NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.5490 8.4449 117.8403 55.8289 30.1533 172.1196 -4 H 4.6818 8.4932 119.7742 53.9237 30.5311 172.4539 -3 H 4.9788 8.6507 120.6084 53.7944 32.4962 173.6391 -2 H 4.1359 8.8821 117.4610 58.3831 29.7164 175.2460 -3 D 4.8888 8.5707 122.8084 52.9944 44.5962 175.8391 -2 E 3.7559 8.8821 119.4610 59.9831 30.6164 177.7460 4 L 4.2437 7.8683 118.2328 57.8394 41.7813 179.4305 5 L 3.8837 7.8614 118.4647 57.8172 41.4874 179.2007 6 N 4.2940 8.0652 116.0280 56.1366 38.5061 177.2892 7 R 3.8316 7.9018 119.7410 59.1723 30.2966 178.1708 8 L 2.4729 7.9805 120.4898 57.5819 41.9987 178.8560 9 R 3.5113 7.4431 118.5528 59.4072 29.9912 178.2563 10 Q 3.9063 8.0597 119.4766 59.3462 28.9578 178.3090 11 T 3.8065 7.7468 116.9164 66.2923 68.3925 176.5610 12 W 4.2153 7.8022 120.7180 60.3635 28.9564 178.4632 13 H 4.4882 8.2761 115.1385 58.5254 28.2017 177.5056 14 S 4.4442 8.1135 115.1732 59.7972 63.3385 174.8972 15 T 4.4169 7.7120 110.3782 61.4341 70.4827 174.7872 16 I 4.3445 7.9939 123.3491 57.8105 38.4218 173.5285 17 P 4.2495 0.0000 0.0000 65.7428 31.6286 178.2014 18 V 3.6741 7.7637 116.5699 65.9717 31.4765 178.0922 19 S 3.9052 8.1809 114.0784 61.1614 62.5319 176.1765 20 E 3.6398 7.3961 120.6324 58.5995 29.4699 179.3034 21 F 4.2052 7.9191 118.5734 58.1732 39.7431 175.0263 *23 Q 4.1220 8.0391 112.9673 55.0953 30.0000 175.7178 24 I 4.1435 7.6368 118.6192 61.2624 38.1344 175.7857 25 A 5.0258 8.7964 125.3628 49.9526 22.8589 173.9156 26 P 4.7432 0.0000 0.0000 63.0601 31.7867 176.0645 27 L 4.7497 8.9246 122.8332 56.2274 43.4022 176.8164 28 S 4.6254 7.7215 110.0147 58.0082 66.0108 175.1095 29 F 5.6172 8.6990 123.2783 57.5967 40.7900 173.0269 30 T 4.2535 8.0740 119.1457 61.3484 70.2980 172.8811 31 D 4.3356 9.4171 123.9766 55.4780 38.5808 174.9153 32 G 3.9696 8.0030 104.3441 45.4917 0.0000 172.6867 33 E 5.1893 8.1218 121.2501 54.0938 32.4206 174.2317 34 L 5.3668 9.2076 129.5129 53.7192 44.4562 174.9629 35 S 5.4464 9.2141 122.2831 56.8593 65.9768 173.3663 36 V 4.8917 9.2404 123.4179 61.6285 35.6684 173.8026 37 S 5.0126 8.8134 118.2437 57.8760 66.7747 172.2477 38 A 4.8838 8.1262 121.2010 50.3569 21.4275 174.3250 39 P 4.5845 0.0000 0.0000 62.3617 32.4574 177.0992 40 L 4.1022 8.6795 120.7981 58.3164 41.8540 178.7461 41 A 3.9302 7.9079 119.3699 54.9826 18.5399 177.3278 42 P 4.3718 0.0000 0.0000 64.2803 31.7494 176.4291 43 N 4.9647 7.8354 115.9494 52.9972 38.6978 174.9135 44 I 4.6854 7.7955 112.0274 59.6978 39.0120 173.7232 45 N 5.1093 8.0878 117.1412 50.6830 40.0258 174.6013 46 L 3.8456 8.4411 116.9573 59.0997 39.1322 177.4562 47 H 4.4945 8.7083 115.3773 55.8841 28.9637 175.7058 48 H 4.2070 8.3111 115.9418 56.7178 26.0292 175.0443 49 T 4.2607 6.9440 107.7827 62.6498 71.2049 173.2190 *51 F 4.8700 7.6426 119.7268 56.8629 42.0126 175.5586 52 A 3.8862 8.3026 127.0331 55.4317 17.9421 180.2388 53 G 3.1652 5.3800 103.3123 47.7136 0.0000 176.1120 54 S 4.2180 7.6527 117.0114 61.2722 62.7562 176.4145 55 I 3.6872 7.7490 121.8160 64.6358 37.0154 177.4297 56 Y 4.1100 7.8331 118.5582 61.0498 38.9246 177.9165 57 T 4.0014 8.2208 116.7272 66.4579 68.5509 177.4566 58 I 3.7217 7.7375 119.2280 61.5146 37.8566 177.3782 *60 T 3.9480 7.8466 113.9994 61.3859 69.1139 175.7498 61 L 3.9084 7.6502 121.2563 57.6719 41.1223 179.6004 62 T 4.1939 7.6026 115.5157 66.4218 68.4492 176.7555 63 G 3.7246 7.8748 106.0929 47.5117 0.0000 174.8968 64 W 4.1320 8.4967 131.7567 59.8357 30.6221 179.5856 65 G 4.1884 8.9539 104.9935 45.0045 0.0000 175.4747 *67 V 3.7843 7.7944 121.9951 62.1679 33.5326 177.0612 68 W 3.6952 7.8413 128.9810 60.3420 30.3559 177.8216 69 L 3.6235 8.0330 118.9825 57.9351 40.8734 179.6400 70 Q 3.5850 7.3646 117.2414 58.7899 28.4431 178.7752 71 Q 3.7827 7.7034 119.1194 58.8208 28.7049 178.6669 72 Q 3.5580 7.5162 119.1556 58.7864 28.4006 178.8479 73 L 3.9096 7.5296 118.8916 57.1603 41.7131 178.6544 74 L 4.2250 7.2953 116.3536 53.4904 42.6633 175.6305 75 N 4.0288 7.7050 116.3469 55.0091 37.5677 174.0329 76 V 4.4213 7.6836 109.3851 59.4713 34.8226 175.2587 77 D 4.8839 8.1595 122.7987 52.8438 43.1084 175.6735 78 G 4.1182 8.0813 106.2305 46.0822 0.0000 172.3440 79 D 4.8184 9.2287 125.3797 53.7029 42.2488 175.0969 80 I 4.7807 8.5348 127.8079 60.6704 38.2648 175.6727 81 V 4.7141 9.0805 127.0125 60.8807 34.9724 174.0449 82 L 4.1668 8.9253 129.8911 55.2180 42.0380 175.9159 83 A 4.5363 8.8762 129.2843 54.0879 19.7444 176.9469 84 D 4.7926 7.6896 112.3957 52.5448 42.6919 174.1744 85 A 4.8710 8.2307 120.2959 51.0386 22.5658 174.9016 86 H 4.9100 8.8277 119.4517 54.3023 33.2167 172.2164 87 I 4.9380 8.1989 124.3395 59.2163 41.2960 174.2080 88 R 4.5761 8.7297 127.2768 54.5474 33.4765 174.0101 89 Y 4.6325 8.7262 121.4747 56.9470 38.4939 175.2648 90 L 4.4763 8.9680 125.3922 56.6179 42.7504 177.2923 91 A 4.6634 7.6543 117.7993 49.9039 22.0557 173.9488 92 P 4.3127 0.0000 0.0000 62.6389 31.9672 176.5691 93 V 4.1715 8.2724 121.6946 61.9160 31.8025 175.5729 94 T 4.4260 8.3392 116.9802 61.4465 69.3284 173.7053 95 S 4.3875 7.5697 115.0842 57.3502 65.3177 173.7776 96 A 4.1095 8.9083 122.8993 51.6977 17.9124 175.6974 97 P 4.8733 0.0000 0.0000 62.5001 33.7206 175.2485 98 E 4.6517 9.4276 119.8843 54.7884 31.8366 175.5042 99 V 4.8413 9.0038 126.2872 61.2369 33.4071 174.6853 100 K 5.4706 9.3765 127.7334 54.7165 35.9901 175.6860 101 V 4.9424 8.7744 121.9869 60.2499 35.0565 173.6753 102 R 5.1873 8.6322 123.9735 54.0040 32.2307 174.9753 103 W 4.5753 9.2288 135.0000 56.7544 31.1420 173.6500 104 P 4.4416 0.0000 0.0000 62.2299 31.0864 175.4261 105 D 4.3709 6.7433 115.5450 55.9948 38.0705 174.3665 106 T 3.7438 6.1972 114.0631 63.2787 69.2638 174.3162 107 N 4.5641 8.6087 124.2178 53.5594 39.1178 174.4686 108 L 4.6510 8.5207 125.0193 54.5594 42.6668 178.3126 109 S 4.7415 8.0505 117.6934 60.6618 62.3893 174.4665 110 P 4.2589 0.0000 0.0000 65.5975 31.1492 178.3339 111 L 4.3196 7.8710 118.9308 57.2424 41.6954 178.7946 112 Q 4.3228 8.1766 115.7311 56.6729 28.5802 176.9065 113 R 4.5968 7.8337 118.5005 55.4537 31.1579 175.8674 114 G 3.9071 7.9213 105.2627 46.3610 0.0000 173.2068 115 R 4.8952 8.0196 118.0967 53.3722 33.4723 175.8432 116 K 4.4708 8.6947 120.6253 57.0553 33.8641 175.9252 117 A 4.8356 9.0766 123.2605 50.1987 22.3198 174.9901 118 K 4.9966 8.7170 120.7620 54.8168 34.4210 176.1825 119 V 4.3173 9.2692 124.2748 61.0611 34.5434 173.9089 120 K 4.9666 8.7508 129.9193 55.2383 33.0810 175.3907 121 L 5.0142 9.2549 127.3762 52.8642 45.7296 174.9441 122 E 5.1527 8.8981 122.1364 54.5104 31.8884 175.0510 123 V 4.8019 9.2079 126.8532 61.2490 34.6963 174.1220 124 Q 5.0183 9.1753 125.6567 53.9027 32.7420 173.9761 125 L 5.0960 8.3277 124.4432 53.3201 44.7480 175.1292 126 F 5.4249 9.4712 124.8165 55.9329 43.0237 174.0728 127 C 4.8475 8.8707 121.4690 58.4159 34.7219 173.7305 128 D 4.4268 9.9528 125.2235 55.4877 37.9633 174.7057 129 G 3.9287 8.6740 104.9441 45.3286 0.0000 173.5728 130 K 4.6096 7.9139 121.1408 53.7854 34.0477 175.0694 131 L 3.9476 8.7049 128.1059 55.4794 42.2686 175.7770 132 C 4.8252 8.9046 123.4027 60.0215 31.0061 173.5767 133 A 4.9135 7.4144 118.7825 50.6197 22.3837 174.7414 134 Q 4.8288 8.8497 121.7063 54.1602 32.4126 174.0913 135 F 5.2842 9.1736 127.3576 56.5507 43.3244 172.9643 136 D 5.1531 8.5044 124.8926 52.4779 44.1933 174.9276 137 G 4.1666 9.1505 110.4440 44.0940 0.0000 170.9079 138 L 5.0871 8.6816 125.7792 53.5604 43.4626 174.6486 139 Y 5.1094 9.4932 124.8612 56.3860 40.8475 175.0299 140 V 4.8614 9.0445 122.6823 61.2183 34.8937 173.9297 141 S 5.2748 9.3612 123.2050 56.6608 64.8749 172.7596 142 V 4.4252 8.5134 120.8740 58.5875 33.9211 174.4171 143 P 4.9130 0.0000 0.0000 62.5526 31.2511 176.1236 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 -5 H 8.44 4.55 0.00 3.05 3.18 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 8.49 4.68 0.00 3.16 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.65 4.98 0.00 3.17 3.54 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.88 4.14 0.00 3.09 3.36 0.00 5.95 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 -3 D 8.57 4.89 0.00 2.60 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 -2 E 8.88 3.76 0.00 1.86 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 0.00 2.30 2.41 0.00 4 L 7.87 4.24 0.00 1.74 1.77 0.89 0.50 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 5 L 7.86 3.88 0.00 1.52 1.42 0.81 0.64 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 6 N 8.07 4.29 0.00 2.99 2.85 0.00 0.00 6.77 7.66 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 7 R 7.90 3.83 0.00 2.13 2.36 0.00 3.37 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 8 L 7.98 2.47 0.00 1.27 1.25 -0.30 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.44 3.51 0.00 1.79 1.85 0.00 2.94 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 10 Q 8.06 3.91 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 11 T 7.75 3.81 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 12 W 7.80 4.22 0.00 3.48 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 13 H 8.28 4.49 0.00 3.13 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.11 4.44 0.00 4.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.71 4.42 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 1.26 0.00 0.00 16 I 7.99 4.34 1.88 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.81 0.00 0.00 17 P 0.00 4.25 0.00 2.13 2.13 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 18 V 7.76 3.67 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 1.10 0.00 0.00 0.89 0.00 0.00 19 S 8.18 3.91 0.00 3.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.40 3.64 0.00 1.98 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 0.00 2.27 2.18 0.00 21 F 7.92 4.21 0.00 3.09 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 *23 Q 8.04 4.12 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 24 I 7.64 4.14 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 0.67 0.00 0.00 25 A 8.80 5.03 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 26 P 0.00 4.74 0.00 1.84 1.92 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 27 L 8.92 4.75 0.00 1.69 1.75 0.97 0.92 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 28 S 7.72 4.63 0.00 3.91 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 29 F 8.70 5.62 0.00 2.87 2.98 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 30 T 8.07 4.25 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 1.19 0.00 0.00 31 D 9.42 4.34 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 3.97 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 0.00 33 E 8.12 5.19 0.00 2.11 1.95 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 2.29 2.45 0.00 34 L 9.21 5.37 0.00 1.83 1.60 0.95 0.80 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 35 S 9.21 5.45 0.00 3.84 3.78 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 36 V 9.24 4.89 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 1.07 0.00 0.00 1.15 0.00 0.00 37 S 8.81 5.01 0.00 3.97 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 38 A 8.13 4.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.58 0.00 2.16 2.05 0.00 3.83 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 40 L 8.68 4.10 0.00 1.80 1.71 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.91 3.93 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 42 P 0.00 4.37 0.00 1.74 1.70 0.00 3.74 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 1.86 1.82 0.00 43 N 7.84 4.96 0.00 2.87 2.95 0.00 0.00 6.99 8.16 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 44 I 7.80 4.69 1.85 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 1.26 1.59 1.01 0.00 0.00 45 N 8.09 5.11 0.00 2.98 3.14 0.00 0.00 5.67 6.67 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 46 L 8.44 3.85 0.00 1.65 1.76 0.54 0.57 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 47 H 8.71 4.49 0.00 3.42 3.40 0.00 5.92 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.31 4.21 0.00 3.35 3.45 0.00 5.61 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 6.94 4.26 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 1.26 0.00 0.00 *51 F 7.64 4.87 0.00 3.26 3.17 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 52 A 8.30 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 5.38 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.65 4.22 0.00 4.15 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 55 I 7.75 3.69 2.28 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.72 0.93 0.00 0.00 56 Y 7.83 4.11 0.00 3.04 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 57 T 8.22 4.00 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 1.10 0.00 0.00 58 I 7.74 3.72 1.77 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 1.30 1.19 0.92 0.00 0.00 *60 T 7.85 3.95 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 61 L 7.65 3.91 0.00 1.19 0.53 0.24 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.60 4.19 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 1.27 0.00 0.00 63 G 7.87 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 64 W 8.50 4.13 0.00 3.70 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.95 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 0.00 0.00 0.00 0.00 *67 V 7.79 3.78 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 0.88 0.00 0.00 0.80 0.00 0.00 68 W 7.84 3.70 0.00 2.46 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 69 L 8.03 3.62 0.00 1.21 1.11 0.07 1.10 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 70 Q 7.36 3.59 0.00 1.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 1.31 1.16 0.00 71 Q 7.70 3.78 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 72 Q 7.52 3.56 0.00 1.66 1.67 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 1.16 1.16 0.00 73 L 7.53 3.91 0.00 1.62 1.63 0.93 0.84 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 74 L 7.30 4.22 0.00 1.46 1.63 0.90 0.95 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 75 N 7.70 4.03 0.00 2.78 2.79 0.00 0.00 6.94 7.72 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 76 V 7.68 4.42 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 0.75 0.00 0.00 0.89 0.00 0.00 77 D 8.16 4.88 0.00 2.64 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 78 G 8.08 4.12 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 0.00 79 D 9.23 4.82 0.00 2.86 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 80 I 8.53 4.78 1.64 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.89 0.00 0.00 81 V 9.08 4.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.08 0.00 0.00 82 L 8.93 4.17 0.00 1.65 1.61 0.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.88 4.54 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 84 D 7.69 4.79 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.23 4.87 0.98 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 86 H 8.83 4.91 0.00 3.09 2.99 0.00 5.73 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 87 I 8.20 4.94 2.06 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 0.57 1.04 0.97 0.00 0.00 88 R 8.73 4.58 0.00 1.64 1.73 0.00 3.20 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 1.42 1.36 0.00 89 Y 8.73 4.63 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 90 L 8.97 4.48 0.00 1.60 1.71 0.87 0.91 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 91 A 7.65 4.66 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 92 P 0.00 4.31 0.00 2.07 2.00 0.00 3.68 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 2.02 2.06 0.00 93 V 8.27 4.17 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 0.90 0.00 0.00 0.98 0.00 0.00 94 T 8.34 4.43 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 95 S 7.57 4.39 0.00 3.97 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.91 4.11 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 97 P 0.00 4.87 0.00 2.14 2.11 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 98 E 9.43 4.65 0.00 2.00 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 2.27 2.27 0.00 99 V 9.00 4.84 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 0.78 0.00 0.00 0.96 0.00 0.00 100 K 9.38 5.47 0.00 1.90 1.77 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.52 7.81 101 V 8.77 4.94 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 1.06 0.00 0.00 1.10 0.00 0.00 102 R 8.63 5.19 0.00 1.91 1.92 0.00 3.29 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 1.60 1.70 0.00 103 W 9.23 4.58 0.00 3.46 3.09 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 0.00 104 P 0.00 4.44 0.00 1.95 1.93 0.00 3.02 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.80 0.00 105 D 6.74 4.37 0.00 2.74 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 0.00 106 T 6.20 3.74 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 1.18 0.00 0.00 107 N 8.61 4.56 0.00 2.69 2.75 0.00 0.00 6.99 7.78 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 0.00 108 L 8.52 4.65 0.00 1.79 1.69 0.93 1.04 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 0.00 109 S 8.05 4.74 0.00 4.05 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 0.00 110 P 0.00 4.26 0.00 2.20 2.17 0.00 3.72 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 2.14 2.21 0.00 111 L 7.87 4.32 0.00 1.83 1.71 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.18 4.32 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 113 R 7.83 4.60 0.00 1.98 1.92 0.00 3.30 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 114 G 7.92 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 0.00 0.00 0.00 0.00 115 R 8.02 4.90 0.00 1.77 1.81 0.00 3.30 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 1.54 1.68 0.00 116 K 8.69 4.47 0.00 1.79 1.84 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.47 7.81 117 A 9.08 4.84 1.26 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 0.00 0.00 118 K 8.72 5.00 0.00 1.66 1.77 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.44 7.81 119 V 9.27 4.32 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 1.03 0.00 0.00 1.09 0.00 0.00 120 K 8.75 4.97 0.00 1.80 1.69 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.46 7.81 121 L 9.25 5.01 0.00 1.90 1.68 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.90 5.15 0.00 1.99 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 2.25 2.32 0.00 123 V 9.21 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 1.00 0.00 0.00 124 Q 9.18 5.02 0.00 2.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 125 L 8.33 5.10 0.00 1.60 1.35 0.89 0.77 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 0.00 126 F 9.47 5.42 0.00 3.01 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 0.00 127 C 8.87 4.85 0.00 2.98 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 0.00 128 D 9.95 4.43 0.00 2.91 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 0.00 129 G 8.67 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 0.00 0.00 0.00 130 K 7.91 4.61 0.00 1.85 1.86 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.39 7.81 131 L 8.70 3.95 0.00 1.59 1.55 0.30 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.90 4.83 0.00 2.82 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 0.00 133 A 7.41 4.91 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 0.00 134 Q 8.85 4.83 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 135 F 9.17 5.28 0.00 2.95 2.84 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 0.00 136 D 8.50 5.15 0.00 2.44 2.41 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 0.00 137 G 9.15 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.68 5.09 0.00 1.71 1.68 0.95 0.93 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 0.00 139 Y 9.49 5.11 0.00 3.04 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 0.00 140 V 9.04 4.86 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 1.09 0.00 0.00 0.98 0.00 0.00 141 S 9.36 5.27 0.00 3.91 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 0.00 142 V 8.51 4.43 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 0.70 0.00 0.00 1.06 0.00 0.00 143 P 0.00 4.91 0.00 2.18 2.14 0.00 3.42 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.