NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 F 4.5395 8.3244 119.0075 56.5152 39.7440 174.3436 4 L 4.2945 8.1031 127.3777 51.5819 44.2854 173.2749 *6 K 4.0737 8.9814 119.6575 56.3204 33.8017 174.6372 7 I 4.5399 8.1275 125.2812 59.5687 39.6253 175.8055 8 S 4.3624 8.7018 119.8041 60.7237 63.6690 173.3945 9 H 4.4630 7.3516 112.9055 54.5676 30.2714 172.3757 10 L 4.2669 8.4171 121.9959 54.3706 42.7922 175.4474 11 D 4.6413 8.6970 126.2479 57.1084 42.3812 175.0472 12 H 5.4466 7.8238 109.9725 55.8515 31.4252 171.8864 13 L 4.8007 8.3396 117.3320 54.5018 44.2413 174.6667 14 V 4.8229 8.3452 119.2516 61.2372 33.4066 174.4490 15 L 4.7178 8.7665 128.0316 53.5465 43.9845 175.4632 16 T 4.9616 8.4245 120.0378 62.4361 70.3683 174.1992 17 V 4.7704 8.8146 119.2683 59.2113 35.4593 176.9397 18 A 3.9461 9.4052 126.5229 54.9676 18.6272 178.5117 19 D 4.6009 7.7184 115.5070 52.0250 43.7885 175.5026 20 I 3.7211 9.0267 129.6937 64.1848 37.2558 176.7003 21 P 4.4307 0.0000 0.0000 65.2780 31.1567 178.8226 22 T 3.9579 8.2233 114.5859 66.9489 68.3312 176.9426 23 T 4.0917 8.1023 117.9417 66.7732 68.5453 176.8848 24 T 4.0171 8.4957 112.1944 64.9424 68.8097 176.5826 25 K 4.0939 8.2320 121.6992 58.9128 32.0649 178.9866 26 F 3.9815 8.3414 120.7661 61.7566 39.5031 176.9368 27 Y 4.0975 8.6418 116.3649 60.7950 37.4769 178.3260 28 E 4.0120 8.6438 119.9622 59.4246 29.4100 179.6124 29 K 3.9818 7.8160 116.9826 59.4470 32.2771 179.3472 30 V 3.6591 7.7035 117.4979 64.5133 31.5172 176.4632 31 L 4.5119 7.4635 114.6480 53.5178 42.7693 174.8392 32 G 3.4263 7.5646 110.4592 45.1454 0.0000 171.2733 *34 K 4.1231 7.8324 122.9618 56.3512 33.9912 173.8496 35 A 4.9185 9.2812 130.5806 51.7284 19.2372 176.9087 36 V 4.6117 9.0593 115.6564 59.6399 36.2267 175.0763 37 S 5.2577 8.7011 119.0073 58.0546 64.3379 173.3008 38 F 4.7266 8.8211 117.4407 55.8213 41.4097 174.7990 39 G 3.6760 8.8186 107.3154 47.1405 0.0000 176.1122 40 S 4.3368 8.4846 113.1472 57.3498 60.9494 173.6310 41 G 3.8275 8.1707 113.8504 46.0538 0.0000 171.3726 42 R 4.3602 7.2777 118.0678 54.4667 32.7467 175.5100 43 I 5.2931 7.9623 119.8072 59.7243 41.1521 174.5481 44 A 5.2945 9.4020 126.7740 50.2839 23.4179 174.6127 45 L 5.1359 8.9719 119.4948 53.1766 43.9362 175.8286 46 E 4.9172 9.2478 124.9317 55.2366 30.9665 176.2415 47 F 4.9264 8.3495 117.5795 56.6595 42.1362 174.3435 48 G 4.0953 8.3686 112.7805 47.6376 0.0000 173.7298 49 H 4.9261 8.6703 117.1950 55.3472 29.4160 172.9649 50 Q 4.7879 7.7838 118.3291 54.2856 33.5274 174.0844 51 K 4.7570 8.1881 117.4327 56.1803 36.6803 174.8561 52 I 4.9306 8.7413 122.1091 59.7054 39.4789 174.9308 53 N 5.0014 9.1932 125.7421 52.8488 39.9399 174.1688 54 L 5.1559 8.5338 122.9127 53.2934 44.1476 175.4732 55 H 4.8459 9.0075 122.5702 54.2450 33.4177 171.9021 56 Q 4.5606 8.2935 126.7550 54.9197 30.2981 174.7075 57 L 4.0375 8.5942 129.0254 57.1319 42.4121 176.8421 58 G 4.0785 9.0322 114.2056 45.7168 0.0000 173.4348 59 H 4.5751 7.6814 116.3196 55.2600 29.3380 174.9795 60 E 4.2675 8.6955 122.8995 56.2387 29.7305 176.3171 61 F 4.7619 8.4136 124.7388 56.9715 42.5117 172.9898 62 E 4.6247 7.1261 125.4069 54.0394 33.2978 173.4267 63 P 4.7058 0.0000 0.0000 61.7481 33.0106 174.5778 64 K 4.6173 8.0231 116.4177 55.1854 35.5253 175.4913 65 A 4.1360 8.4840 120.9754 52.4911 18.7937 177.5425 66 Q 4.1405 8.8461 121.9388 58.7544 29.3641 176.8930 67 N 4.9287 7.6135 114.7788 50.4325 38.4937 173.2540 68 V 3.6682 7.7227 119.7857 62.9985 32.5187 175.6246 69 R 4.4963 8.1679 125.9882 55.1946 32.7075 174.5745 70 T 4.3117 7.9321 115.6865 62.4498 69.3632 174.1579 71 G 4.0139 9.0102 110.7365 46.8269 0.0000 174.0834 72 S 4.5191 8.1545 111.0782 57.6507 63.8159 173.4260 73 A 4.6771 8.3517 123.9825 51.1464 21.5449 176.5637 74 D 4.8784 8.3966 119.1964 53.2874 42.9804 174.0976 75 L 4.6594 9.0749 126.0484 52.5971 45.6423 175.2646 76 C 4.9327 8.1726 121.9600 57.6306 33.7624 172.8022 77 F 4.9592 9.0777 125.3668 55.8021 41.5061 174.7226 78 I 4.7654 8.4457 123.0224 60.4714 38.3847 174.9471 79 T 4.7127 8.7063 121.3540 60.5987 69.3393 173.8172 80 D 4.6946 8.7806 125.4804 54.8905 41.7177 177.1087 81 I 3.9465 7.3864 120.8357 60.3322 37.8731 175.3672 82 D 4.3576 8.7604 122.8904 54.7514 41.4087 177.2787 83 L 4.1106 8.7287 128.3981 58.1730 42.4689 178.1761 84 S 4.2499 8.1913 112.1942 61.3190 63.5311 175.1892 85 D 4.3959 8.6774 120.9668 57.2038 40.7863 179.0652 86 A 4.2087 8.2891 118.9607 53.0561 18.1935 178.5975 *88 E 4.0900 8.2900 121.5603 57.8001 31.4173 177.2887 89 Y 3.9410 8.1364 118.0351 60.7724 39.0987 177.9848 90 V 3.4678 7.9696 119.0945 66.0021 31.5300 177.7122 91 E 4.0151 7.9194 117.7373 59.5348 29.1292 178.7549 92 N 4.3370 7.6864 114.6819 55.2079 38.6721 176.4336 93 Q 4.0809 7.2628 118.1137 55.7982 29.0288 176.6280 94 G 3.8429 7.8552 108.9599 45.0589 0.0000 173.9141 95 V 3.7394 7.1142 119.2307 62.0602 32.1665 175.5234 96 V 3.8187 8.2764 127.0275 62.4785 31.8265 175.9540 97 I 4.4192 8.0245 128.4729 60.2067 39.1000 174.3224 *99 E 4.1199 8.3320 120.3373 56.4748 30.2230 173.5928 100 G 4.6491 8.4810 109.2889 42.7410 0.0000 171.1568 101 P 4.9794 0.0000 0.0000 62.5121 32.4518 175.8986 102 V 4.6659 8.7804 115.0617 59.4207 36.3949 174.7411 103 K 4.6383 8.6709 122.9369 56.6969 32.8666 176.5246 104 R 4.7430 9.1210 123.3048 55.2250 35.2303 173.2720 105 T 4.6984 8.5682 115.7891 62.3333 70.3938 175.0658 106 G 3.9541 8.9870 115.9739 43.4300 0.0000 174.0665 107 A 4.0946 8.7449 121.3297 54.6805 18.3111 178.5651 108 Q 4.5106 9.3676 112.3487 54.9907 29.5589 175.4106 109 G 3.8603 7.5090 104.5457 43.6775 0.0000 172.9810 110 A 4.6743 8.4856 122.2750 52.2613 18.9870 177.4173 111 I 4.5887 8.7570 114.4502 59.3054 41.9420 174.1142 112 T 5.0789 8.4804 118.9143 62.0000 71.1078 173.8851 113 S 5.2519 9.2142 121.4276 56.6347 67.4997 172.9156 114 F 5.5795 8.5338 116.2125 55.4599 41.5503 173.1579 115 Y 5.2918 9.0351 116.8189 56.5841 41.3572 174.7508 116 F 5.0772 8.5757 116.4025 56.4879 42.0292 172.7405 117 R 5.2371 8.7792 117.8094 54.5918 32.5594 176.5199 118 D 3.9313 8.4074 121.9622 51.2853 41.1875 175.4412 119 P 4.0856 0.0000 0.0000 65.1565 31.2631 177.1705 120 D 4.5595 8.5366 116.6438 54.0363 41.2555 177.8209 121 G 4.0540 8.1319 108.0882 44.7060 0.0000 173.6607 122 N 4.5554 8.0740 117.2963 53.3424 40.0490 173.6540 123 L 4.5847 8.7652 125.2324 54.4526 43.7320 175.2089 124 I 4.6694 8.6040 127.8795 59.3949 39.8264 174.0542 125 E 4.4191 8.9318 128.9491 54.1793 31.7938 174.4467 126 V 4.6426 7.6528 127.3814 61.3375 33.6689 174.7259 127 S 5.1402 8.8862 122.4997 57.5002 68.0864 172.5952 128 T 4.9219 8.5521 114.5505 60.9949 70.5787 174.1044 129 Y 4.2515 8.7940 122.5707 59.0475 38.7109 176.6070 130 S 4.2622 7.9471 116.4608 58.7391 63.5317 173.8716 131 N 4.5250 8.6434 120.8693 53.7969 38.7269 174.6427 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 *3 F 8.32 4.54 0.00 2.32 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 0.00 0.00 0.00 0.00 4 L 8.10 4.29 0.00 1.65 1.62 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *6 K 8.98 4.07 0.00 1.78 1.73 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 7 I 8.13 4.54 1.86 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 1.04 0.92 0.00 0.00 8 S 8.70 4.36 0.00 4.04 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 9 H 7.35 4.46 0.00 3.23 3.26 0.00 5.52 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.42 4.27 0.00 1.60 1.64 0.93 1.19 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 11 D 8.70 4.64 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.82 5.45 0.00 3.23 3.14 0.00 5.16 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.34 4.80 0.00 1.75 1.77 0.96 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.35 4.82 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 0.85 0.00 0.00 0.95 0.00 0.00 15 L 8.77 4.72 0.00 1.62 1.56 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.42 4.96 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 1.28 0.00 0.00 17 V 8.81 4.77 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 0.71 0.00 0.00 0.93 0.00 0.00 18 A 9.41 3.95 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 19 D 7.72 4.60 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.03 3.72 1.97 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 1.52 0.40 0.93 0.00 0.00 21 P 0.00 4.43 0.00 2.29 2.13 0.00 4.07 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 22 T 8.22 3.96 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 23 T 8.10 4.09 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 24 T 8.50 4.02 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 25 K 8.23 4.09 0.00 2.07 1.96 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.63 7.81 26 F 8.34 3.98 0.00 3.20 3.25 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 27 Y 8.64 4.10 0.00 3.24 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 28 E 8.64 4.01 0.00 2.11 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 2.40 2.63 0.00 29 K 7.82 3.98 0.00 1.67 1.74 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 30 V 7.70 3.66 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 0.31 0.00 0.00 -0.00 0.00 0.00 31 L 7.46 4.51 0.00 1.79 1.50 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.56 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 K 7.83 4.12 0.00 1.91 1.79 0.00 1.73 0.00 0.00 2.02 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 35 A 9.28 4.92 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 36 V 9.06 4.61 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 0.88 0.00 0.00 1.12 0.00 0.00 37 S 8.70 5.26 0.00 3.78 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 38 F 8.82 4.73 0.00 3.06 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 39 G 8.82 3.68 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 0.00 0.00 0.00 40 S 8.48 4.34 0.00 3.84 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 41 G 8.17 3.83 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 0.00 42 R 7.28 4.36 0.00 0.67 1.06 0.00 3.08 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 43 I 7.96 5.29 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.32 0.97 0.00 0.00 44 A 9.40 5.29 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 45 L 8.97 5.14 0.00 1.56 1.65 0.68 1.08 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 46 E 9.25 4.92 0.00 1.81 1.83 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 2.22 2.24 0.00 47 F 8.35 4.93 0.00 3.17 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 48 G 8.37 4.10 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 0.00 0.00 0.00 49 H 8.67 4.93 0.00 3.05 3.21 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 7.78 4.79 0.00 1.07 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 51 K 8.19 4.76 0.00 1.74 1.66 0.00 0.99 0.00 0.00 1.35 0.00 0.00 2.42 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.14 1.26 7.81 52 I 8.74 4.93 1.89 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 1.43 1.13 0.87 0.00 0.00 53 N 9.19 5.00 0.00 2.66 2.79 0.00 0.00 6.42 7.19 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 54 L 8.53 5.16 0.00 1.53 1.56 0.95 0.72 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 55 H 9.01 4.85 0.00 3.05 3.06 0.00 5.77 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 56 Q 8.29 4.56 0.00 2.05 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.49 0.00 57 L 8.59 4.04 0.00 1.55 1.56 0.94 1.21 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 58 G 9.03 4.08 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 0.00 59 H 7.68 4.58 0.00 3.17 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.70 4.27 0.00 2.00 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 0.00 2.35 2.33 0.00 61 F 8.41 4.76 0.00 2.95 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 62 E 7.13 4.62 0.00 1.72 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 0.00 2.12 2.16 0.00 63 P 0.00 4.71 0.00 2.19 2.05 0.00 3.54 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 1.98 2.04 0.00 64 K 8.02 4.62 0.00 1.87 1.94 0.00 1.63 0.00 0.00 1.98 0.00 0.00 3.24 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.47 7.81 65 A 8.48 4.14 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 66 Q 8.85 4.14 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.17 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 67 N 7.61 4.93 0.00 2.71 2.72 0.00 0.00 6.82 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.72 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 69 R 8.17 4.50 0.00 1.75 1.75 0.00 3.35 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 70 T 7.93 4.31 4.40 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 1.28 0.00 0.00 71 G 9.01 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 0.00 0.00 0.00 72 S 8.15 4.52 0.00 3.98 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 73 A 8.35 4.68 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 74 D 8.40 4.88 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.07 4.66 0.00 1.24 0.80 0.99 0.46 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 76 C 8.17 4.93 0.00 2.89 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 77 F 9.08 4.96 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.45 4.77 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 1.08 0.00 0.00 79 T 8.71 4.71 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 1.30 0.00 0.00 80 D 8.78 4.69 0.00 2.72 2.71 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 81 I 7.39 3.95 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.90 0.00 0.00 82 D 8.76 4.36 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.73 4.11 0.00 1.70 1.76 1.10 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.19 4.25 0.00 3.99 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 85 D 8.68 4.40 0.00 2.93 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 86 A 8.29 4.21 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 E 8.29 4.09 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 89 Y 8.14 3.94 0.00 2.95 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 90 V 7.97 3.47 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 0.45 0.00 0.00 1.11 0.00 0.00 91 E 7.92 4.02 0.00 2.10 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 2.23 0.00 92 N 7.69 4.34 0.00 2.60 2.69 0.00 0.00 7.09 7.34 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 93 Q 7.26 4.08 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.69 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 94 G 7.86 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 95 V 7.11 3.74 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 0.62 0.00 0.00 0.75 0.00 0.00 96 V 8.28 3.82 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 0.90 0.00 0.00 0.95 0.00 0.00 97 I 8.02 4.42 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 1.14 0.00 0.00 *99 E 8.33 4.12 0.00 2.05 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 2.37 2.36 0.00 100 G 8.48 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.98 0.00 2.14 2.12 0.00 3.74 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 2.01 2.02 0.00 102 V 8.78 4.67 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 0.85 0.00 0.00 1.15 0.00 0.00 103 K 8.67 4.64 0.00 1.66 1.76 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 104 R 9.12 4.74 0.00 1.59 1.80 0.00 3.33 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.96 0.00 105 T 8.57 4.70 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 1.23 0.00 0.00 106 G 8.99 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.74 4.09 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 0.00 108 Q 9.37 4.51 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 109 G 7.51 3.86 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 0.00 0.00 0.00 110 A 8.49 4.67 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 0.00 111 I 8.76 4.59 1.58 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.15 -0.05 0.00 0.00 112 T 8.48 5.08 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 1.24 0.00 0.00 113 S 9.21 5.25 0.00 3.52 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 0.00 114 F 8.53 5.58 0.00 3.31 3.11 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 0.00 115 Y 9.04 5.29 0.00 2.85 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 0.00 116 F 8.58 5.08 0.00 3.19 3.37 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 0.00 117 R 8.78 5.24 0.00 1.76 1.88 0.00 3.22 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 118 D 8.41 3.93 0.00 2.23 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 0.00 119 P 0.00 4.09 0.00 1.95 2.06 0.00 3.17 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 120 D 8.54 4.56 0.00 2.79 2.74 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 0.00 121 G 8.13 4.05 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 0.00 0.00 0.00 122 N 8.07 4.56 0.00 2.97 2.80 0.00 0.00 6.69 6.74 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 0.00 123 L 8.77 4.58 0.00 1.77 1.53 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.60 4.67 0.72 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.90 0.74 0.00 0.00 125 E 8.93 4.42 0.00 1.68 1.63 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 1.70 1.47 0.00 126 V 7.65 4.64 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.86 0.00 0.00 127 S 8.89 5.14 0.00 3.55 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.55 4.92 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 1.27 0.00 0.00 129 Y 8.79 4.25 0.00 3.03 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 0.00 130 S 7.95 4.26 0.00 3.91 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 0.00 131 N 8.64 4.53 0.00 2.71 2.70 0.00 0.00 6.89 7.56 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 * Residues marked with a * may have inaccurate shift predictions.