NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.7492 0.0000 0.0000 62.4108 33.6201 175.7881 8 L 5.9617 8.4875 121.3776 50.9328 44.5794 176.4072 9 R 3.8907 8.4706 119.4231 59.6470 30.9437 178.5793 10 E 4.1261 8.2464 113.9096 58.5671 29.4337 177.3158 11 Q 4.2915 8.0851 117.2659 55.9932 29.3010 174.9360 12 Y 4.6027 8.0732 118.2188 56.6978 40.9222 176.1438 13 L 4.4479 8.4169 122.3812 55.3880 42.3882 175.5951 14 H 5.0871 7.7929 116.5479 54.4154 33.3391 172.5558 15 F 5.2075 8.3522 121.4565 55.8503 42.7883 174.2337 16 Q 4.5780 8.5018 122.4591 54.2193 32.3126 172.0123 17 P 4.7842 0.0000 0.0000 62.4568 32.1489 175.9218 18 I 4.5500 8.2640 123.3309 59.2502 40.4378 175.1443 19 S 4.5233 8.6376 120.4228 57.8911 63.5244 174.3014 20 T 4.4479 8.4260 114.2041 61.5593 69.8820 173.5223 21 R 4.7024 9.8561 122.3421 53.7603 33.3362 176.8115 22 W 2.7929 8.3739 129.8468 60.6447 30.4172 177.0586 23 H 4.5762 8.0506 113.4431 56.2638 29.8722 175.0336 24 D 4.4392 7.8510 119.3894 58.0984 40.8578 177.0081 25 N 4.7059 7.3280 114.5483 53.1708 39.1499 174.8065 26 D 4.6672 8.6531 123.2959 51.4818 41.7405 176.8713 27 I 3.7009 7.9447 111.6650 63.4543 37.1808 175.9343 28 Y 4.6101 7.9141 117.7285 57.6882 37.9473 176.3169 29 G 3.7976 8.6804 108.1000 45.7903 0.0000 172.8098 30 H 5.1549 7.7676 115.2675 53.1036 33.7242 172.7248 31 V 4.0768 9.0685 121.3260 62.9353 31.8096 175.5197 32 N 4.5760 9.0057 127.5194 53.3515 39.7665 175.5249 33 N 3.8805 8.8315 122.0000 55.8394 37.6898 177.3889 34 V 3.7842 7.9561 118.1560 66.1256 31.6358 178.1610 35 T 3.6603 7.9103 115.4191 66.3135 68.0993 176.0498 36 Y 3.4474 7.5314 118.3124 61.1440 37.2586 178.3348 37 Y 3.5500 7.7721 117.1354 60.2946 37.8035 178.0270 38 A 3.9740 7.5559 121.6478 55.0938 18.4906 179.3762 39 F 4.4897 7.3709 115.8116 60.8300 38.9646 177.9898 40 F 4.5575 8.1752 117.3250 60.9952 38.8319 177.5069 41 D 4.3371 8.4515 118.7476 57.5442 40.4672 179.1743 42 T 3.9156 8.3605 116.2230 66.5442 68.6481 176.6377 43 A 4.2177 8.5155 123.0456 55.2835 18.4052 179.9081 44 V 3.4756 7.9755 116.6774 66.3670 31.5900 178.0967 45 N 4.4861 8.3957 116.1564 56.2871 38.2378 177.5036 46 T 3.9157 8.2500 117.6852 66.8852 68.6086 175.8469 47 Y 4.0343 7.9836 120.6997 60.8020 38.8027 178.0122 48 L 4.1623 8.3965 120.0825 57.7634 41.5502 179.7051 49 I 4.0025 8.0417 119.9761 64.4090 36.9040 178.3218 50 E 3.9911 8.4888 121.0890 59.3573 29.5023 179.2246 51 R 4.4111 8.1204 118.6694 58.3888 30.9931 179.4535 52 G 4.1470 7.7052 101.1458 43.8687 0.0000 173.9565 53 G 3.9031 7.5791 110.3556 46.6831 0.0000 174.6599 54 L 3.9811 8.1327 119.9383 54.2350 41.3811 179.8252 55 D 4.8683 8.5333 123.2048 51.5602 41.1602 176.3083 56 I 3.9055 8.3039 123.0534 63.9073 38.4686 178.7598 57 Q 4.1458 8.3038 119.0443 57.4994 28.0880 181.0162 58 G 4.2197 8.0956 102.8270 44.3364 0.0000 172.8626 59 G 3.7549 8.1623 111.3707 46.0661 0.0000 174.8329 60 E 4.2813 8.7436 119.0903 57.8620 31.1392 176.7135 61 V 5.1182 7.8444 117.0856 61.4248 34.1502 174.7895 62 I 4.7921 8.8808 119.8197 59.1176 41.5033 173.9944 63 G 3.3470 8.3849 110.1032 44.5129 0.0000 172.8934 64 L 4.8565 8.5949 125.0660 52.6377 44.5546 175.9538 65 V 4.4236 8.4735 123.6418 63.2675 31.4074 175.7391 66 V 4.4883 8.7571 121.3064 62.1349 33.6664 175.8392 67 S 4.8697 7.9700 113.3651 57.7463 66.2118 173.2467 68 S 5.5055 8.4992 113.7412 58.1909 65.6275 173.2674 69 S 4.8797 9.2517 114.4223 58.9903 66.6733 172.6075 70 C 4.9776 8.4480 118.7705 58.3960 34.2395 172.4004 71 D 4.7063 8.6146 125.3892 52.4346 43.7830 174.5470 72 Y 4.1927 8.0974 119.8886 56.4218 39.3874 175.2023 73 F 4.9053 8.9564 123.9519 59.2011 40.3942 176.6650 74 A 4.5913 7.7091 117.7371 50.2704 21.7080 173.7104 75 P 4.7138 0.0000 0.0000 62.6890 32.6881 175.7020 76 V 4.8447 8.1943 114.3515 59.7241 35.8549 174.3022 77 A 5.1394 9.0414 122.3961 49.9319 22.6308 175.8287 78 F 4.3213 9.1809 124.4132 58.2775 39.8602 173.1874 79 P 3.9827 0.0000 0.0000 61.3593 31.4755 175.6614 80 Q 4.0553 7.9723 117.8507 57.0201 29.3536 176.1581 81 R 4.6063 8.3104 119.7711 55.3135 31.9890 175.5507 82 I 5.1740 7.9376 112.9608 59.2312 41.4450 173.4497 83 E 4.8882 8.3865 122.9669 54.8829 33.6376 174.4131 *85 G 3.9525 8.6948 104.6496 45.7326 0.0000 171.3194 86 L 5.3951 7.7011 122.3305 53.3727 45.9496 174.8649 87 R 4.9946 9.1771 121.1627 54.9713 33.6920 173.4583 88 V 4.1808 8.2160 119.7071 62.3761 32.5061 173.5994 89 A 4.0864 9.4038 133.9398 53.3426 18.1051 177.9708 90 R 4.4020 8.1586 114.2556 54.2790 32.5948 178.5248 91 L 4.6580 8.3961 123.7615 52.8185 43.5416 175.7987 92 G 4.0614 8.6474 120.5481 44.8976 0.0000 172.1887 93 N 4.5387 8.7501 115.1568 54.7471 37.8858 171.9387 94 S 5.1228 8.2275 109.3749 56.4578 65.1650 173.7062 95 S 5.4326 7.9315 114.6128 57.6365 66.7255 173.0828 96 V 4.7757 8.8287 119.2012 60.3984 35.2080 172.9920 97 Q 4.7987 8.8515 124.3442 54.6406 31.5453 173.6754 98 Y 4.9776 8.6094 124.6142 56.4811 40.6200 174.4846 99 E 5.1186 9.2614 122.2816 54.6597 32.8690 175.1626 100 L 5.1954 9.0334 122.6177 52.9920 46.2507 175.3397 101 A 4.8901 7.9654 121.9289 50.1292 22.5272 175.1164 102 L 4.6919 8.3446 122.3411 53.5062 44.3156 175.4659 103 F 5.3034 9.1585 124.0887 55.5655 43.2397 174.3863 104 L 4.8265 8.6201 120.3301 53.9176 43.3955 175.9300 105 E 3.9757 8.5446 120.8714 57.4208 29.8760 177.5302 106 G 3.9550 8.7392 112.5038 46.5580 0.0000 172.6554 107 Q 4.6670 8.1141 119.7279 54.4080 31.2449 177.0000 108 R 4.1753 8.6446 124.1293 59.4306 31.0190 175.0898 *109 E 4.8255 8.2291 115.4105 55.5962 30.8462 180.3115 110 A 3.9631 9.0979 127.0326 51.4394 18.7922 177.6445 111 C 4.5772 9.1437 118.3609 62.2091 29.7031 173.4908 112 A 4.5274 7.8022 117.9321 50.8777 22.2919 175.0544 113 A 4.9855 8.4432 121.2495 50.9871 23.1143 175.8594 114 G 4.0867 8.8182 108.4264 46.1604 0.0000 171.9795 115 R 5.2378 8.8536 117.2706 55.5996 33.3954 174.2744 116 F 5.5013 8.7570 113.9382 56.1066 42.0786 172.7885 117 V 4.8560 9.1140 119.6751 61.5608 34.0138 173.8162 118 H 5.6095 9.0195 124.7449 54.2398 31.4491 173.5937 119 V 4.7743 8.6471 122.9487 61.2500 33.9169 174.3190 120 F 5.0549 9.3469 127.1712 56.8157 40.3967 175.3270 121 V 4.9704 8.8666 116.4644 58.9045 36.3236 174.6573 122 E 4.1625 9.0379 124.6373 56.8942 29.8841 177.0694 123 R 3.7768 9.3222 131.3309 60.3572 29.7689 178.0851 124 R 3.8020 7.5651 113.7780 60.1488 29.6680 179.5426 125 S 4.3109 8.2330 113.4264 58.6780 63.8613 175.4440 126 S 3.8102 8.3857 117.8531 59.7365 60.9384 172.2735 127 R 4.1768 8.1689 122.7632 56.0441 29.9674 178.4272 128 P 4.8506 0.0000 0.0000 62.5278 32.0890 175.8802 129 V 4.6221 9.0414 121.7516 60.6054 35.4783 174.4274 130 A 4.3617 8.7552 127.3518 52.3442 18.9796 177.3686 131 I 3.5542 8.4255 123.3655 60.6636 37.6827 174.5775 132 P 4.1304 0.0000 0.0000 63.6759 32.1714 177.6073 133 Q 4.0164 9.0724 126.4162 61.3678 27.6694 179.1133 134 E 4.2128 8.1624 119.9226 60.8229 29.5671 181.0607 135 L 4.1418 7.6883 118.6587 57.6984 41.7809 179.0269 136 R 3.8362 8.4026 121.5312 60.3089 29.9138 178.8855 137 D 4.3395 8.5130 120.8816 58.3705 39.5806 180.1845 138 A 4.3280 7.6480 123.5550 55.5962 18.6312 180.1451 139 L 4.2617 8.3079 120.8780 59.6020 41.0737 181.5648 140 A 4.2167 8.4052 121.8710 54.8371 18.0805 179.4454 141 A 4.1491 8.0013 118.1613 54.2904 18.6501 178.1020 142 L 4.3662 7.7272 116.6992 54.7664 42.1140 177.0169 143 Q 4.3092 7.8672 123.9879 56.1374 28.7024 175.5721 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 7 P 0.00 4.75 0.00 2.32 2.32 0.00 3.04 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 8 L 8.49 5.96 0.00 1.52 1.48 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.47 3.89 0.00 1.73 1.79 0.00 3.22 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.21 0.00 10 E 8.25 4.13 0.00 2.09 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 0.00 2.28 2.38 0.00 11 Q 8.09 4.29 0.00 2.22 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 12 Y 8.07 4.60 0.00 2.92 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 13 L 8.42 4.45 0.00 1.66 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.79 5.09 0.00 3.09 2.87 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.35 5.21 0.00 2.87 2.86 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 0.00 0.00 0.00 16 Q 8.50 4.58 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 17 P 0.00 4.78 0.00 1.98 1.96 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 18 I 8.26 4.55 1.49 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 1.36 0.95 0.77 0.00 0.00 19 S 8.64 4.52 0.00 4.04 3.90 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 20 T 8.43 4.45 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 21 R 9.86 4.70 0.00 1.97 1.84 0.00 3.21 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 22 W 8.37 2.79 0.00 2.90 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 23 H 8.05 4.58 0.00 3.22 3.28 0.00 5.82 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.85 4.44 0.00 2.92 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 25 N 7.33 4.71 0.00 2.38 2.56 0.00 0.00 7.04 7.94 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 26 D 8.65 4.67 0.00 2.71 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 27 I 7.94 3.70 1.54 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.36 0.73 0.00 0.00 28 Y 7.91 4.61 0.00 3.13 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 29 G 8.68 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 30 H 7.77 5.15 0.00 3.17 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.07 4.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 1.02 0.00 0.00 32 N 9.01 4.58 0.00 2.75 2.59 0.00 0.00 6.52 6.33 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 33 N 8.83 3.88 0.00 2.28 2.21 0.00 0.00 5.80 7.68 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 34 V 7.96 3.78 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 0.98 0.00 0.00 0.90 0.00 0.00 35 T 7.91 3.66 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 36 Y 7.53 3.45 0.00 3.04 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.77 3.55 0.00 3.02 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 38 A 7.56 3.97 1.15 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 39 F 7.37 4.49 0.00 3.25 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 40 F 8.18 4.56 0.00 3.18 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 41 D 8.45 4.34 0.00 2.81 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 42 T 8.36 3.92 4.58 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 1.30 0.00 0.00 43 A 8.52 4.22 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.98 3.48 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.33 0.00 0.00 45 N 8.40 4.49 0.00 2.98 2.93 0.00 0.00 7.08 6.61 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 46 T 8.25 3.92 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 1.35 0.00 0.00 47 Y 7.98 4.03 0.00 3.05 3.14 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 0.00 0.00 0.00 0.00 48 L 8.40 4.16 0.00 1.87 1.86 1.39 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.04 4.00 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.22 0.98 0.00 0.00 50 E 8.49 3.99 0.00 1.99 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 0.00 2.35 2.40 0.00 51 R 8.12 4.41 0.00 1.83 1.81 0.00 3.24 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 52 G 7.71 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 53 G 7.58 3.90 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 0.00 54 L 8.13 3.98 0.00 1.65 1.49 0.92 0.79 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 55 D 8.53 4.87 0.00 2.69 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 56 I 8.30 3.91 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.95 0.00 0.00 57 Q 8.30 4.15 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 58 G 8.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.16 3.75 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 0.00 0.00 0.00 60 E 8.74 4.28 0.00 1.68 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 2.31 1.87 0.00 61 V 7.84 5.12 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 1.22 0.00 0.00 0.98 0.00 0.00 62 I 8.88 4.79 1.85 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 1.18 1.12 0.94 0.00 0.00 63 G 8.38 3.35 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 0.00 64 L 8.59 4.86 0.00 1.51 1.55 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.47 4.42 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 0.81 0.00 0.00 0.90 0.00 0.00 66 V 8.76 4.49 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.05 0.00 0.00 67 S 7.97 4.87 0.00 3.92 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 68 S 8.50 5.51 0.00 4.32 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 69 S 9.25 4.88 0.00 3.99 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 70 C 8.45 4.98 0.00 2.33 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.61 4.71 0.00 2.13 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 0.00 0.00 0.00 0.00 72 Y 8.10 4.19 0.00 2.56 2.56 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 73 F 8.96 4.91 0.00 3.02 3.01 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 74 A 7.71 4.59 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 75 P 0.00 4.71 0.00 1.82 1.91 0.00 3.73 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 1.89 1.85 0.00 76 V 8.19 4.84 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 0.89 0.00 0.00 1.03 0.00 0.00 77 A 9.04 5.14 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 78 F 9.18 4.32 0.00 3.15 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 79 P 0.00 3.98 0.00 1.76 0.83 0.00 3.22 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 80 Q 7.97 4.06 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 81 R 8.31 4.61 0.00 1.74 1.81 0.00 3.04 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 82 I 7.94 5.17 1.71 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.70 0.86 0.00 0.00 83 E 8.39 4.89 0.00 2.17 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 2.23 2.20 0.00 *85 G 8.69 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 86 L 7.70 5.40 0.00 1.59 1.28 0.85 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.18 4.99 0.00 1.94 1.90 0.00 2.79 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 88 V 8.22 4.18 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 0.64 0.00 0.00 0.87 0.00 0.00 89 A 9.40 4.09 1.12 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 0.00 0.00 90 R 8.16 4.40 0.00 1.51 1.80 0.00 3.19 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 91 L 8.40 4.66 0.00 1.44 1.52 0.85 1.03 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 92 G 8.65 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 93 N 8.75 4.54 0.00 2.66 2.84 0.00 0.00 6.12 7.64 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 94 S 8.23 5.12 0.00 4.00 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 95 S 7.93 5.43 0.00 3.98 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 96 V 8.83 4.78 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 0.48 0.00 0.00 0.67 0.00 0.00 97 Q 8.85 4.80 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 98 Y 8.61 4.98 0.00 2.32 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.26 5.12 0.00 1.85 1.89 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 2.21 2.22 0.00 100 L 9.03 5.20 0.00 0.56 1.11 0.40 0.38 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 0.00 101 A 7.97 4.89 0.38 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 0.00 102 L 8.34 4.69 0.00 1.86 1.61 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.16 5.30 0.00 3.06 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 0.00 104 L 8.62 4.83 0.00 1.68 1.61 1.02 0.99 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 0.00 105 E 8.54 3.98 0.00 1.86 1.92 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 2.48 2.31 0.00 106 G 8.74 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 0.00 107 Q 8.11 4.67 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 108 R 8.64 4.18 0.00 1.50 1.93 0.00 3.24 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.20 0.00 *109 E 8.23 4.83 0.00 1.74 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 110 A 9.10 3.96 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 0.00 111 C 9.14 4.58 0.00 3.00 3.32 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 0.00 112 A 7.80 4.53 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 0.00 113 A 8.44 4.99 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 0.00 114 G 8.82 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 0.00 115 R 8.85 5.24 0.00 2.01 2.00 0.00 2.79 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 116 F 8.76 5.50 0.00 3.50 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 0.00 117 V 9.11 4.86 2.19 0.00 0.00 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 0.97 0.00 0.00 118 H 9.02 5.61 0.00 3.31 2.88 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.65 4.77 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 0.93 0.00 0.00 0.97 0.00 0.00 120 F 9.35 5.05 0.00 3.08 3.01 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 0.00 121 V 8.87 4.97 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 122 E 9.04 4.16 0.00 2.16 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 2.33 2.29 0.00 123 R 9.32 3.78 0.00 1.91 1.97 0.00 3.59 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 124 R 7.57 3.80 0.00 1.86 1.78 0.00 3.31 0.00 0.00 3.28 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.23 0.00 125 S 8.23 4.31 0.00 4.03 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 0.00 126 S 8.39 3.81 0.00 4.06 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 0.00 127 R 8.17 4.18 0.00 1.48 1.82 0.00 3.29 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 128 P 0.00 4.85 0.00 1.95 2.07 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 129 V 9.04 4.62 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 1.00 0.00 0.00 0.96 0.00 0.00 130 A 8.76 4.36 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 0.00 131 I 8.43 3.55 1.70 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 0.87 0.66 0.35 0.00 0.00 132 P 0.00 4.13 0.00 2.09 1.97 0.00 3.41 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 133 Q 9.07 4.02 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 134 E 8.16 4.21 0.00 1.96 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 2.32 1.98 0.00 135 L 7.69 4.14 0.00 1.61 1.45 0.79 0.93 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 0.00 136 R 8.40 3.84 0.00 1.98 1.88 0.00 3.21 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 1.63 1.53 0.00 137 D 8.51 4.34 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.65 4.33 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 0.00 139 L 8.31 4.26 0.00 1.66 1.68 0.92 0.94 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 0.00 140 A 8.41 4.22 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 0.00 141 A 8.00 4.15 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 0.00 142 L 7.73 4.37 0.00 1.87 1.66 0.42 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 7.87 4.31 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.