NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7055 8.2833 119.2039 53.0042 39.2314 174.4004 3 L 3.8075 8.2354 125.8674 57.0551 41.7985 175.8069 4 E 3.9411 8.5896 120.0786 59.2285 29.8184 178.7553 5 A 3.9544 8.4620 120.9071 54.9306 18.4504 179.3164 6 K 3.7506 8.2703 118.5118 59.7795 32.1628 178.9580 7 K 3.9009 8.1094 118.4028 59.3635 31.7527 179.4534 8 K 3.9070 7.6494 117.1583 59.4061 32.3022 179.2080 9 V 3.7811 8.0003 118.6491 66.2373 31.4985 178.0975 10 L 3.0572 7.8787 118.5375 57.4099 41.1773 179.2467 11 R 4.3273 7.8669 116.2878 57.6006 30.2301 177.9251 12 S 4.5478 7.9236 113.2319 58.3081 63.9346 174.4520 13 F 4.3827 7.7502 121.9249 57.8940 39.3132 174.7208 14 T 4.5852 7.9481 120.8502 62.4678 69.8128 173.8697 15 Y 5.0485 8.4437 121.8571 56.4571 41.9188 174.7502 16 G 4.0707 8.8330 110.4777 44.1483 0.0000 172.0221 17 L 5.0606 7.6416 118.4025 53.0525 44.5675 176.0057 18 Y 5.2000 8.9190 119.7510 56.2965 43.2092 174.1399 19 V 4.6636 8.3891 119.8550 61.1370 34.4139 173.6867 20 L 5.0662 8.7953 130.5180 53.5942 44.4646 175.1056 21 T 5.2359 8.8235 114.8864 60.3020 72.6948 172.3009 22 A 4.9429 8.5479 122.9449 51.4591 23.1885 175.3287 23 K 4.6803 8.1683 116.1802 56.4327 35.0458 175.4728 24 D 4.3713 8.9774 120.7336 53.6756 43.4252 175.4958 25 G 3.8005 8.2466 119.0828 47.2423 0.0000 174.4093 26 D 4.4845 8.7487 123.8364 55.0096 41.2981 175.6693 27 E 4.2019 8.1871 122.3109 55.5911 29.8903 175.7442 28 V 4.8266 8.1668 118.5311 59.5350 35.4449 174.7247 29 A 4.7569 8.5353 122.6546 50.4769 22.6357 175.1187 30 A 5.0836 8.9650 122.6378 50.5737 22.6148 175.8343 31 G 4.1552 8.5360 105.8175 45.3351 0.0000 172.7272 32 T 4.6179 8.2818 120.4158 63.3133 69.1842 174.6326 33 V 4.5537 9.0540 118.6743 59.7840 35.9486 175.8568 34 N 5.4000 8.4385 116.3701 51.6144 39.3688 175.3573 35 W 4.9715 7.8277 120.6442 55.7057 27.3574 174.9426 36 V 5.0345 7.7852 120.2174 61.5169 34.7831 174.2566 37 T 4.4698 8.3894 118.4617 61.1115 71.1726 172.3939 38 Q 4.5892 8.7236 127.5132 56.2523 29.6917 175.3070 39 A 4.6715 8.8294 123.6891 51.3219 20.6679 175.7824 40 S 4.2458 7.4324 107.5174 57.9734 65.2890 176.2954 41 F 4.5057 8.9176 123.2714 59.0946 39.5373 176.2594 42 Q 4.3831 7.9020 121.3228 53.3025 30.6375 172.6904 43 P 4.4941 0.0000 0.0000 61.4179 32.4423 174.3495 44 P 4.7579 0.0000 0.0000 62.7796 31.6559 174.8478 45 L 5.4072 8.4541 125.8916 52.8495 44.7861 176.1956 46 V 4.9215 8.7480 121.2311 59.7808 35.2184 174.0917 47 A 5.3145 9.3955 124.3419 50.2248 21.9711 175.2532 48 V 4.8009 8.9493 122.4460 60.9503 34.7969 174.6259 49 G 4.5495 9.5202 116.6947 45.7823 0.0000 172.7536 50 L 5.0102 8.9100 126.7826 52.1566 44.9273 176.1944 51 K 3.9486 8.5404 124.5975 56.3862 32.1021 176.6345 52 R 3.5244 8.4502 127.5089 59.2250 30.3020 177.3815 53 D 4.6991 7.5806 118.4620 52.1871 39.6835 175.8613 54 S 4.6371 7.3922 116.1094 55.9299 67.3941 174.9013 55 H 4.2020 8.7470 122.8736 59.5144 29.7035 177.5849 56 L 3.9307 7.8808 121.1639 59.0345 40.1274 178.5474 57 H 4.0182 8.2502 118.6477 58.8421 29.7901 177.0346 58 A 4.0223 7.8943 122.0797 55.2655 18.1746 179.6600 59 L 3.8786 7.8007 117.2732 57.9201 41.6634 179.9575 60 V 3.4829 7.9082 118.3458 65.9047 31.2255 177.7055 61 E 3.8261 8.1042 118.2350 59.3765 29.5712 178.6900 62 R 4.0875 7.8553 117.3003 58.5871 30.2967 178.1514 63 T 4.3094 8.1132 108.1963 60.8469 69.8672 175.7303 64 G 3.8439 8.1426 109.3626 45.8221 0.0000 172.6410 65 K 5.0215 7.3745 117.3381 54.3407 35.6201 175.5673 66 L 4.7675 8.4250 121.1837 54.9501 44.2062 173.6851 67 A 5.2561 8.8254 121.1130 50.3991 22.9249 174.9220 68 L 5.4023 8.6238 120.9882 52.7016 45.3480 174.7919 *70 T 4.6877 8.2387 114.8643 63.4671 70.0298 174.1375 71 L 4.4632 8.3111 125.5982 54.1217 42.8312 176.7475 72 A 4.6614 9.3501 125.7353 51.5291 19.2477 178.4008 73 H 4.1776 8.7355 115.9850 58.1442 28.4147 176.1920 74 D 4.8207 7.6763 117.2087 53.0846 39.5756 176.2656 75 Q 4.6727 7.9581 118.2907 55.8366 29.6406 177.9317 76 K 3.8587 8.4424 120.5055 59.9048 31.8627 177.3283 77 A 4.1244 8.0860 118.9140 55.4481 18.5566 179.2906 78 I 3.8441 7.8016 117.4215 64.5229 37.2355 178.2758 79 A 4.0697 8.2188 121.6409 55.2452 17.9185 179.4368 80 Q 3.9169 8.4140 117.5803 59.4752 28.9856 177.9772 81 D 4.3839 8.0682 119.3468 56.0224 40.7227 177.1964 82 F 4.7534 7.4340 118.2901 57.4461 39.3026 177.5658 83 F 4.4574 7.8778 121.3441 58.6756 39.6750 176.7434 84 K 4.3521 7.1447 119.6797 54.3810 32.8985 174.7926 85 P 4.3884 0.0000 0.0000 63.1864 31.7329 176.3254 86 T 4.4258 8.2886 117.6564 63.2677 69.4956 174.3936 87 V 4.2424 9.2702 127.0617 61.0408 33.9772 174.0762 88 R 4.7912 8.5555 129.1958 55.4496 31.1059 175.6023 89 E 4.5032 9.0876 125.7983 55.1532 32.6110 175.4477 90 G 3.8720 8.5376 116.3292 46.9416 0.0000 172.9372 91 D 4.4351 8.3449 116.7802 53.2472 40.3578 176.4024 92 R 5.3757 8.1354 117.2885 55.6232 34.2820 174.5777 93 L 5.0122 9.1619 121.1169 54.0942 43.8639 176.6638 94 N 4.1779 9.7714 121.9361 54.2098 36.5867 175.5948 95 G 3.8810 8.6350 104.3776 45.5592 0.0000 173.4984 96 H 4.9722 8.3231 118.3513 52.7155 30.8970 172.0492 97 P 5.1039 0.0000 0.0000 63.3403 32.1769 175.1352 98 F 5.3545 8.8362 116.5196 55.5458 41.4686 173.3023 99 E 4.5871 9.1937 117.2054 53.6742 33.2917 173.0598 100 P 4.9889 0.0000 0.0000 62.2742 32.2943 176.6873 101 S 3.8762 8.8940 119.6260 57.6929 63.5808 173.8099 102 P 4.1964 0.0000 0.0000 65.8458 31.2006 177.8614 103 T 3.9226 7.9095 114.2383 65.0509 68.7429 175.6667 104 F 4.8227 8.6598 118.2382 56.6312 39.9300 176.1680 105 G 3.8620 7.9470 108.2435 46.5472 0.0000 174.1998 106 L 4.3998 8.5639 119.5190 52.9986 43.4064 175.0995 107 P 4.6426 0.0000 0.0000 63.1402 31.9868 175.5304 108 L 4.5274 8.9057 126.2618 52.8890 44.8686 175.4111 109 L 4.8136 8.4997 127.4301 54.6811 41.8101 178.2585 110 T 4.0351 8.3829 115.8641 63.7703 68.9367 175.6598 111 E 4.1775 8.1111 121.2712 58.6494 29.9712 177.2053 112 L 4.4362 7.5214 118.8165 53.7595 42.5603 174.8553 113 P 4.2644 0.0000 0.0000 65.4557 32.0484 175.7383 114 Y 5.3775 7.5132 113.8621 55.9936 41.3444 175.1216 115 W 5.8281 8.5205 118.6695 55.4712 32.2655 173.4320 116 L 5.2242 9.3585 120.1951 54.7127 44.0209 174.2106 117 E 5.3888 9.5966 119.8975 54.8545 32.7133 175.0460 118 A 5.2400 9.2297 124.2635 50.5575 23.5249 174.4488 119 E 4.9549 8.8445 119.5120 54.2326 32.0610 175.9845 120 V 3.8035 8.6411 125.4797 63.6010 31.5354 175.4055 121 R 4.4338 8.8788 126.7357 57.7806 32.0343 176.3858 122 H 4.6627 7.6552 113.5798 53.9778 33.6251 172.6865 123 L 4.7411 8.0428 122.8302 53.6750 44.4419 175.5882 124 Y 4.8808 8.7612 126.9004 55.6592 38.8507 173.7150 125 P 4.6890 0.0000 0.0000 62.8641 32.6614 177.0481 126 G 3.8739 9.7511 110.9669 45.8203 0.0000 173.0478 127 G 3.9700 8.5528 118.5469 46.5272 0.0000 173.8026 128 D 4.6119 8.7371 122.0317 54.4902 40.1066 175.0324 129 H 5.6111 8.2033 117.0644 54.3767 33.6808 172.1493 130 S 5.1975 9.3109 114.3669 57.0319 67.1594 173.9105 131 L 4.9186 9.1712 124.1951 53.5129 42.9627 175.8488 132 V 4.1770 8.8989 126.3347 61.9129 32.9339 174.8163 133 V 4.8013 8.8327 129.0417 61.3241 33.1841 174.2570 134 A 5.1829 8.8480 129.3378 50.0604 23.0054 173.8221 135 E 4.8830 8.9875 121.3215 54.4219 31.5819 175.5319 136 V 4.2710 8.7453 128.3359 63.4567 31.6565 175.9413 137 V 4.4262 8.6670 120.3770 61.1950 33.3198 175.0996 138 E 4.8675 8.0157 118.8994 55.9066 32.7214 173.9195 139 A 4.3903 9.2517 125.0882 51.0975 22.8699 175.7245 140 G 3.5673 7.0439 105.0909 44.5506 0.0000 172.6806 141 V 4.5711 7.9498 120.8129 59.8241 32.9429 175.6441 142 R 4.3358 9.0022 126.2883 58.5892 30.6361 177.0669 143 R 4.3608 7.2902 111.3621 55.5232 31.5459 173.4120 144 E 4.5935 8.2943 118.7704 54.8573 31.0794 175.4685 145 E 4.8926 8.5647 119.3599 55.3288 32.7776 175.9962 146 K 4.2798 8.0449 121.9040 55.9846 33.2823 174.7183 147 P 5.0040 0.0000 0.0000 62.3040 33.0200 175.1096 148 L 4.2530 8.7564 122.9510 54.6956 42.8754 175.7661 149 V 4.3548 8.1277 129.4450 61.8202 33.6056 175.3559 *151 W 4.7291 8.5284 124.5374 57.8253 32.1600 178.1849 152 D 4.6622 8.2042 116.5674 57.0740 40.3682 177.7109 153 T 3.5756 7.7353 108.2548 62.2909 69.1564 175.8345 154 G 3.6301 7.5934 109.9460 44.7863 0.0000 173.5130 155 W 4.7534 7.3086 119.4948 56.2277 30.2101 174.8649 156 F 4.9659 7.7927 112.3650 57.1641 39.2817 173.9083 157 Y 4.3942 7.9448 122.1504 58.3746 38.9573 173.7454 158 G 4.2051 8.8505 115.9474 45.1191 0.0000 170.9812 159 G 3.9518 8.7072 107.3311 45.7893 0.0000 174.0133 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 N 8.28 4.71 0.00 2.74 2.80 0.00 0.00 7.08 5.78 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 3 L 8.24 3.81 0.00 1.77 1.70 0.91 0.64 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 4 E 8.59 3.94 0.00 2.12 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 2.39 2.31 0.00 5 A 8.46 3.95 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 6 K 8.27 3.75 0.00 1.79 2.01 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.46 7.81 7 K 8.11 3.90 0.00 1.95 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.76 7.81 8 K 7.65 3.91 0.00 1.99 1.87 0.00 1.56 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 9 V 8.00 3.78 2.19 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 1.12 0.00 0.00 1.02 0.00 0.00 10 L 7.88 3.06 0.00 1.56 1.40 0.79 0.31 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 11 R 7.87 4.33 0.00 1.97 1.97 0.00 3.41 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 12 S 7.92 4.55 0.00 4.13 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 13 F 7.75 4.38 0.00 3.04 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 14 T 7.95 4.59 4.15 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 1.24 0.00 0.00 15 Y 8.44 5.05 0.00 3.16 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 16 G 8.83 4.07 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 0.00 0.00 0.00 17 L 7.64 5.06 0.00 1.49 1.55 1.24 1.20 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 18 Y 8.92 5.20 0.00 2.85 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 19 V 8.39 4.66 1.89 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 0.40 0.00 0.00 0.73 0.00 0.00 20 L 8.80 5.07 0.00 1.71 1.42 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.82 5.24 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 1.06 0.00 0.00 22 A 8.55 4.94 1.15 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 0.00 0.00 23 K 8.17 4.68 0.00 1.92 1.69 0.00 1.57 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.38 7.81 24 D 8.98 4.37 0.00 2.66 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 25 G 8.25 3.80 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 0.00 0.00 0.00 26 D 8.75 4.48 0.00 2.69 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 27 E 8.19 4.20 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 28 V 8.17 4.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.83 0.00 0.00 29 A 8.54 4.76 0.92 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 0.00 0.00 30 A 8.97 5.08 1.02 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 31 G 8.54 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 32 T 8.28 4.62 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 0.93 0.00 0.00 33 V 9.05 4.55 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 0.75 0.00 0.00 0.98 0.00 0.00 34 N 8.44 5.40 0.00 2.87 2.94 0.00 0.00 6.44 8.88 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 35 W 7.83 4.97 0.00 3.34 3.15 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 36 V 7.79 5.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.88 0.00 0.00 37 T 8.39 4.47 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 1.24 0.00 0.00 38 Q 8.72 4.59 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.07 2.45 0.00 39 A 8.83 4.67 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 40 S 7.43 4.25 0.00 3.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.92 4.51 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 4.38 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 43 P 0.00 4.49 0.00 2.34 2.09 0.00 3.85 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 2.01 1.98 0.00 44 P 0.00 4.76 0.00 2.16 2.31 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 45 L 8.45 5.41 0.00 1.53 1.58 0.95 0.94 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 46 V 8.75 4.92 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 0.81 0.00 0.00 0.91 0.00 0.00 47 A 9.40 5.31 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 48 V 8.95 4.80 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 1.04 0.00 0.00 0.89 0.00 0.00 49 G 9.52 4.55 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 0.00 0.00 0.00 50 L 8.91 5.01 0.00 1.68 1.61 0.89 0.89 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 51 K 8.54 3.95 0.00 1.57 1.63 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.48 7.81 52 R 8.45 3.52 0.00 1.80 1.88 0.00 3.50 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 53 D 7.58 4.70 0.00 2.63 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 S 7.39 4.64 0.00 3.98 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 55 H 8.75 4.20 0.00 3.19 3.30 0.00 5.69 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 56 L 7.88 3.93 0.00 1.90 1.84 0.90 0.55 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0.00 0.00 0.00 0.00 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 F 7.88 4.46 0.00 3.00 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 84 K 7.14 4.35 0.00 1.84 1.70 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.37 7.81 85 P 0.00 4.39 0.00 2.02 1.98 0.00 3.64 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 2.01 2.10 0.00 86 T 8.29 4.43 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 1.20 0.00 0.00 87 V 9.27 4.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 88 R 8.56 4.79 0.00 1.82 1.83 0.00 3.22 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 89 E 9.09 4.50 0.00 2.04 1.84 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 2.23 2.24 0.00 90 G 8.54 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 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0.00 3.53 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 108 L 8.91 4.53 0.00 1.74 1.26 0.72 -1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.50 4.81 0.00 1.60 1.62 0.25 0.71 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 0.00 110 T 8.38 4.04 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 1.18 0.00 0.00 111 E 8.11 4.18 0.00 2.05 2.10 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 2.36 2.40 0.00 112 L 7.52 4.44 0.00 1.77 1.80 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.26 0.00 1.66 1.87 0.00 3.91 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 114 Y 7.51 5.38 0.00 2.90 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 0.00 115 W 8.52 5.83 0.00 3.46 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.76 4.88 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.69 0.00 2.14 2.12 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 126 G 9.75 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 0.00 0.00 0.00 127 G 8.55 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 0.00 128 D 8.74 4.61 0.00 2.97 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 0.00 129 H 8.20 5.61 0.00 3.34 3.55 0.00 5.75 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 9.31 5.20 0.00 3.89 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 0.00 131 L 9.17 4.92 0.00 1.76 1.80 0.98 0.88 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 0.00 132 V 8.90 4.18 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 0.94 0.00 0.00 0.93 0.00 0.00 133 V 8.83 4.80 2.07 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 1.05 0.00 0.00 1.14 0.00 0.00 134 A 8.85 5.18 1.22 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 0.00 0.00 135 E 8.99 4.88 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 136 V 8.75 4.27 2.10 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 0.83 0.00 0.00 0.94 0.00 0.00 137 V 8.67 4.43 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 0.81 0.00 0.00 1.11 0.00 0.00 138 E 8.02 4.87 0.00 2.07 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 2.38 2.54 0.00 139 A 9.25 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.04 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.57 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 0.75 0.00 0.00 0.85 0.00 0.00 142 R 9.00 4.34 0.00 1.68 2.04 0.00 3.48 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 143 R 7.29 4.36 0.00 1.80 1.79 0.00 2.99 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.59 0.00 144 E 8.29 4.59 0.00 2.01 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 2.29 2.26 0.00 145 E 8.56 4.89 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 146 K 8.04 4.28 0.00 1.85 1.69 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 147 P 0.00 5.00 0.00 2.12 2.09 0.00 3.85 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 2.01 1.97 0.00 148 L 8.76 4.25 0.00 2.01 1.62 0.98 1.34 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 0.00 149 V 8.13 4.35 2.39 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 1.06 0.00 0.00 0.99 0.00 0.00 *151 W 8.53 4.73 0.00 3.56 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.20 4.66 0.00 2.91 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 0.00 153 T 7.74 3.58 2.91 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 1.06 0.00 0.00 154 G 7.59 3.63 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 0.00 0.00 0.00 155 W 7.31 4.75 0.00 3.54 2.88 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 0.00 156 F 7.79 4.97 0.00 3.22 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 0.00 157 Y 7.94 4.39 0.00 2.80 2.90 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 0.00 158 G 8.85 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 0.00 0.00 0.00 0.00 159 G 8.71 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 * Residues marked with a * may have inaccurate shift predictions.