NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1994 8.3444 118.8208 54.2409 30.8533 174.1919 4 V 4.2065 7.6573 119.1256 59.0446 33.7051 173.9792 5 S 4.3626 8.4390 123.1358 58.0887 63.7897 174.5711 6 T 4.1145 8.4153 116.0019 63.1614 69.1300 174.2204 7 E 4.7870 7.9050 119.4386 53.7635 32.4338 175.4035 8 F 4.1652 8.7609 122.7884 58.3048 40.0581 174.7674 9 I 4.1995 6.9069 127.0305 58.4195 39.1244 173.4218 10 P 4.1990 0.0000 0.0000 63.2971 31.7556 176.1682 11 T 4.7587 8.7489 112.9335 60.2426 72.2998 173.3060 12 R 4.9201 8.7058 122.0780 55.0748 31.7859 175.5010 13 I 4.9332 8.8900 125.2381 59.2377 40.6277 174.5121 14 A 4.6846 8.5431 127.7562 49.8610 21.8044 175.1824 15 I 4.8422 8.0074 121.7763 59.2972 40.5341 174.2568 16 L 5.3398 9.4669 129.4558 53.7309 44.4908 174.9263 17 T 4.8960 8.8903 123.3107 62.1229 70.9877 173.9126 18 V 4.6764 8.6616 126.5590 61.6514 33.3781 174.3212 19 S 4.6323 9.0130 122.8737 57.2282 65.5485 175.1598 20 N 4.4499 9.1000 124.4057 55.4870 38.7359 176.0986 21 R 4.5117 7.7531 114.4345 56.6223 32.8556 176.3755 22 R 4.2758 7.6351 116.5103 55.2954 30.7290 176.2939 23 G 4.2987 8.2979 111.2730 43.6343 0.0000 173.2245 24 E 4.0318 8.7916 117.4183 59.3261 29.6615 179.3206 25 E 4.0920 8.3810 116.0777 58.6504 29.4896 177.1896 26 D 4.9142 7.9029 118.7600 52.5402 40.4688 175.4881 27 D 4.7838 7.5851 119.3312 54.3108 38.1268 175.4141 28 T 3.8866 7.6336 120.7666 66.5361 68.8556 176.1709 29 S 4.3910 8.0808 116.7029 61.3055 62.9723 176.6886 30 G 4.0721 8.1914 109.3417 47.6670 0.0000 175.2077 31 H 4.1962 8.5036 119.0552 58.6688 28.6226 177.1783 32 Y 4.0040 8.1464 121.2180 60.7563 38.5983 178.3327 33 L 3.2982 7.9872 119.8061 57.3613 41.6147 179.4672 34 R 3.6332 7.9459 118.7546 59.5338 29.9887 178.2592 35 D 4.1982 8.0820 118.9575 57.4920 40.7654 179.1413 36 S 3.7671 7.5567 115.5223 61.0642 62.5969 176.5834 37 A 3.7886 7.1764 123.4311 55.1801 18.1028 179.6930 38 Q 4.0838 8.0239 116.6569 59.2815 28.5791 178.8631 39 E 3.9185 8.1547 118.3566 59.3822 29.6162 178.8409 40 A 4.1980 7.8742 118.5108 52.9883 18.6965 178.1974 41 G 3.9448 8.0092 105.6336 45.0944 0.0000 173.4494 42 H 4.6823 7.9330 116.8254 55.6067 30.4686 174.3505 43 H 4.8465 9.0070 116.6322 54.2705 31.0428 174.2410 44 V 4.4061 8.4448 124.8151 62.1751 30.7657 175.7312 45 V 4.0103 8.5666 122.5082 62.9401 32.4491 175.8523 46 D 4.6828 7.5622 118.1123 53.4567 44.6064 173.7560 47 K 5.2407 8.5520 122.0965 55.4796 35.2873 174.5148 48 A 4.9024 9.4324 127.1255 50.7930 23.3337 174.7636 49 I 4.9914 8.3478 119.3292 59.6907 40.0679 175.5933 50 V 4.5968 8.6929 118.8765 59.2277 36.1713 175.3793 51 K 4.7936 8.3728 121.6488 55.2027 33.2957 178.1777 52 E 4.3811 8.3195 121.4343 55.4084 27.4091 175.4293 53 N 4.8672 7.7356 118.8994 50.5222 42.4945 175.2007 54 R 3.7565 8.3153 122.8877 59.4374 29.4087 178.5665 55 Y 4.0258 7.1284 116.7685 60.6233 38.1200 177.5954 56 A 3.9820 8.5582 121.9173 55.1940 18.4092 179.7742 57 I 3.5549 7.5230 117.7302 64.7137 37.1908 178.9092 58 R 3.8305 8.1095 118.7354 59.0122 29.9132 179.0966 59 A 3.8820 8.0661 120.5958 55.2058 18.5811 179.5525 60 Q 3.4178 7.6555 117.6876 59.1763 29.0975 178.5103 61 V 3.6369 7.7363 119.4098 65.9808 31.5278 178.2156 62 S 4.2094 8.2726 115.0213 61.2666 62.5556 176.4406 63 A 3.9503 7.6924 123.0767 55.0921 17.9182 179.8205 64 W 4.4225 7.6297 115.7579 59.7923 29.1472 178.4688 65 I 3.9075 8.2350 119.3273 64.5747 36.7410 178.0602 66 A 4.2250 7.9032 119.5127 53.2419 18.5196 178.0108 67 S 4.3605 7.0024 111.3974 58.3431 63.6419 174.4573 68 D 4.5159 8.6551 121.3366 56.4889 40.8828 177.2574 69 D 4.6433 7.9228 116.5573 53.6022 40.8881 176.5633 70 V 3.8266 7.6039 120.4790 62.3678 32.0964 175.1472 71 Q 4.4292 8.7772 126.0689 56.8154 30.9773 175.9846 72 V 4.7011 7.3889 117.9332 60.9769 35.3656 174.0884 73 V 4.6651 9.0605 127.8071 61.1281 33.9289 173.9284 74 L 5.1163 8.8394 128.4182 53.1644 43.5522 175.4946 75 I 5.1181 8.8327 124.4409 59.7149 40.7151 174.4299 76 T 4.7072 9.1140 120.5352 61.1535 70.1746 173.3840 77 G 4.1309 9.0128 115.3894 46.8975 0.0000 173.5225 78 G 3.8649 9.0429 108.2859 46.0868 0.0000 174.6443 79 T 4.5226 7.7227 107.5963 60.9636 69.4118 175.6207 80 G 4.4683 7.8433 111.3509 45.3873 0.0000 173.6730 81 L 4.5724 8.4700 119.7800 54.5778 42.4667 176.2802 82 T 4.4777 7.7263 110.2719 59.4013 70.9431 175.0567 83 E 3.8641 8.9600 122.2210 59.4556 29.2811 178.1490 84 G 3.6837 7.4208 104.5954 46.7270 0.0000 173.2734 85 D 4.5622 7.7053 120.1280 54.1405 40.3289 175.8853 86 Q 4.7253 8.6492 120.7792 53.9707 30.6594 177.6250 87 A 3.9212 8.4689 122.5157 54.8158 18.3164 178.4962 88 P 4.1533 0.0000 0.0000 65.7590 31.5274 178.5979 89 E 3.8572 8.1649 116.6921 59.3660 29.1206 179.2426 90 A 3.9352 7.9254 120.0027 54.7567 18.7034 178.9828 91 L 4.0656 7.5137 116.8031 56.7321 42.3265 178.9298 92 L 3.0291 7.5212 119.0580 57.3649 41.4126 177.9537 93 P 4.3132 0.0000 0.0000 64.6043 31.3460 177.6275 94 L 4.3197 7.5693 116.5953 54.4278 42.3508 176.8314 95 F 4.8608 7.2995 118.5316 57.0737 39.7735 175.6062 96 D 4.5971 8.9784 125.5361 57.1468 41.0380 177.1243 97 R 4.8025 7.4920 115.7742 54.4067 34.8015 174.1468 98 E 4.3846 8.8523 122.8818 55.8635 31.1116 176.8213 99 V 4.2464 8.2313 127.0686 61.2319 30.2122 175.8658 100 E 4.2398 8.6246 125.3072 58.7012 29.6568 178.5768 101 G 3.7253 8.1763 105.3970 47.2712 0.0000 175.5348 102 F 4.3798 8.4648 123.2937 61.3871 39.4723 177.3881 103 G 3.6617 8.3224 104.8687 47.8745 0.0000 175.2298 104 E 3.9599 7.7959 119.7067 59.2434 29.6224 179.3842 105 V 3.7099 7.6826 116.8995 65.8178 31.8189 177.3678 106 F 4.1249 8.2230 120.6848 61.0822 39.0275 177.5115 107 R 4.0638 8.0637 116.6311 56.7970 29.6506 178.0015 *109 L 4.1994 7.9373 119.0864 54.3859 43.9066 179.5349 110 S 3.9008 7.9605 115.0463 61.2495 62.4948 176.3218 111 F 4.4085 8.4303 123.7351 61.4621 38.8224 177.0960 112 E 3.8223 8.0831 116.9603 58.9330 29.3917 178.2880 113 E 4.2860 7.5380 117.7329 57.5157 30.3909 177.1275 114 I 4.4422 7.9171 109.2698 59.1875 39.9276 176.1741 115 G 3.3045 7.8431 110.4661 47.1135 0.0000 176.6447 116 T 4.2995 8.3495 111.5179 63.9195 68.9362 176.3747 117 S 4.1991 7.7174 117.6443 61.1449 62.6272 175.9065 118 T 3.9286 7.9631 116.0874 64.9833 66.7411 175.6289 119 L 4.1062 8.0607 120.0445 57.1060 42.0229 178.2802 120 Q 4.3724 8.1438 116.8181 55.5308 28.9498 175.2820 121 S 5.2577 7.2769 115.8248 56.8919 66.6491 173.7465 122 R 4.8889 8.2295 118.9608 54.7684 29.3048 175.9655 123 A 4.4395 8.0936 119.8503 53.2141 19.4510 178.7514 124 V 4.7809 8.8281 117.9532 60.9304 35.1912 172.5459 125 A 5.0181 8.6497 122.8044 50.9462 23.3471 174.8777 126 G 3.1137 8.0112 105.3798 45.2004 0.0000 171.9893 127 V 4.9252 8.2257 118.7378 60.8955 34.9877 174.5355 128 A 4.8556 8.6849 128.2183 50.7459 22.4587 175.8133 129 N 4.0994 9.8800 122.8998 55.0786 38.1644 174.1286 130 K 3.8612 8.0409 110.4451 57.3839 30.2907 174.5633 131 T 4.9216 7.7866 116.1799 61.7092 70.6984 173.4980 132 L 4.4029 8.5256 129.6198 54.4516 43.6016 175.2768 133 I 4.8170 8.7625 127.2490 59.4537 40.1040 174.4470 134 L 4.5281 8.9671 127.1299 52.7435 44.5968 175.4547 135 A 5.3856 8.6283 125.7226 48.7382 22.1232 173.6674 *137 P 4.3818 0.0000 0.0000 62.0963 32.5977 177.4097 138 G 3.9250 8.5385 108.2258 48.3280 0.0000 175.3116 139 S 4.3109 7.9115 116.0581 58.5015 64.8608 175.3539 140 T 3.9283 8.4210 122.9740 65.8881 68.2807 176.6938 141 K 3.7670 8.0702 121.0222 59.5473 32.1228 178.4599 142 A 4.2118 8.3464 121.1079 55.5516 18.3220 179.3943 143 C 4.2593 8.1979 115.2798 62.8955 28.0956 176.4350 144 R 4.2586 7.9860 121.8010 59.1850 29.6741 178.6628 145 T 4.0464 8.0803 115.3534 66.6680 68.4020 176.4974 146 A 4.2507 8.5927 122.7506 54.9500 18.4238 179.4639 147 W 4.1574 8.9281 127.2692 60.9085 30.6885 178.1483 148 E 4.0119 8.7839 117.5329 58.9812 29.0888 178.2888 149 N 4.8009 8.0979 113.7158 53.3825 39.4200 175.3145 150 I 4.4769 7.3987 118.6433 63.1284 40.1596 177.6516 151 I 3.7246 8.2655 120.7320 64.3261 37.3071 178.2875 152 A 3.2247 7.1245 122.0399 54.5259 18.3734 177.0538 153 P 4.3740 0.0000 0.0000 65.8876 31.7220 178.5950 154 Q 4.1757 7.8905 116.0295 57.7309 28.8346 177.3027 155 L 4.4125 7.8003 116.4451 54.6260 42.3493 175.8632 156 D 4.7094 7.8163 120.2267 52.7440 41.3412 176.8032 157 A 4.2786 8.5473 130.5388 54.8186 18.4991 178.5211 158 R 4.5580 8.1880 112.6682 56.4368 30.6487 177.1120 159 T 4.0555 7.8832 116.2865 63.4336 68.9200 174.1020 160 R 4.7361 8.2038 124.7635 53.6895 32.4849 174.7645 161 P 4.3972 0.0000 0.0000 65.0773 31.8149 175.5665 162 C 4.5920 7.5292 111.8103 57.8152 31.8325 171.7785 163 N 5.3868 7.7630 115.6367 52.4736 39.4351 174.1438 164 F 4.1795 8.6760 116.0108 60.6174 39.5453 177.4793 165 H 3.9286 8.8860 121.1493 58.8457 29.5708 175.2396 166 P 4.3061 0.0000 0.0000 65.3060 31.1199 176.6181 167 H 4.9524 8.1027 112.1869 55.2721 29.5510 174.2690 168 L 4.4041 7.5780 119.9961 53.8043 42.4249 176.8424 169 K 3.7805 8.3563 122.8914 57.5400 32.3944 176.3559 170 K 4.3630 8.6881 126.6130 55.3948 33.1733 177.2640 171 G 3.5987 8.6432 114.8466 46.2230 0.0000 174.4428 *172 S 4.2519 8.3982 115.0468 58.1586 63.0083 174.7600 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 Q 8.34 4.20 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 4 V 7.66 4.21 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 0.87 0.00 0.00 0.97 0.00 0.00 5 S 8.44 4.36 0.00 3.86 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 6 T 8.42 4.11 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 1.21 0.00 0.00 7 E 7.91 4.79 0.00 2.07 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 2.19 2.18 0.00 8 F 8.76 4.17 0.00 2.97 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 9 I 6.91 4.20 1.40 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 1.26 0.78 0.74 0.00 0.00 10 P 0.00 4.20 0.00 1.81 1.93 0.00 3.56 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 2.04 2.26 0.00 11 T 8.75 4.76 4.18 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 1.25 0.00 0.00 12 R 8.71 4.92 0.00 1.87 1.84 0.00 3.04 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 13 I 8.89 4.93 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.82 0.81 0.00 0.00 14 A 8.54 4.68 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 4.84 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.91 0.00 0.00 16 L 9.47 5.34 0.00 2.13 1.68 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.89 4.90 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 1.29 0.00 0.00 18 V 8.66 4.68 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 0.93 0.00 0.00 0.94 0.00 0.00 19 S 9.01 4.63 0.00 3.88 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 20 N 9.10 4.45 0.00 2.76 2.87 0.00 0.00 6.84 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 21 R 7.75 4.51 0.00 1.75 1.92 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 22 R 7.64 4.28 0.00 1.80 1.95 0.00 3.09 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 23 G 8.30 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 0.00 0.00 0.00 24 E 8.79 4.03 0.00 2.04 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 2.44 2.29 0.00 25 E 8.38 4.09 0.00 2.07 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 2.29 2.38 0.00 26 D 7.90 4.91 0.00 2.78 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 27 D 7.59 4.78 0.00 2.90 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 0.00 0.00 0.00 0.00 28 T 7.63 3.89 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 29 S 8.08 4.39 0.00 3.90 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 30 G 8.19 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 31 H 8.50 4.20 0.00 3.39 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.15 4.00 0.00 3.12 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 33 L 7.99 3.30 0.00 1.75 1.46 0.98 0.77 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 34 R 7.95 3.63 0.00 1.82 2.01 0.00 3.03 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 35 D 8.08 4.20 0.00 2.51 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.56 3.77 0.00 2.72 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 37 A 7.18 3.79 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.02 4.08 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 39 E 8.15 3.92 0.00 2.07 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 2.32 2.39 0.00 40 A 7.87 4.20 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.94 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 0.00 0.00 0.00 42 H 7.93 4.68 0.00 3.34 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.01 4.85 0.00 3.06 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.44 4.41 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 0.71 0.00 0.00 0.82 0.00 0.00 45 V 8.57 4.01 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 0.67 0.00 0.00 0.80 0.00 0.00 46 D 7.56 4.68 0.00 2.60 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 0.00 0.00 0.00 47 K 8.55 5.24 0.00 1.75 1.64 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.62 7.81 48 A 9.43 4.90 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.35 4.99 1.89 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 1.38 0.77 1.01 0.00 0.00 50 V 8.69 4.60 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 0.71 0.00 0.00 0.91 0.00 0.00 51 K 8.37 4.79 0.00 1.64 1.76 0.00 1.80 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.31 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 1.59 1.16 0.00 61 V 7.74 3.64 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 1.04 0.00 0.00 1.02 0.00 0.00 62 S 8.27 4.21 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.69 3.95 1.24 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 64 W 7.63 4.42 0.00 3.54 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 65 I 8.24 3.91 2.06 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 1.53 0.68 0.96 0.00 0.00 66 A 7.90 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.00 4.36 0.00 4.20 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 0.00 68 D 8.66 4.52 0.00 2.70 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 69 D 7.92 4.64 0.00 2.75 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 70 V 7.60 3.83 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 0.59 0.00 0.00 0.72 0.00 0.00 71 Q 8.78 4.43 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 72 V 7.39 4.70 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 0.95 0.00 0.00 0.76 0.00 0.00 73 V 9.06 4.67 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 1.27 0.00 0.00 1.04 0.00 0.00 74 L 8.84 5.12 0.00 1.58 1.58 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.83 5.12 1.92 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 1.24 1.37 1.01 0.00 0.00 76 T 9.11 4.71 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 1.31 0.00 0.00 77 G 9.01 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 0.00 0.00 0.00 0.00 78 G 9.04 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 79 T 7.72 4.52 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 1.23 0.00 0.00 80 G 7.84 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 0.00 0.00 0.00 0.00 81 L 8.47 4.57 0.00 1.63 1.68 1.00 0.80 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 82 T 7.73 4.48 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 1.22 0.00 0.00 83 E 8.96 3.86 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 84 G 7.42 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 85 D 7.71 4.56 0.00 2.86 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 86 Q 8.65 4.73 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.13 0.00 87 A 8.47 3.92 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 88 P 0.00 4.15 0.00 2.16 2.12 0.00 3.59 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 89 E 8.16 3.86 0.00 2.14 1.92 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 2.35 2.40 0.00 90 A 7.93 3.94 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 91 L 7.51 4.07 0.00 1.49 1.45 0.98 0.67 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 92 L 7.52 3.03 0.00 1.59 1.59 0.90 1.18 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 93 P 0.00 4.31 0.00 1.93 2.06 0.00 3.51 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 94 L 7.57 4.32 0.00 1.64 1.74 0.89 0.68 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 95 F 7.30 4.86 0.00 3.13 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 96 D 8.98 4.60 0.00 2.79 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 97 R 7.49 4.80 0.00 1.69 1.74 0.00 3.12 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 98 E 8.85 4.38 0.00 2.12 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 0.00 2.35 2.61 0.00 99 V 8.23 4.25 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 1.08 0.00 0.00 0.92 0.00 0.00 100 E 8.62 4.24 0.00 2.09 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 2.46 2.43 0.00 101 G 8.18 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 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3.14 3.04 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 0.00 112 E 8.08 3.82 0.00 2.10 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 2.36 2.35 0.00 113 E 7.54 4.29 0.00 1.82 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 2.26 2.25 0.00 114 I 7.92 4.44 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.87 0.00 0.00 115 G 7.84 3.30 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 0.00 116 T 8.35 4.30 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 117 S 7.72 4.20 0.00 4.13 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 0.00 118 T 7.96 3.93 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 1.38 0.00 0.00 119 L 8.06 4.11 0.00 1.82 1.75 1.00 0.93 0.00 0.00 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0.00 0.00 1.04 0.00 0.00 0.87 0.00 0.00 128 A 8.68 4.86 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 9.88 4.10 0.00 2.83 2.98 0.00 0.00 7.31 7.16 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 0.00 130 K 8.04 3.86 0.00 2.00 2.04 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.44 7.81 131 T 7.79 4.92 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 1.25 0.00 0.00 132 L 8.53 4.40 0.00 1.33 1.17 0.34 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.76 4.82 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 1.08 0.00 0.00 134 L 8.97 4.53 0.00 1.29 0.91 0.66 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.63 5.39 1.33 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 0.00 0.00 0.00 *137 P 0.00 4.38 0.00 2.16 2.11 0.00 3.52 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 138 G 8.54 3.92 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 0.00 139 S 7.91 4.31 0.00 4.08 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 0.00 140 T 8.42 3.93 4.18 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 1.05 0.00 0.00 141 K 8.07 3.77 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 142 A 8.35 4.21 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 8.20 4.26 0.00 3.21 3.29 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 0.00 144 R 7.99 4.26 0.00 1.42 1.99 0.00 3.06 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 145 T 8.08 4.05 4.57 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 1.20 0.00 0.00 146 A 8.59 4.25 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.93 4.16 0.00 3.69 3.47 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 0.00 148 E 8.78 4.01 0.00 2.16 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 2.65 2.85 0.00 149 N 8.10 4.80 0.00 2.90 2.88 0.00 0.00 6.84 7.48 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 0.00 150 I 7.40 4.48 2.23 0.00 0.00 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 1.48 0.94 1.18 0.00 0.00 151 I 8.27 3.72 1.71 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.19 0.84 0.00 0.00 152 A 7.12 3.22 0.50 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 0.00 0.00 153 P 0.00 4.37 0.00 2.16 2.09 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 154 Q 7.89 4.18 0.00 2.34 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 155 L 7.80 4.41 0.00 1.59 1.65 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 156 D 7.82 4.71 0.00 2.91 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 0.00 157 A 8.55 4.28 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 8.19 4.56 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.70 0.00 159 T 7.88 4.06 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 160 R 8.20 4.74 0.00 1.76 1.81 0.00 3.20 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 161 P 0.00 4.40 0.00 2.15 2.16 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 162 C 7.53 4.59 0.00 2.96 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 0.00 163 N 7.76 5.39 0.00 2.98 2.78 0.00 0.00 6.44 7.43 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 0.00 164 F 8.68 4.18 0.00 3.27 3.08 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 0.00 165 H 8.89 3.93 0.00 3.20 3.30 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 P 0.00 4.31 0.00 1.82 2.09 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.21 0.00 167 H 8.10 4.95 0.00 3.27 3.29 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.58 4.40 0.00 1.44 1.51 0.79 0.70 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 0.00 169 K 8.36 3.78 0.00 1.89 1.73 0.00 1.90 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 170 K 8.69 4.36 0.00 1.68 1.72 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 171 G 8.64 3.60 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 0.00 0.00 0.00 *172 S 8.40 4.25 0.00 3.61 3.69 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 * Residues marked with a * may have inaccurate shift predictions.