NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.4077 8.3044 118.1934 54.8793 32.5699 174.7741 16 V 3.6711 8.1812 121.4017 61.2798 32.4122 174.0082 17 D 4.4855 9.3884 126.9252 54.8496 41.1193 175.7895 18 V 4.4127 8.1020 116.2952 60.8466 33.1487 177.6081 19 S 4.2726 8.0572 114.9921 60.5133 64.0074 175.2368 20 A 3.9031 7.4680 122.9083 53.5735 17.1239 178.5428 21 K 4.0114 8.8162 115.3024 55.3360 33.3542 176.4416 22 A 4.2384 8.4253 124.5085 52.4836 21.6671 172.1265 23 E 3.7312 8.9616 125.4340 57.0914 27.6452 174.2800 24 T 4.0262 7.4879 112.4485 61.2412 71.6184 172.2348 25 V 4.2344 8.5032 122.3029 62.2715 31.5092 175.1407 26 R 5.1317 8.4057 127.3686 54.6771 32.3580 175.4263 27 E 5.0956 8.4745 120.5828 55.5775 33.3461 173.4240 28 A 5.7658 8.6031 125.0677 51.2191 23.4765 175.3519 29 R 5.0936 8.4876 117.3802 54.4353 34.3949 174.3721 30 A 5.3210 8.8347 124.0135 50.2011 23.4237 174.2846 31 E 5.0822 9.1718 115.7254 55.0641 33.4801 174.2769 32 A 5.3548 8.4371 121.2600 50.0884 23.4563 175.0392 33 F 5.2060 8.6265 116.4851 55.6879 43.8079 174.0213 34 V 4.8232 8.6690 122.5535 61.5882 34.0044 174.2816 35 T 5.1068 9.1050 125.7810 62.7999 70.4349 173.9669 36 M 5.1347 8.5618 122.0134 54.2411 34.9847 174.4293 37 R 4.2357 9.3964 118.6023 55.6957 31.1202 178.4414 38 S 4.1522 8.6096 114.9032 61.8991 63.0554 176.5617 39 E 4.1210 8.1112 121.7226 59.1082 29.1053 179.3193 40 T 3.8209 7.7708 115.4379 66.6338 68.6764 176.2929 41 L 3.9612 8.0790 121.9898 58.0124 42.1519 178.6367 42 A 3.9871 8.5430 121.1471 55.5373 18.0477 179.5414 43 M 3.9759 7.7051 115.5734 58.6032 32.3506 178.5748 44 I 3.7617 7.4208 119.8884 64.7157 37.1506 178.2520 45 I 3.5039 7.6812 120.2004 64.3622 36.8032 177.0706 46 D 4.7445 7.7745 115.2618 52.3974 41.3331 174.6161 47 G 4.4351 8.7626 106.8257 46.4193 0.0000 176.4982 48 R 4.6918 5.8400 118.4376 56.8283 31.3625 176.3867 49 H 4.1736 8.3751 114.3186 57.1619 28.2917 174.9673 50 H 4.7594 7.4353 116.3831 56.3086 28.2516 175.3444 51 K 4.2823 9.1168 126.5112 58.5056 33.2313 176.9286 52 G 4.0229 7.4393 106.2356 43.4019 0.0000 172.3587 53 D 4.2638 7.8507 118.3478 54.7055 42.5339 175.6241 54 V 3.6591 8.5111 127.2528 66.4290 31.5654 177.7018 55 F 4.2518 8.5755 116.6061 60.5820 38.8048 177.3999 56 A 4.0525 8.0684 119.9356 55.3024 18.2934 179.5392 57 T 3.7953 7.8956 113.7667 66.9163 68.6376 176.6490 58 A 3.9964 8.0294 122.5262 54.9991 18.3984 179.5982 59 R 3.7701 8.1094 117.1437 59.7076 30.2189 178.7006 60 I 3.6642 7.8330 119.2574 64.4081 37.1262 178.3381 61 A 4.0544 8.2013 121.5760 55.0337 18.2495 179.6631 62 G 3.6672 8.0794 104.2743 48.3086 0.0000 175.9074 63 I 3.7674 7.6896 122.0750 64.0998 36.8516 178.6618 64 Q 3.9840 7.8828 117.9465 58.6128 28.7895 178.0555 65 A 4.0481 8.4546 122.0457 55.2770 18.4380 179.4796 66 A 3.9132 7.9783 119.0956 55.3344 18.2187 179.7983 67 K 4.2142 7.6848 114.5105 58.3256 32.4887 178.6482 68 R 3.9408 7.5983 117.8410 56.0388 29.7039 177.8497 69 T 3.8004 7.5112 118.8638 66.5652 68.2013 176.3860 70 W 4.2864 7.8826 116.9584 59.5351 28.2331 177.3543 71 D 4.2473 6.5888 117.1512 56.0007 40.5582 177.2671 72 L 4.4952 7.4442 117.7667 54.6061 42.7385 176.1475 73 I 4.2878 7.4566 120.7076 58.8542 37.6985 174.2576 74 P 4.2138 0.0000 0.0000 65.4124 31.2068 177.5650 75 L 4.5694 7.7035 114.0160 54.5481 41.8245 176.3708 76 C 4.4197 8.0163 117.0961 59.9194 28.7188 172.6573 77 H 4.9024 8.3942 118.9611 53.1877 30.0453 173.6682 78 P 4.0492 0.0000 0.0000 63.1494 31.4402 175.2086 79 L 4.2543 7.7915 118.0365 55.5480 42.4684 174.9141 80 M 4.3394 8.3325 120.0921 53.8367 30.8454 175.9005 81 L 4.2066 8.2393 123.9194 54.6969 42.5827 177.5627 82 S 4.6336 9.1527 117.4483 59.4026 65.1220 173.9085 83 K 4.6609 7.6358 120.7775 55.2390 35.5491 174.4478 84 V 4.8422 8.3771 126.3171 61.1814 34.6281 173.8630 85 E 4.6192 9.5448 128.6225 54.3403 32.8363 174.1436 86 V 4.4841 8.5550 126.6249 61.3831 33.6354 173.9931 87 N 4.9617 9.3120 126.5844 51.4847 40.7177 174.0279 88 L 4.9339 8.3345 123.1895 52.9830 44.5030 175.9998 89 Q 4.5898 8.5144 123.3886 54.7027 32.4790 173.4301 90 A 4.5915 9.0457 129.0563 52.0989 19.5998 176.9811 91 E 4.6039 9.0241 121.3702 53.6860 31.1922 174.7868 92 P 4.2873 0.0000 0.0000 65.0690 32.0909 178.7090 93 E 3.8876 8.3610 115.3413 59.2889 29.1516 177.4686 94 H 4.7129 8.0838 112.5357 54.3887 29.9208 174.0225 95 N 4.1719 7.8735 116.2525 53.2675 36.3033 172.6167 96 R 4.8414 7.5058 113.2666 56.0497 34.0449 174.7275 97 V 4.6323 8.4045 119.6922 61.2882 33.9968 174.1335 98 R 4.5152 8.8552 128.1017 54.6151 32.1996 174.5057 99 I 4.6814 8.1610 127.6148 59.4185 39.7944 174.0500 100 E 5.0058 9.1809 128.9471 54.4174 32.2789 174.7940 101 T 5.1591 8.8564 116.5303 59.9829 72.9340 172.6716 102 L 5.1446 8.5326 123.6201 54.0823 45.9141 174.3282 103 C 5.4233 9.1484 123.2456 58.0781 32.3099 173.0733 104 R 5.1977 8.9460 122.1799 55.1291 34.1940 173.6250 105 L 4.7698 7.9978 122.6441 56.5266 44.5327 173.3721 106 T 4.7555 7.7261 114.7410 61.7278 70.8622 173.5045 107 G 3.9870 8.0136 115.0351 46.3975 0.0000 172.1373 108 K 4.1965 8.9691 118.4371 57.8623 32.9399 177.1281 109 T 4.5383 7.5361 107.0754 59.4879 70.7737 174.3425 110 G 3.9001 8.3382 112.0985 45.5956 0.0000 174.1912 111 V 5.0991 7.8106 109.5746 58.9185 31.8400 176.0910 112 E 4.3473 7.8303 121.6223 58.6953 30.6915 178.3080 113 M 4.1446 7.8887 118.2623 58.1651 32.2042 178.4787 114 E 4.0369 8.4067 119.6528 58.7290 29.7283 179.0678 115 A 3.9880 7.8664 120.3670 55.1341 18.6399 179.5611 116 L 3.9578 7.8584 117.3880 58.1097 41.6168 179.9689 117 T 3.8709 8.1346 115.7290 66.4481 68.4207 176.7922 118 A 4.0497 7.9348 122.3164 55.0827 18.3945 179.6064 119 A 3.9033 7.9467 119.3051 55.2686 18.4339 180.1183 120 S 4.0288 8.1424 113.7875 61.7712 62.9352 177.0688 121 V 3.6332 8.0091 120.5884 65.3118 31.1942 178.0241 122 A 3.9161 8.0376 120.7079 55.0714 18.2465 179.3272 123 A 3.9396 7.9281 119.2676 55.4527 18.3471 179.8995 124 L 3.9723 8.0711 117.3769 58.1655 41.6118 179.9494 125 T 3.9414 8.1407 115.8852 66.4110 68.1405 176.8841 126 I 3.7066 7.5435 120.8979 64.5494 37.5290 177.3742 127 Y 4.0776 8.0469 119.9816 60.7150 38.1155 177.8464 128 A 4.1425 8.4685 121.8832 55.8380 18.3223 179.4463 129 M 4.2630 8.0414 114.5891 57.2811 31.9622 177.0348 130 C 4.6434 7.6258 115.7268 58.9841 29.2960 175.2630 131 K 3.6034 7.6792 121.3716 59.5159 31.6939 177.9990 132 A 4.0447 7.8649 119.4219 54.8811 18.0013 178.1866 133 V 3.7154 7.1852 115.5305 63.6848 32.2683 174.7876 134 Q 4.5815 7.9317 120.5164 54.0143 30.9006 175.8166 135 K 4.3005 8.6387 123.8851 57.5711 33.7772 176.3612 136 D 4.9494 7.7652 118.4119 53.4386 40.0560 176.2674 137 M 4.4644 7.9220 118.6554 56.3472 33.1473 176.0367 138 V 4.5638 8.4303 121.1440 61.2399 34.7184 174.1328 139 I 4.9003 9.9164 127.6300 58.8732 38.8611 174.4354 140 G 4.2896 8.3120 113.4711 42.7649 0.0000 171.0694 141 P 4.6564 0.0000 0.0000 62.1298 33.6492 175.1183 142 V 4.8011 8.2615 119.7536 61.3707 33.2139 174.3367 143 R 4.7456 8.6452 123.7754 54.5241 33.3704 174.1860 144 L 4.5786 8.4126 121.4240 55.2396 42.5244 175.9495 145 L 4.7105 8.5434 121.5169 55.8523 44.5719 176.7606 146 A 4.8672 7.6185 117.5660 50.9623 22.9767 175.6697 147 K 5.5088 8.9898 118.2652 56.8963 36.5225 174.7036 148 S 4.8071 8.5084 118.7569 56.3692 65.9185 174.4136 *151 K 4.2534 8.7502 124.1777 56.0837 33.5110 176.5641 152 S 4.2413 8.0356 113.4405 59.3375 63.4760 174.3572 153 G 3.8357 7.7611 106.3515 46.3950 0.0000 173.5668 154 D 4.7281 8.6800 118.6019 52.6692 42.1132 174.7717 155 F 4.7577 8.3554 130.2102 57.3436 42.7752 175.2233 156 K 4.1698 7.9937 124.9393 55.1788 31.4895 176.2262 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 15 M 8.30 4.41 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 16 V 8.18 3.67 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 0.76 0.00 0.00 0.95 0.00 0.00 17 D 9.39 4.49 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.10 4.41 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 0.76 0.00 0.00 0.75 0.00 0.00 19 S 8.06 4.27 0.00 3.96 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 20 A 7.47 3.90 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 21 K 8.82 4.01 0.00 1.73 1.77 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.50 7.81 22 A 8.43 4.24 1.17 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 23 E 8.96 3.73 0.00 2.13 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 0.00 2.20 2.36 0.00 24 T 7.49 4.03 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 1.21 0.00 0.00 25 V 8.50 4.23 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 0.82 0.00 0.00 0.94 0.00 0.00 26 R 8.41 5.13 0.00 1.82 1.82 0.00 3.50 0.00 0.00 3.20 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 27 E 8.47 5.10 0.00 2.02 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 2.28 2.46 0.00 28 A 8.60 5.77 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 29 R 8.49 5.09 0.00 1.61 1.77 0.00 2.93 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 30 A 8.83 5.32 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 31 E 9.17 5.08 0.00 1.79 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 2.16 2.20 0.00 32 A 8.44 5.35 1.11 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 0.00 0.00 33 F 8.63 5.21 0.00 3.19 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 34 V 8.67 4.82 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 1.09 0.00 0.00 0.99 0.00 0.00 35 T 9.10 5.11 4.28 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 1.23 0.00 0.00 36 M 8.56 5.13 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 37 R 9.40 4.24 0.00 1.93 2.03 0.00 3.12 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 38 S 8.61 4.15 0.00 4.04 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 0.00 39 E 8.11 4.12 0.00 2.07 2.03 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 2.39 2.45 0.00 40 T 7.77 3.82 4.37 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 1.18 0.00 0.00 41 L 8.08 3.96 0.00 1.79 1.82 1.01 1.08 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 42 A 8.54 3.99 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 43 M 7.71 3.98 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 44 I 7.42 3.76 2.05 0.00 0.00 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 1.60 0.63 0.91 0.00 0.00 45 I 7.68 3.50 1.82 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 1.33 0.77 0.86 0.00 0.00 46 D 7.77 4.74 0.00 2.82 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 47 G 8.76 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 5.84 4.69 0.00 1.66 1.46 0.00 2.92 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.33 0.00 49 H 8.38 4.17 0.00 3.24 3.29 0.00 5.61 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 7.44 4.76 0.00 3.46 2.33 0.00 5.64 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 9.12 4.28 0.00 1.74 1.83 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.35 7.81 52 G 7.44 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 53 D 7.85 4.26 0.00 2.70 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 54 V 8.51 3.66 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 1.17 0.00 0.00 0.96 0.00 0.00 55 F 8.58 4.25 0.00 3.18 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 56 A 8.07 4.05 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 57 T 7.90 3.80 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 58 A 8.03 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.11 3.77 0.00 2.02 2.12 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 60 I 7.83 3.66 1.99 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 1.73 0.70 0.91 0.00 0.00 61 A 8.20 4.05 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 62 G 8.08 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.69 3.77 2.01 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 1.51 1.17 0.91 0.00 0.00 64 Q 7.88 3.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 65 A 8.45 4.05 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 66 A 7.98 3.91 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 67 K 7.68 4.21 0.00 1.93 1.92 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.51 1.61 7.81 68 R 7.60 3.94 0.00 1.77 1.60 0.00 2.95 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.50 0.00 69 T 7.51 3.80 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 1.22 0.00 0.00 70 W 7.88 4.29 0.00 3.54 3.22 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 71 D 6.59 4.25 0.00 1.58 2.23 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 72 L 7.44 4.50 0.00 1.55 1.62 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.46 4.29 1.88 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 1.46 1.02 0.91 0.00 0.00 74 P 0.00 4.21 0.00 2.04 2.15 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 2.03 2.14 0.00 75 L 7.70 4.57 0.00 1.61 1.64 0.92 0.94 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 76 C 8.02 4.42 0.00 3.18 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 77 H 8.39 4.90 0.00 3.12 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.05 0.00 1.69 0.98 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 79 L 7.79 4.25 0.00 1.72 1.62 1.14 0.74 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 80 M 8.33 4.34 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 81 L 8.24 4.21 0.00 1.66 1.62 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.15 4.63 0.00 3.84 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 0.00 83 K 7.64 4.66 0.00 1.82 1.64 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 84 V 8.38 4.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.94 0.00 0.00 85 E 9.54 4.62 0.00 1.98 1.71 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 2.17 2.21 0.00 86 V 8.55 4.48 2.03 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 0.79 0.00 0.00 0.93 0.00 0.00 87 N 9.31 4.96 0.00 2.67 2.65 0.00 0.00 6.46 6.60 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 88 L 8.33 4.93 0.00 0.90 0.29 0.71 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.51 4.59 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 90 A 9.05 4.59 1.41 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 0.00 0.00 0.00 91 E 9.02 4.60 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 92 P 0.00 4.29 0.00 2.18 2.11 0.00 3.64 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 93 E 8.36 3.89 0.00 1.91 2.05 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 2.16 2.14 0.00 94 H 8.08 4.71 0.00 3.17 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.87 4.17 0.00 2.96 3.10 0.00 0.00 6.60 6.94 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 96 R 7.51 4.84 0.00 2.01 2.05 0.00 2.69 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 97 V 8.40 4.63 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 0.73 0.00 0.00 1.06 0.00 0.00 98 R 8.86 4.52 0.00 1.96 1.87 0.00 3.33 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.00 99 I 8.16 4.68 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.33 0.77 0.00 0.00 100 E 9.18 5.01 0.00 1.85 1.67 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 2.09 2.11 0.00 101 T 8.86 5.16 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 102 L 8.53 5.14 0.00 1.72 1.46 0.91 1.13 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 0.00 103 C 9.15 5.42 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.95 5.20 0.00 1.82 1.69 0.00 3.14 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 105 L 8.00 4.77 0.00 1.84 1.75 0.99 0.92 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 0.00 106 T 7.73 4.76 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 0.00 107 G 8.01 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 0.00 108 K 8.97 4.20 0.00 1.72 2.03 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 109 T 7.54 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 1.22 0.00 0.00 110 G 8.34 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 0.00 111 V 7.81 5.10 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 1.15 0.00 0.00 0.96 0.00 0.00 112 E 7.83 4.35 0.00 2.05 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 2.34 2.44 0.00 113 M 7.89 4.14 0.00 2.03 2.13 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 2.70 2.58 0.00 114 E 8.41 4.04 0.00 2.06 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 2.44 2.48 0.00 115 A 7.87 3.99 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 0.00 116 L 7.86 3.96 0.00 1.86 1.71 0.91 0.69 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 0.00 117 T 8.13 3.87 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 1.20 0.00 0.00 118 A 7.93 4.05 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 0.00 119 A 7.95 3.90 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 0.00 120 S 8.14 4.03 0.00 3.98 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 0.00 121 V 8.01 3.63 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.94 0.00 0.00 122 A 8.04 3.92 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 0.00 123 A 7.93 3.94 1.41 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 0.00 0.00 0.00 124 L 8.07 3.97 0.00 1.85 1.70 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.14 3.94 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 1.25 0.00 0.00 126 I 7.54 3.71 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 0.97 0.00 0.00 127 Y 8.05 4.08 0.00 3.26 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 0.00 128 A 8.47 4.14 1.46 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 0.00 0.00 129 M 8.04 4.26 0.00 2.04 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.60 0.00 130 C 7.63 4.64 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 0.00 131 K 7.68 3.60 0.00 2.01 1.85 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 132 A 7.86 4.04 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 0.00 133 V 7.19 3.72 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 0.76 0.00 0.00 0.90 0.00 0.00 134 Q 7.93 4.58 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.61 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 135 K 8.64 4.30 0.00 1.89 1.90 0.00 1.51 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.45 7.81 136 D 7.77 4.95 0.00 2.82 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 0.00 137 M 7.92 4.46 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 138 V 8.43 4.56 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 139 I 9.92 4.90 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.92 0.00 0.00 140 G 8.31 4.29 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 0.00 141 P 0.00 4.66 0.00 2.27 2.22 0.00 3.55 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 142 V 8.26 4.80 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 143 R 8.65 4.75 0.00 1.90 1.98 0.00 2.84 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 144 L 8.41 4.58 0.00 1.65 1.58 0.93 0.88 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 0.00 145 L 8.54 4.71 0.00 1.40 1.50 0.84 0.53 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 0.00 146 A 7.62 4.87 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 0.00 147 K 8.99 5.51 0.00 1.79 1.88 0.00 1.43 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.33 1.27 7.81 148 S 8.51 4.81 0.00 3.93 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 *151 K 8.75 4.25 0.00 1.82 1.89 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.38 7.81 152 S 8.04 4.24 0.00 3.84 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 0.00 153 G 7.76 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.68 4.73 0.00 2.73 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 0.00 155 F 8.36 4.76 0.00 2.97 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 0.00 156 K 7.99 4.17 0.00 1.96 1.62 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 0.98 7.81 * Residues marked with a * may have inaccurate shift predictions.