NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3153 8.1227 123.6015 51.6062 20.0340 175.3703 10 N 4.2538 8.9673 115.7114 53.5920 36.9402 173.5081 11 A 4.2289 8.2929 120.9871 51.0723 21.2239 172.0616 12 A 3.5611 8.1266 125.2666 51.5916 16.4377 177.7055 13 I 4.4363 8.2544 123.6707 61.7306 36.8222 176.4286 14 E 4.4854 8.3190 125.3015 52.6990 30.0361 172.3633 15 P 3.8488 0.0000 0.0000 62.6829 32.0302 177.1387 16 A 4.0612 8.2854 124.9659 51.2895 20.2966 178.1309 17 S 3.9276 7.9978 114.6916 61.8241 63.0939 176.5637 18 F 4.8337 7.4255 119.1909 58.0659 37.3288 177.3499 19 V 3.6936 7.1853 118.4580 65.8858 31.6104 177.6015 20 K 4.2353 7.4818 116.7836 58.0167 32.7407 177.7250 21 V 4.3065 7.7999 123.2998 59.5995 32.2052 174.4181 22 P 5.7927 0.0000 0.0000 60.6392 30.3870 175.6188 *24 P 4.4389 0.0000 0.0000 62.4925 33.1847 176.2717 25 E 4.6525 7.7360 117.4442 53.9830 32.5231 172.2970 26 P 4.6186 0.0000 0.0000 60.5737 33.2214 174.3527 27 P 4.3131 0.0000 0.0000 62.9642 32.8894 177.4618 28 S 4.0912 8.5008 114.3106 61.3404 62.7871 176.8665 29 S 3.9425 7.8006 117.6809 61.4859 62.7420 176.4260 30 L 3.7190 7.5591 122.3045 56.9231 41.2958 179.4580 31 Q 3.7256 7.5567 117.8284 59.0726 28.5950 178.1444 32 Q 3.8058 8.0505 119.1995 59.2855 28.8098 179.0420 33 L 3.1632 7.5909 120.5715 58.1689 41.9826 179.3317 34 I 3.4452 7.4242 119.5550 64.3837 36.9698 178.2635 35 N 4.3493 8.4513 117.5940 56.2580 38.2156 177.3258 36 D 4.4007 8.5553 120.2196 57.1922 40.9694 177.7325 37 W 4.5276 8.1095 116.1497 56.7640 29.7285 175.9619 38 Q 3.5166 7.5843 116.2404 56.9137 25.9608 173.6538 39 L 4.6497 7.9263 116.5145 54.6409 43.2165 177.8081 40 I 4.9578 8.4849 113.6228 58.7539 41.5881 174.6965 41 K 4.4001 8.7652 122.9415 56.9521 32.6251 176.8231 42 H 4.7004 9.1490 124.9449 55.1324 31.0246 176.3228 43 R 4.1373 7.9649 121.5026 59.4134 30.4538 178.5394 44 E 4.2807 8.5938 117.2502 59.0084 29.7218 176.1418 45 G 4.4402 7.9804 101.0336 44.7486 0.0000 173.8490 46 G 3.8108 8.1590 108.7814 45.0089 0.0000 171.8203 47 Y 5.5663 8.9422 116.4489 56.4354 41.3236 175.3701 48 F 6.2198 9.0129 115.9418 56.3956 42.5810 173.1092 49 K 3.8717 8.3898 114.4715 55.2835 34.6332 173.4467 50 E 4.5734 8.9575 130.4535 57.0355 29.5804 176.2957 51 T 4.5096 8.7927 117.6575 61.9882 70.2128 174.0997 52 D 4.7095 7.7181 121.0760 53.3366 45.0205 174.1485 53 R 4.8383 8.4146 124.9747 54.9354 32.4161 174.2162 54 S 4.2332 8.9648 122.2394 58.8092 62.4649 172.9387 55 P 4.3718 0.0000 0.0000 63.8207 31.9164 175.7413 56 Y 4.4954 7.8304 117.5955 56.7540 39.1862 175.3582 57 T 5.1605 8.0200 114.1076 59.2768 71.5968 173.0291 *59 E 4.3347 8.3556 119.1060 56.8851 30.6565 175.8664 60 V 4.4882 8.6266 122.4848 61.1664 34.9408 174.5215 61 E 4.4162 8.8078 127.1256 56.1467 30.4708 176.0843 62 K 4.6765 9.3152 125.5823 53.7322 35.6965 173.8501 63 P 4.5904 0.0000 0.0000 62.9346 32.2189 176.0707 64 V 3.7834 8.0114 121.1626 64.5851 32.3157 175.8859 *70 N 4.3820 7.8010 117.4781 53.5098 39.5431 173.9440 71 T 4.8186 8.1994 115.5875 60.8979 72.1438 173.8629 72 E 4.1584 8.6136 125.9506 55.5827 32.3414 175.3723 *74 V 4.1444 8.2420 109.2556 61.1662 33.3926 173.4902 75 T 4.8642 8.4116 117.0368 60.5051 69.7179 173.1798 76 R 4.8059 8.3091 125.4648 54.1179 35.0871 174.2898 77 N 4.9808 8.4979 116.9914 53.1858 39.7634 176.7754 78 Q 4.2174 9.3844 120.5174 59.1010 29.8909 176.6025 79 S 5.3645 8.0473 111.0851 58.0260 66.7314 173.4121 80 T 5.1976 8.3213 109.5890 60.0543 72.3336 172.2194 81 L 5.7975 9.2611 125.7319 52.4073 45.5800 175.0807 82 I 5.2241 8.0517 117.0819 59.7550 41.9769 172.8917 83 Y 5.1981 8.6215 119.8792 56.5771 40.6661 174.4251 84 Y 5.6102 9.2467 123.8096 55.9020 42.5595 173.7438 85 L 5.1975 9.4058 128.6998 53.4028 45.7005 174.9426 86 L 5.1208 8.6730 126.1938 53.7280 44.5052 175.5536 87 T 5.0676 8.6705 111.0683 59.6773 72.0654 172.9263 88 P 4.3535 0.0000 0.0000 65.8897 31.4110 177.2392 89 D 4.4466 7.6780 117.3390 56.6701 41.2593 176.9989 90 S 4.4511 8.2291 118.4137 56.7209 63.7968 171.8838 91 P 4.8610 0.0000 0.0000 63.2890 32.6140 175.1609 92 I 4.9387 7.8974 121.6445 59.7862 40.8320 174.7549 93 G 4.4247 9.0266 113.6465 43.5828 0.0000 172.2285 94 K 4.2410 8.5310 125.2717 56.4190 33.5328 176.4307 95 F 4.8445 8.8376 121.7906 59.0390 39.8893 174.3565 96 H 5.6795 9.7560 118.3985 54.0856 32.4505 172.2032 97 K 4.6279 9.2815 120.4532 54.6289 35.5816 174.4881 98 N 5.3121 8.1364 120.9941 51.4637 42.5404 175.4607 99 I 3.6599 8.3671 123.0953 64.2188 38.0961 176.1545 100 N 5.1860 7.8398 117.1656 51.2796 40.7321 175.4119 101 R 4.3251 8.3842 117.2740 56.4893 31.3627 175.2584 102 I 4.6381 8.3815 121.8567 59.6168 40.6087 174.4441 103 I 4.4190 8.2634 127.4869 60.3326 39.0333 174.3940 104 H 4.7902 8.5559 123.8377 53.6228 31.7920 172.9249 105 I 4.5910 8.0983 123.2080 59.0208 40.0814 174.8615 106 L 4.5053 9.0249 130.2389 55.6299 42.1629 176.1672 107 Q 4.7941 9.0544 122.9749 57.3928 31.5949 176.0852 108 R 4.4210 7.7447 115.2942 56.0531 34.5440 176.9901 109 G 4.2327 9.2009 108.6797 45.7534 0.0000 172.5957 110 K 4.6737 8.3474 116.8519 55.2865 37.1639 175.7875 111 G 3.0374 7.7096 108.8935 45.0692 0.0000 171.1402 112 Q 4.5830 7.9191 119.3836 54.2885 32.8161 173.3349 113 Y 4.8248 8.1455 122.2224 55.9607 41.8024 174.8771 114 V 4.8936 8.8293 122.3248 61.3146 34.7319 173.9812 115 L 5.4040 9.9179 129.3232 53.0239 44.6969 175.6993 116 V 4.8200 8.7189 123.7070 61.2791 33.6044 174.8578 117 Y 4.4202 9.2723 126.9501 56.7213 38.5480 175.3103 118 P 4.5042 0.0000 0.0000 65.9930 31.2288 177.0690 119 D 4.4767 8.1396 115.8234 54.0137 39.6079 176.8529 120 G 4.0358 8.5311 109.2689 44.7582 0.0000 173.5898 121 Q 4.2095 7.7778 122.6017 56.0037 30.1767 174.7244 122 V 5.0095 8.4594 125.8888 61.2260 33.6417 174.5942 123 K 5.0306 9.4539 128.2292 54.8874 35.9787 174.7462 124 S 5.8618 9.2148 120.6527 55.9953 66.0609 172.5466 125 F 5.2801 8.0975 120.0711 55.5502 41.8080 172.9874 126 K 4.6789 8.6827 118.2948 54.8819 34.8661 175.4577 127 V 4.5249 8.0888 123.6941 61.2809 33.6567 175.0747 128 G 3.9977 8.2451 113.9877 46.5066 0.0000 172.8445 129 F 5.0764 8.9067 116.5249 57.7221 39.7135 177.0153 130 D 4.7589 8.4691 124.3663 52.5335 39.5156 176.1590 131 Y 4.7316 7.9956 121.1091 58.9497 38.7855 179.6245 132 K 3.7038 7.0853 118.8779 59.0881 32.1253 176.8056 133 N 4.7352 7.8720 114.2109 53.1289 38.5539 174.9890 134 G 3.8976 8.1331 105.1719 46.8760 0.0000 174.1776 135 E 4.6753 8.0982 118.7052 54.2962 31.4144 175.5883 136 V 4.3351 8.4294 124.3798 62.0531 33.2982 176.0903 137 S 5.0387 8.5932 119.3125 57.8859 64.8209 172.9503 138 Q 5.1419 8.2626 120.3547 55.6616 31.2611 173.0329 139 W 5.3550 8.7428 123.3804 55.0053 32.2605 173.8181 140 V 4.9288 8.4765 120.6072 61.0348 33.9107 174.7766 141 V 4.4825 8.3042 127.1374 59.0892 33.5214 173.4397 142 P 4.5226 0.0000 0.0000 62.5448 32.3863 176.2719 143 G 3.9477 7.9602 109.8362 47.1620 0.0000 173.8398 144 G 3.9192 9.2726 111.2744 44.6769 0.0000 173.7551 145 V 3.8750 6.8597 119.7223 61.5771 32.2205 175.9995 146 F 4.6224 8.6820 127.5983 57.5569 40.1623 174.5613 147 K 5.5183 9.5083 120.8313 55.7551 36.4069 174.8365 148 A 5.1456 8.8653 122.2012 51.1535 23.1799 175.0047 149 S 4.7739 8.2423 112.1195 57.3395 66.6440 173.5664 150 F 5.5198 8.3627 115.9334 54.7731 41.5417 173.6741 151 L 4.3394 8.8604 123.0657 55.3179 42.6712 175.9866 152 L 4.8353 7.7590 125.2309 51.7912 43.7658 174.7278 153 P 4.8929 0.0000 0.0000 63.7389 31.9086 175.3566 154 N 4.5227 9.1093 115.6240 52.5533 41.0739 174.3638 155 E 4.4121 8.5745 123.8258 55.6533 31.3049 175.2609 156 E 4.3954 10.1801 117.0948 56.3674 28.8323 175.1253 157 F 4.8258 8.1795 121.7321 59.7740 40.0480 173.6908 158 D 4.2509 9.0956 114.5203 55.6959 38.1717 173.6893 159 N 4.2834 8.5319 110.0681 54.6495 37.4037 174.8363 160 G 4.3146 8.2792 103.6481 44.4595 0.0000 173.1906 161 F 5.4348 9.1807 121.0611 56.7526 42.3225 172.6579 162 L 5.3140 9.0834 129.8684 53.1775 44.2971 175.2356 163 I 5.2237 8.6178 118.5961 59.4986 41.8623 173.9505 164 S 5.2370 9.0226 118.3741 56.8146 66.1887 173.2994 165 E 4.8828 8.8153 121.7300 54.4756 33.4135 174.8094 166 V 4.7723 8.4725 123.7943 60.9976 34.7131 174.1067 167 V 4.6917 8.4548 127.7426 61.0682 34.0628 174.4553 168 V 4.7000 7.7691 124.4169 60.5291 33.8997 173.3153 169 P 4.8250 0.0000 0.0000 61.4198 32.3164 176.3715 170 G 3.8187 8.3935 108.6803 46.2897 0.0000 173.6064 171 F 4.0027 8.7728 125.7620 58.7047 40.0329 174.5815 172 D 4.2826 6.5869 124.3286 52.9196 43.8737 175.9473 173 F 3.5233 8.8656 125.7837 60.4653 39.0791 177.0232 174 E 4.0871 8.2220 118.7448 58.3087 29.5390 176.9537 175 D 4.7391 8.4892 118.5560 54.0867 42.4475 175.0454 176 H 5.2850 8.0044 119.8465 54.6831 31.7790 174.2839 177 T 4.7035 8.3179 114.9991 60.2600 72.0252 173.1449 178 F 5.0321 9.0043 124.9309 56.8619 40.1546 175.0829 179 L 4.0330 8.9166 125.4578 55.1734 42.0653 178.3894 180 K 4.2239 9.5112 127.4712 56.3676 30.1411 178.3287 181 G 4.1425 8.0260 112.4664 44.8561 0.0000 171.0116 182 E 3.8892 8.4423 116.8158 58.5860 29.5391 178.3443 183 D 4.3042 8.0595 119.0518 57.7233 40.9629 177.8190 184 E 4.0894 8.1682 118.8632 59.0026 29.6622 179.1348 185 L 3.7378 7.2317 120.5487 57.9883 42.1805 178.8524 186 K 4.1161 8.0257 118.5303 59.9406 31.7302 179.0484 187 H 4.2566 7.8019 115.4696 58.6135 28.4888 177.4400 188 L 4.3336 7.8506 120.7085 56.5518 41.4522 178.7012 189 V 4.3962 7.9432 108.6790 60.3759 33.0911 176.3935 190 G 4.1799 8.2889 106.4695 45.2390 0.0000 173.5572 191 P 4.1808 0.0000 0.0000 65.7293 31.1225 178.2734 192 E 3.9142 8.1210 117.7429 58.7613 29.8151 178.3902 193 K 4.0710 7.9919 118.6792 59.3994 32.1752 178.1245 194 A 3.9666 8.0505 121.0133 55.4106 18.1922 179.3006 195 A 4.0047 8.4449 119.2247 55.4287 18.2380 179.3544 196 E 3.9405 7.9524 116.2339 59.2383 30.0052 178.1520 197 L 4.5887 7.5529 115.2553 54.8345 41.8445 178.3291 198 A 4.1136 8.0149 124.2618 55.0470 18.0510 180.0340 199 F 4.2960 8.4583 110.7971 58.9668 38.4192 175.8101 200 L 3.8151 7.2737 120.7757 54.0329 41.4897 175.4531 201 A 5.0468 7.4484 121.1245 49.9875 22.1903 176.3837 202 H 4.3302 8.7095 115.0875 56.3017 28.7116 175.9218 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 9 A 8.12 4.32 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 10 N 8.97 4.25 0.00 2.90 3.49 0.00 0.00 6.73 7.08 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 11 A 8.29 4.23 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 3.56 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.25 4.44 1.94 0.00 0.00 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 1.62 0.72 0.94 0.00 0.00 14 E 8.32 4.49 0.00 1.88 1.77 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 2.17 2.30 0.00 15 P 0.00 3.85 0.00 1.45 1.34 0.00 3.30 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.02 0.00 16 A 8.29 4.06 0.64 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 17 S 8.00 3.93 0.00 4.06 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 18 F 7.43 4.83 0.00 3.27 3.27 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 0.00 19 V 7.19 3.69 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 0.94 0.00 0.00 1.08 0.00 0.00 20 K 7.48 4.24 0.00 1.61 1.72 0.00 1.53 0.00 0.00 1.45 0.00 0.00 2.67 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 1.35 7.81 21 V 7.80 4.31 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 0.92 0.00 0.00 22 P 0.00 5.79 0.00 2.39 2.05 0.00 3.49 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 *24 P 0.00 4.44 0.00 2.23 2.27 0.00 3.75 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 1.87 1.96 0.00 25 E 7.74 4.65 0.00 1.85 1.76 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 2.16 2.32 0.00 26 P 0.00 4.62 0.00 2.08 1.97 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 27 P 0.00 4.31 0.00 2.13 2.09 0.00 3.53 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 28 S 8.50 4.09 0.00 3.99 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 29 S 7.80 3.94 0.00 3.89 4.03 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 30 L 7.56 3.72 0.00 1.60 1.49 0.74 0.51 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 31 Q 7.56 3.73 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 32 Q 8.05 3.81 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 33 L 7.59 3.16 0.00 1.21 1.35 0.34 0.51 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 34 I 7.42 3.45 1.72 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.54 0.58 0.00 0.00 35 N 8.45 4.35 0.00 2.61 2.82 0.00 0.00 7.08 8.12 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 36 D 8.56 4.40 0.00 2.56 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 37 W 8.11 4.53 0.00 3.26 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 38 Q 7.58 3.52 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 39 L 7.93 4.65 0.00 1.62 1.86 0.90 0.74 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 40 I 8.48 4.96 1.97 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 1.11 1.12 0.98 0.00 0.00 41 K 8.77 4.40 0.00 1.68 1.75 0.00 1.71 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.83 1.38 7.81 42 H 9.15 4.70 0.00 3.43 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.96 4.14 0.00 2.17 2.32 0.00 3.48 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 44 E 8.59 4.28 0.00 2.22 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 0.00 2.41 2.80 0.00 45 G 7.98 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.16 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 0.00 0.00 0.00 47 Y 8.94 5.57 0.00 2.92 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 48 F 9.01 6.22 0.00 3.53 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 49 K 8.39 3.87 0.00 1.79 1.82 0.00 1.93 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.27 7.81 50 E 8.96 4.57 0.00 2.19 1.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.94 0.00 0.00 75 T 8.41 4.86 4.54 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 1.21 0.00 0.00 76 R 8.31 4.81 0.00 1.70 1.75 0.00 3.37 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 77 N 8.50 4.98 0.00 2.75 2.88 0.00 0.00 6.82 7.59 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 78 Q 9.38 4.22 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 79 S 8.05 5.36 0.00 3.83 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 80 T 8.32 5.20 4.28 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 1.27 0.00 0.00 81 L 9.26 5.80 0.00 1.64 1.41 0.81 0.81 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 82 I 8.05 5.22 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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5.86 0.00 3.99 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 0.00 125 F 8.10 5.28 0.00 3.10 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 0.00 126 K 8.68 4.68 0.00 1.68 1.62 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.31 7.81 127 V 8.09 4.52 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 1.08 0.00 0.00 0.01 0.00 0.00 128 G 8.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 5.08 0.00 3.19 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 0.00 130 D 8.47 4.76 0.00 2.78 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 0.00 131 Y 8.00 4.73 0.00 3.28 3.28 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 0.00 132 K 7.09 3.70 0.00 1.48 1.74 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 0.31 7.81 133 N 7.87 4.74 0.00 3.01 2.81 0.00 0.00 7.02 7.08 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 0.00 134 G 8.13 3.90 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 0.00 0.00 0.00 135 E 8.10 4.68 0.00 2.17 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 2.28 2.26 0.00 136 V 8.43 4.34 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 1.20 0.00 0.00 0.86 0.00 0.00 137 S 8.59 5.04 0.00 4.02 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Q 8.26 5.14 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 139 W 8.74 5.35 0.00 3.25 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 0.00 140 V 8.48 4.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.88 0.00 0.00 141 V 8.30 4.48 2.22 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 0.78 0.00 0.00 0.94 0.00 0.00 142 P 0.00 4.52 0.00 2.12 2.07 0.00 3.62 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 143 G 7.96 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 0.00 144 G 9.27 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 0.00 145 V 6.86 3.87 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 0.20 0.00 0.00 0.66 0.00 0.00 146 F 8.68 4.62 0.00 3.20 2.81 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 0.00 147 K 9.51 5.52 0.00 2.04 1.99 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.53 7.81 148 A 8.87 5.15 0.16 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 0.00 149 S 8.24 4.77 0.00 3.11 2.63 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 0.00 150 F 8.36 5.52 0.00 3.13 3.06 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 0.00 151 L 8.86 4.34 0.00 1.97 1.79 1.33 0.95 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 0.00 152 L 7.76 4.84 0.00 1.33 1.42 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.89 0.00 2.20 2.25 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 1.99 1.89 0.00 154 N 9.11 4.52 0.00 2.89 2.95 0.00 0.00 6.51 6.94 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 0.00 155 E 8.57 4.41 0.00 2.05 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 2.39 2.31 0.00 156 E 10.18 4.40 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 157 F 8.18 4.83 0.00 3.14 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 D 9.10 4.25 0.00 2.43 2.57 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 0.00 159 N 8.53 4.28 0.00 2.62 2.69 0.00 0.00 6.57 7.30 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 0.00 160 G 8.28 4.31 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 0.00 0.00 0.00 161 F 9.18 5.43 0.00 3.19 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 0.00 162 L 9.08 5.31 0.00 1.67 1.30 1.15 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.62 5.22 1.98 0.00 0.00 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 1.31 0.73 0.64 0.00 0.00 164 S 9.02 5.24 0.00 3.65 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 0.00 165 E 8.82 4.88 0.00 1.75 1.58 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 1.77 2.08 0.00 166 V 8.47 4.77 1.97 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 0.92 0.00 0.00 0.82 0.00 0.00 167 V 8.45 4.69 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 0.95 0.00 0.00 0.91 0.00 0.00 168 V 7.77 4.70 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 0.87 0.00 0.00 0.89 0.00 0.00 169 P 0.00 4.83 0.00 1.94 1.96 0.00 3.94 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 1.99 1.91 0.00 170 G 8.39 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 0.00 0.00 0.00 171 F 8.77 4.00 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 D 6.59 4.28 0.00 2.49 2.36 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 0.00 173 F 8.87 3.52 0.00 3.22 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 0.00 174 E 8.22 4.09 0.00 2.00 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 0.00 2.39 2.43 0.00 175 D 8.49 4.74 0.00 2.28 2.47 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 0.00 176 H 8.00 5.28 0.00 3.01 3.33 0.00 5.92 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 0.00 177 T 8.32 4.70 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 1.20 0.00 0.00 178 F 9.00 5.03 0.00 3.11 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 0.00 179 L 8.92 4.03 0.00 1.69 1.64 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 180 K 9.51 4.22 0.00 1.99 1.78 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 181 G 8.03 4.14 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 0.00 0.00 0.00 182 E 8.44 3.89 0.00 2.05 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 2.36 2.40 0.00 183 D 8.06 4.30 0.00 2.73 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 0.00 184 E 8.17 4.09 0.00 2.07 1.87 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 2.24 2.34 0.00 185 L 7.23 3.74 0.00 1.54 1.60 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.03 4.12 0.00 1.90 1.75 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.70 7.81 187 H 7.80 4.26 0.00 3.33 3.34 0.00 5.65 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 0.00 188 L 7.85 4.33 0.00 1.83 1.64 0.82 0.91 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 0.00 189 V 7.94 4.40 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 0.73 0.00 0.00 0.92 0.00 0.00 190 G 8.29 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 0.00 0.00 0.00 0.00 191 P 0.00 4.18 0.00 2.26 2.30 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 192 E 8.12 3.91 0.00 1.98 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 2.30 2.32 0.00 193 K 7.99 4.07 0.00 1.92 1.97 0.00 1.88 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.60 7.81 194 A 8.05 3.97 1.43 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 0.00 195 A 8.44 4.00 1.41 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 0.00 0.00 196 E 7.95 3.94 0.00 2.02 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 0.00 2.42 2.40 0.00 197 L 7.55 4.59 0.00 1.92 1.89 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 198 A 8.01 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.46 4.30 0.00 3.09 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 0.00 200 L 7.27 3.82 0.00 1.10 0.67 0.43 0.01 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 0.00 201 A 7.45 5.05 1.32 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 0.00 0.00 0.00 202 H 8.71 4.33 0.00 3.14 3.15 0.00 5.74 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 * Residues marked with a * may have inaccurate shift predictions.