NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7918 8.2127 109.7372 45.4605 0.0000 175.3615 *2 L 4.1729 7.5941 119.4396 54.0233 44.3006 179.3784 3 K 3.9779 7.9401 118.5770 59.3971 32.0292 178.7632 4 I 3.6908 7.8198 120.1420 64.2822 37.0111 178.0010 5 L 3.9483 7.9731 120.4374 58.1784 41.8019 178.7451 6 A 4.0848 8.3658 121.1261 55.5184 18.3796 179.7977 7 T 3.8825 8.2849 108.6774 64.9385 68.8107 176.9907 8 Q 4.0188 8.5547 121.3558 58.5496 28.7563 178.2207 9 F 4.3321 8.6027 122.0189 61.5494 39.4110 176.6776 10 N 4.1242 8.6229 117.0071 56.4174 38.7385 176.8329 11 G 3.6162 7.9490 107.3198 47.7182 0.0000 175.5745 12 K 3.8648 7.6499 121.7202 58.9735 31.9406 178.7489 13 L 3.5698 6.9832 118.2137 57.9107 41.7068 179.2591 14 Q 4.0774 8.1134 118.2188 59.1760 28.6883 179.0530 15 T 3.9635 7.7776 110.1480 64.4262 68.7810 176.6096 16 L 3.9756 7.8505 122.0810 58.0016 41.4068 179.2651 17 T 3.9000 7.7283 115.4225 66.6552 68.1411 176.1286 18 K 4.2482 7.9298 118.5122 57.8804 32.2678 177.4573 19 Q 4.9223 8.0107 118.7175 54.2749 29.8780 177.4888 20 E 4.0181 8.0475 121.2026 59.8036 29.3648 178.8358 21 D 4.4489 8.0517 118.2292 57.5799 41.0872 178.5628 22 E 4.0023 8.1465 118.5859 59.2313 29.4967 179.0407 23 L 4.0737 8.0418 120.6204 58.0338 42.1067 178.7924 24 F 4.0427 8.8310 121.1023 61.0954 39.2688 176.8422 25 D 4.2896 8.2906 118.9434 57.0547 40.5355 178.7816 26 V 3.4237 7.4720 118.5063 65.9805 31.4927 178.1080 27 V 3.3745 7.3951 117.8051 65.9762 31.1083 177.8438 28 R 3.6547 7.3598 118.5743 59.1683 29.6286 178.0543 29 L 3.9340 7.4127 118.8387 58.2921 42.5053 178.7392 30 L 4.1049 7.8488 118.5692 57.7524 41.7101 179.3227 31 A 4.1595 8.3707 120.9695 55.1615 18.3041 179.5481 32 Q 3.9908 7.9320 116.6671 59.1550 28.5201 178.8629 33 A 4.3159 7.9523 121.2767 55.3257 18.7146 179.5727 34 L 4.1688 7.9489 116.4805 57.3685 41.5654 179.9226 35 V 3.2592 7.6086 110.8279 63.3363 31.8395 177.3271 36 G 4.1596 7.6863 105.0327 46.0024 0.0000 174.2562 37 Q 4.5756 8.6614 123.4975 55.2831 29.4270 175.4513 38 G 4.2418 7.5430 105.7639 45.5640 0.0000 173.5099 39 K 4.7229 9.2277 118.6112 54.2743 36.2118 175.6554 40 V 4.6646 8.3209 122.9082 61.9264 33.2815 174.1418 41 Y 5.2369 8.9608 125.8480 56.1030 40.8381 174.4184 42 L 4.9386 9.2391 127.2607 54.3961 43.9677 174.7067 43 D 5.3278 9.8365 126.5780 52.7133 43.1455 174.0059 44 A 5.4879 8.9601 127.5900 50.2197 21.8860 174.8811 45 Y 4.5559 8.7930 117.8315 56.1749 41.7186 175.8139 46 G 3.9453 9.1035 111.1256 46.5991 0.0000 176.2037 47 E 3.8183 8.7769 122.4938 59.1348 29.1513 177.9274 48 F 4.3437 7.7877 115.7758 58.7734 39.0808 176.8560 49 E 3.4702 8.2872 119.4597 58.8218 29.0089 178.9019 50 G 3.7327 7.8658 104.4913 46.6441 0.0000 175.2528 51 L 4.0831 7.6585 120.9292 57.4548 41.9343 178.3675 52 Y 4.5694 7.5524 116.9942 60.2899 38.7507 176.2392 53 P 4.9930 0.0000 0.0000 61.8555 29.9161 177.3454 *55 L 4.2485 7.6174 118.0810 54.2434 43.9709 178.7666 56 S 4.5644 7.7148 111.5681 59.0359 64.0270 175.0208 57 D 4.8424 8.3903 117.2043 53.3470 42.4766 175.9457 58 G 4.0138 7.7274 109.1276 43.6067 0.0000 173.1607 59 P 4.4018 0.0000 0.0000 64.7270 31.5814 176.9977 60 D 4.8455 7.8005 117.6014 53.7639 41.2012 176.1081 61 Q 4.1181 7.2421 117.4664 55.7784 29.3140 175.3431 *63 K 3.9255 8.1426 115.9199 57.8070 33.0214 176.7838 64 R 3.8615 8.6275 119.6124 56.0449 27.6616 175.3715 65 V 4.6579 7.3872 117.9214 61.4518 33.1000 174.3340 66 T 4.7370 8.5554 121.8113 59.9652 71.5469 172.6082 67 K 4.5430 8.5876 126.4718 56.1243 32.7930 176.2879 68 I 3.9222 8.8200 130.4930 62.2056 38.9613 175.6851 69 K 4.5347 8.3721 129.3989 52.2696 33.7888 174.0732 70 D 4.4851 8.6013 124.2519 55.4676 41.1111 176.4444 71 H 4.2188 8.8376 118.4215 56.1889 26.2733 174.1093 72 K 4.2368 7.6482 120.9924 54.9586 32.6584 176.3707 73 T 2.4978 8.0888 123.6930 62.9798 68.6514 174.4310 74 L 4.0765 5.6200 126.2194 53.4947 43.7493 174.5280 75 H 4.9883 8.7057 115.6100 53.7527 32.5773 174.8857 76 A 4.7858 8.5730 122.0532 54.7229 18.3036 179.1188 77 V 3.9290 7.7991 107.8877 62.7260 32.2030 175.6686 78 D 5.2208 7.8385 119.7866 53.6181 42.3960 176.0946 79 R 4.9121 8.8718 118.1127 54.6232 34.7574 174.4452 80 V 4.8459 8.6295 122.5050 61.0301 34.4403 173.8412 81 L 4.8911 9.1112 130.2470 53.5191 44.1345 174.7533 82 I 5.7901 8.7110 127.5117 58.9041 40.2451 174.5817 83 F 5.0660 8.9641 124.5184 55.8921 41.9391 174.1308 84 T 5.3367 8.7154 117.8559 59.7282 70.5149 172.8470 85 P 4.8098 0.0000 0.0000 65.9429 32.0141 175.6337 86 D 4.6124 7.9205 116.8314 53.0163 41.5871 174.7142 87 T 4.3838 8.3564 108.1582 61.6816 68.8558 175.1906 88 E 4.2796 8.2366 121.1719 57.4874 30.3171 177.6343 89 R 4.0145 7.7223 119.5750 56.1689 31.5873 177.5864 90 S 4.1473 8.6994 119.8085 61.5168 62.9110 176.6399 91 D 4.3714 8.0074 121.6280 56.2192 39.2429 178.1046 92 L 3.5171 7.5270 122.6551 57.1046 42.0425 178.7022 93 L 3.7934 7.7509 118.5040 57.8398 41.6653 179.4794 94 A 3.8827 7.9521 120.5289 55.0955 18.1640 179.9707 95 S 3.5388 7.8636 113.7006 61.4748 62.8095 176.7940 96 L 3.4002 7.6961 121.5992 57.5083 41.2902 179.3771 97 A 3.8294 7.6949 120.6067 55.0899 18.2278 179.9408 98 R 3.0206 7.1846 115.9892 59.3111 29.9386 178.9371 99 Y 4.4869 7.1452 116.5758 61.1944 37.9774 178.2948 100 D 4.4616 8.4853 119.9464 57.5209 40.7496 178.8347 101 A 3.9443 7.5800 119.8789 54.6869 18.4560 179.0246 102 W 4.6399 7.9664 114.9173 56.9294 29.9074 176.0725 103 H 4.1233 7.9361 115.3984 57.1451 26.2883 174.2112 104 T 4.7471 8.2307 116.7470 61.5846 69.2742 173.7876 105 P 4.5017 0.0000 0.0000 62.6644 32.6858 175.1471 106 Y 5.3731 7.5502 118.9967 55.5320 41.8103 173.5652 107 S 4.9718 9.0127 117.5273 56.4677 64.3564 172.4908 108 I 4.7510 8.4608 128.1846 59.7356 39.4364 174.5240 109 I 4.5576 8.5052 128.9553 59.8814 38.9827 174.5258 110 T 4.9692 8.5556 122.7260 59.9768 69.4626 175.0058 111 L 4.3596 9.0918 130.2699 57.9293 43.3568 176.8697 112 G 4.0732 7.9685 108.9512 46.2043 0.0000 172.1528 113 D 5.2576 8.4924 122.2296 52.3430 43.6625 177.5185 114 V 3.7523 8.2308 120.4344 63.0244 32.1194 175.3685 115 T 4.7788 8.0562 115.8204 59.0565 73.1436 174.6997 116 E 4.1235 8.7143 120.5436 60.0099 29.7320 179.5042 117 T 4.0147 7.8333 115.1879 66.4756 68.5940 176.2214 118 L 3.9928 7.9997 122.2576 58.2637 41.9272 178.6698 119 E 4.1698 8.0367 116.5551 58.4790 29.4013 178.9700 120 R 4.1074 7.8144 117.9252 57.5946 30.4696 176.9237 121 S 4.1780 7.6444 114.0748 57.6044 62.9016 174.0996 122 I 3.7367 7.4656 127.3509 63.4506 38.1049 175.8842 123 A 4.7709 7.4155 121.5157 49.5885 18.7789 173.3633 124 P 4.8543 0.0000 0.0000 61.7451 33.8173 176.4630 125 L 4.5568 8.8226 122.5014 53.8018 45.6414 174.3060 126 A 4.7919 8.6112 128.6446 50.6950 19.3314 176.5961 127 L 4.0321 9.2870 123.8057 54.9569 42.4842 177.7041 128 K 3.8662 7.9553 117.7590 57.2772 30.4057 175.2814 129 F 5.0498 9.0402 116.6585 57.9306 39.7789 173.7696 130 D 4.9923 8.1016 115.6913 52.7920 40.2686 175.9790 131 K 4.6022 7.5156 117.5427 54.3196 35.6251 176.3034 132 G 3.6953 8.3819 110.0488 45.9284 0.0000 173.6728 133 L 4.2198 8.5032 119.6614 54.8029 42.3700 176.9183 134 L 4.6909 7.8005 120.2399 51.9612 43.4151 174.2459 135 P 4.8837 0.0000 0.0000 62.5638 32.5553 175.4157 136 A 4.7999 8.4251 123.2173 50.6364 22.3054 177.7861 137 E 3.5713 8.4980 115.8693 59.5118 30.6689 178.2251 138 D 4.4683 7.8776 118.3716 52.9136 39.8085 176.9971 139 G 3.9541 8.1869 109.0758 45.0879 0.0000 173.9312 140 S 4.6418 8.1317 114.8548 57.9056 64.9381 173.4882 141 R 5.3015 8.3385 118.7059 54.9977 34.0951 173.8697 142 H 4.6759 8.6554 116.7374 55.0863 33.1519 170.6614 143 G 3.7701 8.8934 107.5868 45.3692 0.0000 170.5262 144 L 4.6765 7.5847 121.9530 52.5623 43.9251 175.8074 145 P 4.6101 0.0000 0.0000 62.1127 28.9084 177.2159 146 S 4.5103 7.7376 117.0875 62.5281 63.6945 175.8875 147 L 3.9340 7.8678 123.8362 57.4032 41.8005 178.4048 148 A 4.0331 8.0457 120.3616 55.1587 18.2981 179.1613 149 L 4.2931 8.4665 118.9057 58.4029 42.1441 179.5051 150 G 3.7690 8.5207 105.4022 47.7936 0.0000 175.5551 151 A 3.9486 8.5229 123.8192 54.7194 18.4131 179.3745 152 F 4.0652 8.5751 119.2440 61.5927 39.3997 177.4151 153 L 4.0438 8.3322 118.5190 57.7646 41.4826 179.2526 154 L 4.0420 8.3988 120.7233 58.3538 41.9125 179.1686 155 T 3.7791 8.0694 115.9758 66.6830 68.3102 175.9342 156 H 3.9073 7.8550 119.9717 59.2725 29.8013 177.1514 157 I 3.5910 7.9282 121.6648 64.4780 36.9849 178.3066 158 L 3.9225 8.2982 119.8997 58.2580 41.4783 179.8870 159 T 3.7997 7.9624 115.5906 66.5460 68.1249 176.6562 160 Q 3.8926 8.0656 120.9218 59.0527 29.1565 177.8243 161 L 3.9784 7.8144 119.2680 57.8725 41.9022 179.0454 162 Q 3.9904 8.1252 119.5099 58.7590 28.9451 177.9487 163 E 4.0861 7.9077 116.5152 57.4031 29.4235 178.2521 *165 T 3.2360 7.8011 115.3826 62.9008 70.3792 176.1418 166 E 3.9489 7.9314 119.3704 59.3667 29.5199 178.5360 167 E 4.0881 7.5955 116.8116 58.6037 29.7794 177.0486 168 W 4.6489 7.6027 122.7222 56.9909 29.1107 175.9281 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 0 G 8.21 3.79 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 0.00 0.00 0.00 *2 L 7.59 4.17 0.00 1.76 1.71 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.94 3.98 0.00 1.87 1.94 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.54 7.81 4 I 7.82 3.69 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 1.41 0.71 0.91 0.00 0.00 5 L 7.97 3.95 0.00 1.75 1.67 0.94 1.09 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 6 A 8.37 4.08 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 7 T 8.28 3.88 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 1.25 0.00 0.00 8 Q 8.55 4.02 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 9 F 8.60 4.33 0.00 3.20 3.24 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 10 N 8.62 4.12 0.00 2.83 2.91 0.00 0.00 7.16 8.41 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 11 G 7.95 3.62 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 0.00 12 K 7.65 3.86 0.00 1.81 1.56 0.00 1.42 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.30 1.01 7.81 13 L 6.98 3.57 0.00 1.44 1.27 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.11 4.08 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 15 T 7.78 3.96 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 16 L 7.85 3.98 0.00 1.86 1.75 0.84 0.66 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 17 T 7.73 3.90 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 1.20 0.00 0.00 18 K 7.93 4.25 0.00 1.87 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.46 7.81 19 Q 8.01 4.92 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 20 E 8.05 4.02 0.00 2.07 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 0.00 2.37 2.38 0.00 21 D 8.05 4.45 0.00 2.79 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 22 E 8.15 4.00 0.00 2.18 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 2.40 2.44 0.00 23 L 8.04 4.07 0.00 1.90 1.86 0.93 0.90 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 24 F 8.83 4.04 0.00 3.24 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 25 D 8.29 4.29 0.00 2.93 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 26 V 7.47 3.42 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 0.91 0.00 0.00 0.96 0.00 0.00 27 V 7.40 3.37 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 0.84 0.00 0.00 0.88 0.00 0.00 28 R 7.36 3.65 0.00 1.44 1.72 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 29 L 7.41 3.93 0.00 1.71 1.81 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.85 4.10 0.00 1.83 1.67 0.90 1.10 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 31 A 8.37 4.16 1.48 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 0.00 0.00 32 Q 7.93 3.99 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 33 A 7.95 4.32 1.44 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 34 L 7.95 4.17 0.00 2.16 1.95 0.89 0.73 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 35 V 7.61 3.26 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.88 0.00 0.00 36 G 7.69 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 0.00 0.00 0.00 37 Q 8.66 4.58 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 38 G 7.54 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 0.00 0.00 0.00 0.00 39 K 9.23 4.72 0.00 1.36 1.01 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.31 7.81 40 V 8.32 4.66 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 0.95 0.00 0.00 0.92 0.00 0.00 41 Y 8.96 5.24 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 42 L 9.24 4.94 0.00 1.89 1.77 1.23 0.95 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 43 D 9.84 5.33 0.00 2.96 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 44 A 8.96 5.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.79 4.56 0.00 3.11 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 46 G 9.10 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 47 E 8.78 3.82 0.00 1.83 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 2.10 2.24 0.00 48 F 7.79 4.34 0.00 3.39 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 49 E 8.29 3.47 0.00 2.10 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 0.00 2.42 2.48 0.00 50 G 7.87 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 51 L 7.66 4.08 0.00 1.39 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0.00 1.34 0.99 7.81 70 D 8.60 4.49 0.00 2.56 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 0.00 0.00 0.00 0.00 71 H 8.84 4.22 0.00 3.34 3.46 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.65 4.24 0.00 1.65 1.66 0.00 1.76 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 1.27 7.81 73 T 8.09 2.50 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 0.43 0.00 0.00 74 L 5.62 4.08 0.00 1.58 1.61 0.77 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.71 4.99 0.00 3.14 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.57 4.79 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.80 3.93 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 1.03 0.00 0.00 0.97 0.00 0.00 78 D 7.84 5.22 0.00 2.82 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 79 R 8.87 4.91 0.00 1.71 1.77 0.00 3.25 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 80 V 8.63 4.85 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 1.00 0.00 0.00 0.37 0.00 0.00 81 L 9.11 4.89 0.00 1.80 1.61 0.75 1.06 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 82 I 8.71 5.79 2.06 0.00 0.00 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 1.56 1.12 1.08 0.00 0.00 83 F 8.96 5.07 0.00 2.84 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 84 T 8.72 5.34 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 1.24 0.00 0.00 85 P 0.00 4.81 0.00 2.23 2.34 0.00 4.09 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 86 D 7.92 4.61 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.51 3.44 0.00 5.60 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 0.00 104 T 8.23 4.75 4.56 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 1.32 0.00 0.00 105 P 0.00 4.50 0.00 2.03 1.87 0.00 3.77 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 106 Y 7.55 5.37 0.00 3.02 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 0.00 107 S 9.01 4.97 0.00 3.87 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 0.00 108 I 8.46 4.75 1.90 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 1.28 0.86 0.87 0.00 0.00 109 I 8.51 4.56 0.92 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.23 0.66 0.00 0.00 110 T 8.56 4.97 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 1.29 0.00 0.00 111 L 9.09 4.36 0.00 2.12 2.05 1.42 1.24 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 120 R 7.81 4.11 0.00 2.11 2.20 0.00 3.18 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 121 S 7.64 4.18 0.00 4.06 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 0.00 122 I 7.47 3.74 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.83 0.00 0.00 123 A 7.42 4.77 1.18 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 0.00 124 P 0.00 4.85 0.00 2.08 2.23 0.00 3.73 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 1.95 1.95 0.00 125 L 8.82 4.56 0.00 1.66 1.40 0.90 1.47 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 0.00 126 A 8.61 4.79 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 0.00 127 L 9.29 4.03 0.00 1.69 1.82 1.01 0.99 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 0.00 128 K 7.96 3.87 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.39 7.81 129 F 9.04 5.05 0.00 3.01 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 0.00 130 D 8.10 4.99 0.00 2.80 2.89 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 0.00 131 K 7.52 4.60 0.00 1.66 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.37 7.81 132 G 8.38 3.70 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 0.00 0.00 0.00 133 L 8.50 4.22 0.00 1.63 1.74 1.15 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.80 4.69 0.00 1.29 1.45 0.85 0.76 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 0.00 135 P 0.00 4.88 0.00 2.07 2.04 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 136 A 8.43 4.80 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 0.00 137 E 8.50 3.57 0.00 2.10 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 0.00 2.28 2.30 0.00 138 D 7.88 4.47 0.00 2.81 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.19 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 0.00 140 S 8.13 4.64 0.00 3.94 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 R 8.34 5.30 0.00 1.63 1.80 0.00 3.33 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 142 H 8.66 4.68 0.00 3.21 3.34 0.00 5.51 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 0.00 143 G 8.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.58 4.68 0.00 1.41 1.49 0.47 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.61 0.00 1.83 1.94 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 146 S 7.74 4.51 0.00 4.23 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 0.00 147 L 7.87 3.93 0.00 1.74 1.63 0.91 1.15 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 0.00 148 A 8.05 4.03 1.08 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 0.00 0.00 149 L 8.47 4.29 0.00 2.05 2.12 0.72 0.35 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 0.00 150 G 8.52 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 A 8.52 3.95 1.39 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 0.00 152 F 8.58 4.07 0.00 3.36 3.36 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 0.00 0.00 0.00 0.00 153 L 8.33 4.04 0.00 2.19 1.91 1.05 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.40 4.04 0.00 1.54 1.57 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.07 3.78 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 1.13 0.00 0.00 156 H 7.86 3.91 0.00 2.89 3.37 0.00 5.79 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 0.00 157 I 7.93 3.59 1.91 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 1.53 0.69 0.90 0.00 0.00 158 L 8.30 3.92 0.00 1.58 1.79 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 159 T 7.96 3.80 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 1.15 0.00 0.00 160 Q 8.07 3.89 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 161 L 7.81 3.98 0.00 1.69 1.60 0.87 1.18 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 0.00 162 Q 8.13 3.99 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 163 E 7.91 4.09 0.00 2.15 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 2.26 2.29 0.00 *165 T 7.80 3.24 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 166 E 7.93 3.95 0.00 2.05 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 2.29 2.30 0.00 167 E 7.60 4.09 0.00 1.93 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 2.37 2.34 0.00 168 W 7.60 4.65 0.00 3.59 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.