NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3451 8.1593 117.3764 62.8034 69.9693 172.9642 3 E 3.8786 8.5932 120.2882 56.1234 29.9238 174.3277 4 I 4.6920 8.1115 121.4420 59.3391 41.2169 175.0873 5 E 5.9730 8.6651 125.6699 55.5441 32.5388 174.4512 6 R 4.8078 8.8880 119.6143 54.3453 34.6690 174.1445 7 K 5.1388 8.4734 122.2891 54.7848 35.7999 174.9338 8 F 5.2286 9.2475 124.1124 55.2566 43.7338 174.3961 9 L 4.5437 8.7520 121.4040 55.2237 43.0807 176.1013 10 V 4.5930 7.8820 118.6919 61.5330 32.7644 175.1569 11 A 4.4847 9.3380 130.5669 54.3044 19.6073 177.8525 12 T 4.7262 7.9149 110.0835 61.3924 72.2742 174.3336 13 F 3.8890 9.0947 128.8270 57.6181 39.9405 173.0717 14 P 3.7270 0.0000 0.0000 61.9911 31.8921 175.4517 15 D 4.5092 7.7257 118.9974 51.6804 41.6336 174.8815 16 G 3.7266 8.5044 104.7054 44.4701 0.0000 172.1641 17 E 4.1718 8.3684 119.5770 55.6794 29.7607 175.6024 18 L 5.0594 8.4065 125.6864 53.1871 45.1972 175.1926 19 H 4.9815 9.2261 123.2189 54.4679 31.8880 172.8604 20 A 4.6734 8.3560 127.3326 50.2171 20.9803 176.1071 21 V 4.2499 8.1795 121.7755 60.2390 34.7648 172.8987 22 P 4.6524 0.0000 0.0000 62.6049 33.0718 175.1580 23 L 5.0950 8.8597 121.5933 53.1839 46.2538 175.7129 24 R 5.3234 8.5956 120.6063 54.6061 34.3307 174.2342 25 Q 5.3809 9.5009 121.0023 55.3900 32.4779 173.6945 26 G 4.3838 9.2971 107.9986 45.4979 0.0000 171.0802 27 Y 5.0292 8.6701 119.6179 56.2339 39.2996 177.0815 28 L 4.2936 9.1943 125.6370 56.9816 42.4347 177.6397 29 T 4.5880 7.9768 107.6833 60.4738 71.0466 173.5985 30 T 4.6087 8.2996 118.2117 60.9528 70.5826 174.3861 31 P 4.4223 0.0000 0.0000 65.6265 31.4071 177.5037 32 T 4.1662 7.7194 105.8047 62.3515 69.1726 174.5626 33 D 4.6208 8.3736 123.9143 54.1128 41.4236 177.4664 34 S 4.2430 8.5338 115.5118 60.4045 63.4138 173.8286 35 I 4.8812 7.0282 109.9013 58.9584 41.0546 174.2570 36 E 4.7378 9.3790 123.9089 54.3489 31.9152 174.1370 37 L 5.2578 9.1464 129.1642 53.3370 44.8925 174.9159 38 R 4.9707 9.1366 126.3984 54.4351 33.7292 173.7780 39 L 5.5557 9.0707 125.2120 53.0907 44.7320 175.7000 40 R 5.3458 9.5360 119.0812 54.7500 33.6229 173.4298 41 Q 4.4056 9.6413 123.8072 54.4205 31.7256 174.1733 42 Q 3.9685 8.3865 125.6576 55.8128 30.4355 178.9306 43 G 3.7377 8.6709 116.3538 46.6441 0.0000 172.1330 44 T 4.1239 8.8180 115.3535 61.6776 68.8474 172.5327 45 E 4.4295 7.3546 119.0187 55.2364 33.3404 173.9945 46 Y 4.8336 7.1527 116.3963 56.3814 42.4337 174.3966 47 F 5.3695 9.6012 121.0466 56.0067 44.0734 173.1742 48 M 5.2976 9.3877 121.5622 54.1805 35.0783 174.3604 49 T 5.1628 9.1102 122.4625 61.6607 72.1098 172.5895 50 L 5.2397 9.2854 128.3179 53.2517 44.9011 175.1263 51 K 5.2753 9.3117 125.5197 55.1138 35.4150 175.6312 52 S 4.2719 8.7670 116.3775 59.9708 64.7223 174.2593 *59 Q 4.0705 7.8550 119.5010 54.8351 30.3136 173.4445 60 E 5.1437 8.3079 122.1153 54.6950 33.0015 174.1373 61 Y 4.8617 9.6555 123.5096 56.1444 41.9670 174.0482 62 E 5.3273 9.0035 123.5851 54.3450 32.6582 174.5036 63 I 4.7416 8.8255 120.3438 58.9446 40.5415 174.6349 64 Q 4.5448 8.9693 127.3574 56.0228 29.6451 174.6902 65 I 4.8894 8.3422 119.2054 58.9878 41.2667 174.5236 66 D 4.7243 9.0176 123.3451 51.8630 40.9996 177.8134 67 V 2.4120 7.9226 118.5276 64.8679 30.8622 178.5134 68 T 3.8317 7.7369 115.7835 66.3710 68.4818 176.6005 69 Q 3.9698 8.8437 120.3848 58.9079 28.7266 178.8664 70 F 4.0438 8.2811 121.6010 61.5418 39.2777 177.1350 71 E 4.1710 8.2637 116.5785 59.2055 29.2933 178.8896 72 M 4.2049 8.0572 118.6714 58.1522 32.2769 178.1267 73 L 4.2027 7.9776 118.7105 56.2819 41.9793 178.7721 74 W 4.2873 8.4159 129.2189 60.3215 30.0620 176.1722 75 P 4.2267 0.0000 0.0000 64.6308 30.4822 177.2208 76 A 4.4019 7.8539 118.7260 52.4112 18.9059 178.0467 77 T 4.4229 7.4619 110.4955 59.6638 69.2146 174.1632 78 E 3.8006 6.8405 123.1730 58.0719 29.8560 177.0924 79 G 3.9843 9.2784 114.5706 45.4371 0.0000 173.0222 80 R 5.1598 8.0883 118.0515 54.7210 30.7164 174.7683 81 R 5.1536 7.7224 115.7799 54.3180 34.6006 175.0021 82 V 4.8811 9.0823 119.8606 61.3384 34.6934 174.1002 83 E 5.4130 8.8226 126.5289 54.6526 33.1488 174.8671 84 K 4.7015 8.7663 121.0665 56.6177 36.7173 173.9479 85 T 4.6622 8.4431 118.0561 61.8403 70.8168 173.5196 86 R 4.9605 8.5152 127.2940 54.9912 32.2581 174.2115 87 Y 5.1282 9.2869 124.4310 56.4561 40.6642 174.7113 88 S 4.9475 9.1190 121.0634 57.3284 65.3008 173.9278 89 G 3.8220 7.4334 110.2822 45.3103 0.0000 170.9033 90 K 5.0373 8.1373 119.4644 54.7948 35.4003 176.6296 91 L 4.6227 9.1682 126.4034 53.8115 42.3646 176.1990 92 P 4.4193 0.0000 0.0000 66.0614 31.2506 177.3741 93 D 4.5323 8.1153 114.8455 54.7321 40.9540 177.1314 94 G 4.0228 8.6746 108.8238 45.0331 0.0000 174.1595 95 Q 4.1252 7.8862 119.5804 55.7193 29.2887 175.4118 96 L 4.8129 8.2731 122.2826 54.5405 43.3613 175.7683 97 F 5.3386 8.7027 116.3077 55.2408 42.2313 173.2198 98 E 5.1983 9.3589 118.7697 54.5229 32.9987 174.6897 99 L 5.3153 9.5628 126.6405 53.5182 45.0426 174.4854 100 D 5.2444 9.4178 127.0297 52.7006 43.3183 175.6130 101 V 4.6880 8.8046 124.0100 61.3072 33.2649 174.7691 102 F 4.8835 9.0058 126.7520 57.0121 40.5620 174.9762 103 A 4.6865 9.0571 123.2232 49.7349 22.5077 177.2820 104 G 3.7246 8.8087 107.1846 47.2978 0.0000 175.8725 105 H 4.4735 8.9420 116.7195 57.4504 29.0845 176.6826 106 L 3.9890 7.4359 119.1894 56.2786 41.8807 176.9756 107 S 4.5380 7.7885 113.6863 58.3968 62.5814 171.6189 108 P 4.8177 0.0000 0.0000 62.6791 31.8352 175.4855 109 L 4.2170 8.2854 122.0703 56.8070 42.9767 175.7860 110 M 5.6752 8.8035 123.7442 53.8338 36.6421 174.0617 111 L 5.3655 9.3513 121.7483 52.9248 46.5936 175.7956 112 V 4.9149 9.0640 121.2706 59.8953 34.4528 173.8198 113 E 5.1689 9.5411 126.1382 54.3708 32.2460 174.7393 114 V 4.8779 8.9739 120.2662 59.3736 34.7473 174.3935 115 E 4.9629 7.9095 120.8661 54.5350 31.7838 175.2522 116 F 4.9348 9.2519 119.8896 55.9327 42.2774 175.3185 117 L 4.2856 8.9173 121.1793 56.4085 42.3263 177.5996 118 S 4.8481 7.7226 111.5844 56.0639 65.8088 174.3463 119 E 4.1106 8.7151 122.1120 57.8470 29.8516 177.4693 120 D 4.6444 7.8601 116.4593 54.2298 41.1183 178.3709 121 A 3.9191 8.0324 123.5487 55.2240 18.7116 179.5338 122 A 2.5800 7.5888 117.7825 54.9125 18.4334 179.1220 123 Q 4.0164 7.6565 113.1929 58.6364 28.8700 177.6393 124 A 4.1123 7.8479 119.6691 53.4287 18.8949 177.4439 125 F 4.0341 7.4049 117.5249 59.0540 39.5454 174.5344 126 I 3.8997 7.5139 128.5635 58.5374 37.5221 173.8136 127 P 2.9700 0.0000 0.0000 61.0734 31.9424 174.9594 128 P 4.1152 0.0000 0.0000 61.4808 31.9943 175.5840 129 P 4.1984 0.0000 0.0000 65.2781 31.4515 178.0768 130 W 4.5192 8.0329 114.6778 58.6821 29.0040 176.7677 131 F 4.3789 7.6825 119.3436 57.6897 38.9745 176.0347 132 G 4.3937 8.6073 109.9665 45.3411 0.0000 173.1589 133 E 4.4367 8.7592 119.6406 56.2864 30.8718 176.5126 134 E 4.1499 8.7969 123.5784 56.2525 30.5193 176.6883 135 V 4.3512 8.4484 116.7895 61.1329 33.2380 177.4613 136 T 3.7442 7.9177 118.7064 66.7919 68.1213 174.6610 137 E 4.3339 7.9049 116.4281 56.1985 30.1898 175.3066 138 D 4.6713 8.2123 121.3145 53.1217 41.8241 177.3114 139 K 4.0960 8.7150 126.3666 59.4054 32.3672 179.3828 140 R 3.8153 8.0894 117.1524 58.4341 29.9072 176.8595 141 Y 4.4648 7.3928 113.2058 57.4253 38.8585 176.7789 142 K 4.2020 7.6970 121.0789 55.9739 34.0081 176.9240 143 N 4.3566 8.9372 121.0001 57.2742 38.7887 177.2323 144 K 3.9932 8.1203 119.9160 59.1703 32.4795 178.3216 145 A 3.9489 7.9877 120.7451 55.1487 18.0538 179.4801 146 L 3.8207 7.8754 115.9366 57.9050 41.9149 179.0988 147 A 4.5324 8.3333 122.4224 54.6095 18.1750 179.1669 148 L 4.2461 8.1518 115.3391 55.0770 42.1724 177.6371 149 S 4.4067 7.1930 113.2666 58.0562 63.7531 173.4842 150 I 4.5165 7.7051 120.5846 58.5085 40.5577 174.0830 151 P 4.3902 0.0000 0.0000 63.0947 31.0908 176.3914 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 T 8.16 4.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 E 8.59 3.88 0.00 2.17 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 2.29 2.43 0.00 4 I 8.11 4.69 1.94 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 1.54 1.37 1.16 0.00 0.00 5 E 8.67 5.97 0.00 2.07 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 2.22 2.30 0.00 6 R 8.89 4.81 0.00 2.14 1.87 0.00 3.10 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 7 K 8.47 5.14 0.00 1.76 1.47 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.40 7.81 8 F 9.25 5.23 0.00 2.47 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.75 4.54 0.00 1.60 1.62 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.88 4.59 2.22 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 0.99 0.00 0.00 1.03 0.00 0.00 11 A 9.34 4.48 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 12 T 7.91 4.73 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 1.25 0.00 0.00 13 F 9.09 3.89 0.00 2.92 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 14 P 0.00 3.73 0.00 1.30 0.49 0.00 2.20 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.59 0.00 15 D 7.73 4.51 0.00 2.73 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 16 G 8.50 3.73 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 0.00 0.00 0.00 17 E 8.37 4.17 0.00 1.94 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 2.29 2.33 0.00 18 L 8.41 5.06 0.00 1.61 1.72 0.65 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 H 9.23 4.98 0.00 3.16 3.14 0.00 5.56 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 20 A 8.36 4.67 0.94 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 21 V 8.18 4.25 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 0.95 0.00 0.00 0.81 0.00 0.00 22 P 0.00 4.65 0.00 2.05 2.04 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 23 L 8.86 5.10 0.00 1.49 1.65 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.60 5.32 0.00 1.52 1.32 0.00 2.99 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 25 Q 9.50 5.38 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 26 G 9.30 4.38 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 0.00 27 Y 8.67 5.03 0.00 2.96 3.10 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 28 L 9.19 4.29 0.00 1.53 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.98 4.59 4.35 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 1.30 0.00 0.00 30 T 8.30 4.61 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 1.17 0.00 0.00 31 P 0.00 4.42 0.00 1.97 2.05 0.00 3.60 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 32 T 7.72 4.17 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 1.19 0.00 0.00 33 D 8.37 4.62 0.00 2.88 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 34 S 8.53 4.24 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.03 4.88 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.94 0.00 0.00 36 E 9.38 4.74 0.00 2.07 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 2.43 2.50 0.00 37 L 9.15 5.26 0.00 1.81 1.52 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 R 9.14 4.97 0.00 1.76 1.67 0.00 2.67 0.00 0.00 2.98 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.00 39 L 9.07 5.56 0.00 1.75 1.83 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.54 5.35 0.00 1.91 2.08 0.00 2.84 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 41 Q 9.64 4.41 0.00 0.96 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 42 Q 8.39 3.97 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.61 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 43 G 8.67 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.82 4.12 4.14 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 1.11 0.00 0.00 45 E 7.35 4.43 0.00 1.91 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 2.06 2.11 0.00 46 Y 7.15 4.83 0.00 2.86 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 47 F 9.60 5.37 0.00 2.95 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 48 M 9.39 5.30 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 49 T 9.11 5.16 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 50 L 9.29 5.24 0.00 1.72 1.64 0.84 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 51 K 9.31 5.28 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.43 7.81 52 S 8.77 4.27 0.00 3.89 3.98 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 *59 Q 7.86 4.07 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 60 E 8.31 5.14 0.00 1.90 1.68 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 2.16 2.34 0.00 61 Y 9.66 4.86 0.00 2.84 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 62 E 9.00 5.33 0.00 1.95 1.82 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 2.34 2.37 0.00 63 I 8.83 4.74 1.95 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 1.20 1.21 0.99 0.00 0.00 64 Q 8.97 4.54 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 65 I 8.34 4.89 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.97 0.97 0.00 0.00 66 D 9.02 4.72 0.00 2.86 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 67 V 7.92 2.41 1.70 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 0.70 0.00 0.00 0.52 0.00 0.00 68 T 7.74 3.83 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 69 Q 8.84 3.97 0.00 2.21 2.18 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 2.38 2.49 0.00 70 F 8.28 4.04 0.00 2.97 2.78 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 71 E 8.26 4.17 0.00 1.96 2.01 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 2.55 2.47 0.00 72 M 8.06 4.20 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.57 0.00 73 L 7.98 4.20 0.00 1.65 1.66 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 74 W 8.42 4.29 0.00 2.83 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.23 0.00 2.15 2.05 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 76 A 7.85 4.40 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 7.46 4.42 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 78 E 6.84 3.80 0.00 1.95 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 2.25 2.16 0.00 79 G 9.28 3.98 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 0.00 0.00 0.00 80 R 8.09 5.16 0.00 1.98 1.98 0.00 3.21 0.00 0.00 3.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 81 R 7.72 5.15 0.00 1.84 1.90 0.00 2.88 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.46 0.00 82 V 9.08 4.88 2.30 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 1.33 0.00 0.00 1.15 0.00 0.00 83 E 8.82 5.41 0.00 2.08 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 2.60 2.60 0.00 84 K 8.77 4.70 0.00 1.29 1.43 0.00 0.66 0.00 0.00 1.43 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.13 1.10 7.81 85 T 8.44 4.66 4.11 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 0.60 0.00 0.00 86 R 8.52 4.96 0.00 1.85 1.65 0.00 3.00 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 87 Y 9.29 5.13 0.00 2.98 2.87 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 88 S 9.12 4.95 0.00 3.71 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 89 G 7.43 3.82 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 0.00 0.00 0.00 90 K 8.14 5.04 0.00 1.60 1.64 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.57 7.81 91 L 9.17 4.62 0.00 2.06 1.71 1.12 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.42 0.00 2.07 2.18 0.00 3.76 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 2.10 2.21 0.00 93 D 8.12 4.53 0.00 2.94 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 94 G 8.67 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 95 Q 7.89 4.13 0.00 2.22 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.04 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 96 L 8.27 4.81 0.00 1.66 1.49 0.93 0.95 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 97 F 8.70 5.34 0.00 3.23 3.18 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 98 E 9.36 5.20 0.00 1.96 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 2.20 2.21 0.00 99 L 9.56 5.32 0.00 2.00 1.78 0.64 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 100 D 9.42 5.24 0.00 2.54 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 0.00 0.00 0.00 101 V 8.80 4.69 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.31 0.00 0.00 102 F 9.01 4.88 0.00 3.25 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 0.00 103 A 9.06 4.69 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 0.00 104 G 8.81 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 0.00 105 H 8.94 4.47 0.00 3.28 3.49 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.44 3.99 0.00 2.02 1.55 0.94 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.79 4.54 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.82 0.00 2.28 2.16 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 109 L 8.29 4.22 0.00 1.77 1.59 1.09 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 110 M 8.80 5.68 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.76 0.00 111 L 9.35 5.37 0.00 1.86 1.63 1.18 0.52 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 0.00 112 V 9.06 4.91 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.67 0.00 0.00 113 E 9.54 5.17 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 114 V 8.97 4.88 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 115 E 7.91 4.96 0.00 1.90 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 2.06 2.13 0.00 116 F 9.25 4.93 0.00 2.84 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 0.00 117 L 8.92 4.29 0.00 1.67 1.76 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.72 4.85 0.00 3.97 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 0.00 119 E 8.72 4.11 0.00 2.02 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 2.34 2.26 0.00 120 D 7.86 4.64 0.00 2.91 2.87 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 0.00 121 A 8.03 3.92 1.51 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 0.00 0.00 122 A 7.59 2.58 0.96 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 0.00 0.00 123 Q 7.66 4.02 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 124 A 7.85 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.40 4.03 0.00 2.90 3.08 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 0.00 126 I 7.51 3.90 1.55 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.66 0.00 0.00 127 P 0.00 2.97 0.00 1.47 1.01 0.00 3.37 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 128 P 0.00 4.12 0.00 1.72 1.83 0.00 2.20 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.29 0.00 129 P 0.00 4.20 0.00 2.10 2.14 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 130 W 8.03 4.52 0.00 3.59 3.29 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 0.00 131 F 7.68 4.38 0.00 2.46 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 0.00 132 G 8.61 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 0.00 0.00 0.00 0.00 133 E 8.76 4.44 0.00 1.94 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 2.43 2.35 0.00 134 E 8.80 4.15 0.00 1.88 1.75 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 2.02 1.51 0.00 135 V 8.45 4.35 1.72 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 -0.01 0.00 0.00 0.63 0.00 0.00 136 T 7.92 3.74 4.14 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 1.17 0.00 0.00 137 E 7.90 4.33 0.00 1.91 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 2.25 2.33 0.00 138 D 8.21 4.67 0.00 2.80 2.92 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 0.00 139 K 8.72 4.10 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 140 R 8.09 3.82 0.00 1.68 1.54 0.00 2.99 0.00 0.00 3.16 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 141 Y 7.39 4.46 0.00 2.95 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 0.00 142 K 7.70 4.20 0.00 1.85 1.76 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.61 7.81 143 N 8.94 4.36 0.00 2.88 2.96 0.00 0.00 6.72 6.75 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 0.00 144 K 8.12 3.99 0.00 1.83 1.70 0.00 1.47 0.00 0.00 1.64 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.78 7.81 145 A 7.99 3.95 1.34 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 0.00 146 L 7.88 3.82 0.00 1.90 1.72 0.86 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.33 4.53 1.62 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 0.00 0.00 148 L 8.15 4.25 0.00 1.53 1.67 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 149 S 7.19 4.41 0.00 4.00 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 0.00 150 I 7.71 4.52 1.83 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 1.36 0.61 0.87 0.00 0.00 151 P 0.00 4.39 0.00 1.99 1.95 0.00 3.59 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.