4.73 4.61 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 1.25 0.00 0.00 146 R 8.65 4.54 0.00 2.10 2.25 0.00 3.30 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 147 K 9.25 4.17 0.00 1.89 2.02 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.79 1.55 7.81 148 D 8.20 4.67 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.38 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 0.00 0.00 0.00 0.00 150 S 8.56 4.44 0.00 3.99 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 0.00 151 P 0.00 4.66 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 152 L 8.42 4.26 0.00 1.65 1.61 0.96 0.88 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 0.00 153 T 8.39 4.53 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 1.27 0.00 0.00 154 A 8.32 4.22 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 0.00 155 D 8.09 4.29 0.00 2.63 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 0.00 156 Q 7.59 4.24 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 157 I 8.06 4.28 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.83 0.00 0.00 158 G 8.44 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.