NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 K 4.1524 8.3144 121.7853 57.4102 33.4317 174.5779 19 V 3.9472 8.8812 127.9106 60.6341 32.2415 170.4651 20 Y 4.8109 6.7696 118.5822 58.4198 41.1137 175.8369 21 T 4.0319 8.1478 102.5261 59.1657 66.2336 172.6040 22 I 3.1855 7.0745 126.6271 62.3337 37.4558 176.8219 23 D 4.4481 8.3345 126.5696 56.9063 40.9225 178.4671 24 E 4.1177 7.3992 113.5155 57.4726 29.3596 177.8289 25 A 4.0748 7.9330 123.2394 55.1563 18.6808 180.8255 26 A 4.2559 7.6768 118.5517 51.8839 17.5771 178.9537 27 R 4.1254 7.6584 119.0378 56.7101 28.5139 175.9717 *34 T 4.2092 8.0005 121.4713 61.5684 70.1759 173.7489 35 A 4.0843 8.1752 129.3434 52.2674 22.4885 179.3165 36 K 4.3026 9.2632 119.9782 53.6136 34.2787 174.7101 37 F 4.3648 8.8249 122.5161 58.8011 39.2714 174.3826 38 D 4.5693 8.9117 128.6521 55.0902 39.0639 176.2870 39 E 4.4679 7.8521 117.9616 55.2742 31.7383 176.3844 40 T 4.1481 7.7815 113.8365 62.6317 67.9180 175.0750 41 V 3.8527 7.5070 113.6458 62.5586 32.4577 175.1645 42 E 4.8595 8.2868 118.6036 54.5230 32.9010 177.0608 43 V 4.4588 8.1592 120.3476 63.4844 32.5398 175.3512 44 H 4.0886 8.4158 114.2876 56.2532 29.8507 172.5925 45 A 4.6230 8.4866 128.6007 50.3753 19.3627 178.1621 46 K 5.1616 7.9657 134.3917 58.4159 33.9898 173.1365 47 L 4.8676 7.6879 131.0719 54.0522 42.4572 175.9980 48 G 3.6728 8.6264 109.1833 45.5511 0.0000 173.3878 49 I 3.6133 8.3869 126.8969 60.6998 37.7723 174.4115 50 D 4.3877 8.5668 122.8663 52.9242 38.7667 174.3103 51 P 4.5869 0.0000 0.0000 62.5062 33.6079 175.6934 52 R 4.0498 8.9986 121.0534 56.8757 28.5954 176.7477 53 R 4.8142 8.2526 120.5534 55.6047 32.6023 174.8564 54 S 4.6358 7.1896 111.8865 60.0888 67.5650 173.2417 55 D 4.4604 8.0663 125.0422 53.8033 43.4299 177.6363 56 Q 4.5553 8.6703 113.7564 54.7714 31.1139 173.6636 57 N 4.6646 8.4106 117.7485 52.5649 41.3916 175.1645 58 V 3.9032 8.2991 119.9832 61.6584 31.7753 175.3048 59 R 4.5769 8.2044 118.1403 54.6833 32.3895 176.3717 60 G 3.5919 8.5729 109.8889 46.0765 0.0000 174.2123 61 T 3.2697 8.8325 119.4355 61.9054 67.6232 173.7862 62 V 3.5043 8.0701 118.5506 65.3042 31.5045 177.6163 63 S 3.5464 7.9342 122.3100 60.4845 63.7228 171.8923 64 L 3.4545 8.0064 133.6093 53.7830 40.5009 172.5819 65 P 4.8985 0.0000 0.0000 62.4310 29.3561 174.3216 66 H 4.6999 8.0836 118.3793 57.1067 37.3526 173.6030 67 G 4.1272 8.3374 112.0308 45.7826 0.0000 174.6312 68 L 3.6433 8.2604 116.0686 53.8337 40.0196 175.5136 69 G 4.0108 7.4858 103.7518 46.5354 0.0000 174.1699 70 K 4.2803 7.4582 116.7447 55.8334 33.8007 178.9937 71 Q 4.2665 8.2896 123.7255 56.1500 26.5555 174.3842 72 V 3.8392 7.6872 120.0100 62.3389 32.5705 176.0421 73 R 5.3501 8.1336 128.6924 53.3321 28.6914 174.6663 74 V 3.4583 7.7215 116.8712 63.4556 32.4985 175.8822 75 L 4.3945 8.4702 131.7621 53.7487 41.3811 173.2166 76 A 4.3603 8.1098 123.2154 51.1119 19.2885 177.6254 77 I 3.9191 8.3821 119.9189 62.9341 38.3155 175.5720 78 A 3.8901 8.0564 123.9318 51.3109 19.2390 179.1453 79 K 4.3050 8.5171 117.9341 57.3337 31.4397 178.0674 80 G 4.0000 8.7435 106.9014 45.5136 0.0000 174.4181 81 E 4.5836 7.9180 116.5220 55.6936 32.0200 176.3863 82 K 4.4558 7.8410 119.8338 56.3585 31.4646 176.6591 83 I 4.5073 7.4559 115.4829 60.9587 39.1364 176.7845 84 K 4.5106 7.9025 118.2274 56.3022 32.9996 176.7464 85 E 4.5661 7.8211 114.7854 57.0870 34.0146 175.6988 86 A 4.5466 7.9655 121.0889 52.1756 19.2267 177.4029 87 E 4.5306 7.8929 114.6076 56.6559 31.3722 176.4131 88 E 4.6215 7.2125 116.0935 53.2807 30.3176 174.5350 89 A 4.3546 7.1979 118.3719 52.0044 22.5612 176.4871 90 G 3.9125 7.4585 113.9314 45.4755 0.0000 172.1553 91 A 5.0172 7.4917 122.3252 50.9058 22.5976 175.5641 92 D 4.7498 8.7977 115.8289 54.8340 40.9286 175.5441 93 Y 4.7489 7.3216 113.9312 57.0471 42.0231 174.1981 94 V 4.3371 8.2338 109.1432 61.3690 35.8983 173.5450 95 G 4.3531 8.5952 115.1967 45.2044 0.0000 171.1677 96 G 3.7727 8.0986 114.4170 45.8993 0.0000 173.7307 97 E 4.4270 8.8758 123.5486 56.4069 30.2662 176.7562 98 E 4.4389 7.9490 118.3553 56.9814 29.8276 177.2076 99 I 4.3818 7.4108 118.9994 61.3116 38.2538 177.6931 100 I 3.6275 7.3405 120.6564 64.0861 36.9120 177.1131 101 Q 4.4909 7.9964 116.4055 55.7877 30.6550 176.7499 102 K 4.3955 7.7862 119.0151 55.4116 32.3794 183.2461 103 I 4.6284 7.5277 115.2626 60.8077 37.8921 182.3740 104 L 4.5246 7.6392 118.9485 55.5881 40.9654 182.6753 105 D 4.6979 7.9718 117.5910 55.0580 41.2780 181.6317 106 G 3.8313 8.0175 110.8539 44.9049 0.0000 175.6422 *107 W 4.3472 8.6932 132.5943 55.4435 26.2949 173.3863 108 M 5.3924 6.8162 131.8313 56.2952 34.3771 178.3807 109 D 4.6397 8.0244 121.1151 56.0998 44.2607 178.4992 *110 F 3.9071 8.0542 118.4658 56.2475 39.4399 178.5010 *119 V 4.1417 7.9274 115.3190 63.4871 32.0012 174.4191 120 M 4.8420 7.8865 109.5840 56.7053 33.1519 172.6234 121 G 4.0232 8.7273 122.6164 43.2143 0.0000 170.3871 122 A 3.8447 7.7383 123.8689 52.5746 19.4631 178.2480 123 V 4.0256 8.0815 116.5166 59.9975 32.4379 176.6275 124 G 3.9565 8.4514 116.7550 45.8499 0.0000 175.1326 125 S 4.0809 8.9493 123.6707 59.8261 60.0614 168.2547 126 K 4.7453 8.9552 119.0331 55.9775 32.4781 179.1527 127 L 4.5085 7.3035 122.4471 52.1389 40.1280 175.5900 128 G 4.0134 8.3639 116.6245 46.0389 0.0000 171.4533 129 R 4.4318 8.4227 125.3461 57.1392 29.3969 176.2731 130 I 4.3931 7.5068 117.5509 61.5754 35.2985 179.8103 131 L 4.6890 7.6874 119.4187 54.4716 40.8315 180.6858 132 G 4.6380 7.3806 118.1739 46.8118 0.0000 173.2212 133 P 4.7025 0.0000 0.0000 63.0104 33.7984 182.1656 134 R 4.5686 7.5968 117.4054 53.0951 28.7557 179.5661 135 G 4.1176 7.3526 117.4884 46.4049 0.0000 173.7046 136 L 4.0167 8.8446 120.2282 55.2097 39.7168 175.2226 *139 N 4.7831 8.0027 118.2610 51.6669 40.4101 174.3395 140 P 4.9041 0.0000 0.0000 62.2533 34.1536 179.0854 141 K 3.8580 8.5407 115.1185 56.3550 31.8275 172.5116 142 A 5.4968 7.8882 134.5175 52.4657 21.0615 176.0558 143 G 4.1488 8.5201 115.0754 47.4297 0.0000 175.5562 144 T 4.1025 8.9954 118.8702 63.0540 70.0234 176.0924 145 V 4.1837 7.7455 113.7002 62.6807 34.8750 167.1951 146 G 3.9936 8.6122 110.1255 46.0238 0.0000 173.5626 *147 F 4.6121 9.4626 119.2419 56.6194 39.9932 171.8324 148 N 5.3326 8.1638 135.0000 53.0620 38.0451 171.2478 149 I 4.4016 7.5546 119.5510 59.6832 36.0283 177.2646 150 G 4.0334 8.7270 109.9250 45.7357 0.0000 174.1729 151 E 5.1407 7.4172 118.7101 56.6546 31.9989 181.2327 152 I 4.5293 7.7514 115.0006 61.4006 36.6301 175.5158 153 I 4.0632 7.2913 121.6410 62.5731 40.3972 174.3486 154 R 4.5661 8.1541 118.1514 58.4926 32.7757 171.7599 155 E 4.2709 8.7096 112.1677 56.2843 29.3891 172.3260 156 I 3.8954 7.0658 126.7874 60.9074 37.3975 176.8688 157 K 4.5749 7.9159 131.2357 51.9839 31.4809 172.8171 158 A 4.4431 7.6943 125.7221 52.0534 20.5972 177.0337 159 G 3.8296 8.7371 107.3125 47.9538 0.0000 175.3363 160 R 4.6630 8.1654 116.7755 55.9995 31.9358 178.5382 161 I 4.9196 7.6218 115.6160 61.2056 38.5201 181.5130 162 E 4.7179 8.4139 129.0501 57.7699 28.6115 183.3330 *163 F 4.8444 8.8563 126.6899 59.2328 40.1474 174.3345 164 R 4.6470 8.6344 125.4842 58.8990 37.7400 175.5288 165 N 4.6973 8.9150 117.9696 54.3236 41.7384 176.3993 166 D 4.7467 8.1783 111.8709 54.6771 43.0250 177.2116 167 K 4.5494 7.8707 133.4317 55.0137 31.6352 181.5229 168 T 4.6121 8.4025 112.3061 61.2964 69.8397 174.2295 169 G 4.0531 8.1638 104.3281 46.6893 0.0000 173.0895 170 A 3.5989 8.1802 126.1869 53.5634 17.1168 180.8744 171 I 3.7768 8.3825 117.0200 62.1383 36.4395 179.4427 *172 H 4.8001 7.7672 119.1381 52.2981 30.2952 175.1082 173 A 4.6581 8.4038 135.0000 49.8290 19.1726 176.2765 174 P 3.7571 0.0000 0.0000 63.8872 29.7263 176.2858 175 V 2.8794 8.5399 108.2288 62.6016 27.6391 172.7217 176 G 4.3220 7.8755 115.1189 44.0766 0.0000 169.7852 177 K 4.7155 8.4929 122.3233 54.3403 33.0186 172.6731 178 A 4.7498 8.3029 126.0582 50.0852 22.2941 176.2556 179 S 4.2403 8.3958 114.0735 58.9635 61.8194 170.7872 *180 F 5.1760 7.8977 114.5513 55.6993 41.7585 170.4587 181 P 4.6803 0.0000 0.0000 61.5634 27.9303 175.5778 182 P 5.2364 0.0000 0.0000 59.5410 33.2516 173.3147 183 E 5.8305 8.0541 127.3663 55.5376 33.8389 177.1192 184 K 4.0588 8.9248 128.4239 56.7471 29.8853 178.2248 185 L 5.4047 9.5127 111.8431 54.3066 41.6263 179.0599 186 A 4.6678 8.0705 123.1609 53.7056 20.0081 178.7518 187 D 4.7162 8.0933 116.3437 55.4651 41.0512 183.5394 188 N 4.8371 7.4413 119.9161 53.3438 35.0705 179.7139 189 I 4.1703 7.6592 122.9855 61.9543 36.7439 179.6801 190 R 4.4691 7.8960 115.5873 56.4018 29.4575 181.9226 191 A 4.2397 8.0502 124.7574 55.5256 18.9444 179.3949 *192 F 4.7465 8.1954 112.7234 57.0152 39.7551 179.1700 193 I 4.3697 7.5388 120.9529 62.7657 37.7601 182.6765 194 R 4.2595 7.7821 117.8233 58.3677 29.7048 180.6114 195 A 4.1417 8.0292 122.4915 54.9022 18.6980 178.9095 196 L 4.2885 7.9507 117.5971 56.6536 41.4581 184.0789 197 E 4.4943 7.8914 113.0042 56.7283 29.0625 183.4003 198 A 4.5594 8.4871 128.4007 52.4950 17.4565 178.1125 *199 H 4.8787 8.2102 114.1514 54.0641 30.7546 175.2775 200 K 4.4891 8.2179 121.5707 55.3562 32.2337 179.6535 201 P 4.6010 0.0000 0.0000 62.4632 29.2875 179.3463 202 E 4.3230 8.0622 121.3859 55.8881 30.4573 175.5222 203 G 4.3204 7.3736 113.2651 44.2905 0.0000 172.0104 204 A 4.6557 8.7189 129.8915 52.8450 20.2478 177.7330 205 K 4.4050 8.8083 124.2043 53.7220 37.7590 181.2349 206 G 4.0014 9.0250 113.9680 46.0267 0.0000 174.1405 207 T 4.2364 8.4245 121.6019 59.9336 67.1348 170.6641 *208 F 4.8257 8.0436 127.3346 55.4568 42.5264 174.1507 209 L 3.8473 9.0897 120.4147 56.4921 36.8091 172.8759 210 R 4.9288 7.2748 125.2157 56.7749 34.2593 174.1317 211 S 4.7129 7.9850 113.0050 61.9052 67.7005 172.8796 212 V 4.6828 7.9851 115.3291 64.2058 35.9044 170.9464 *213 Y 3.7900 9.9044 118.3946 58.6812 36.3903 170.6902 214 V 4.3664 7.5798 119.1342 61.7737 35.6413 176.5988 215 T 3.8675 8.8906 109.5505 63.9027 65.2337 169.1193 216 T 4.8499 7.0189 114.4870 61.3817 76.4400 179.8071 217 T 4.1189 7.2647 119.2309 61.7951 73.1777 177.3743 218 M 4.6514 7.9001 121.7999 57.0033 33.4891 173.8455 219 G 4.0093 8.7248 120.7310 46.3947 0.0000 169.8842 220 P 4.9986 0.0000 0.0000 63.2661 34.2612 171.0044 221 S 4.4674 9.1482 120.6263 56.8249 65.6906 173.3482 222 V 3.6116 8.3165 121.7934 61.1965 32.1609 175.7793 223 R 4.5642 7.9293 116.3662 57.1881 33.2261 173.0943 *224 I 4.0436 8.2070 111.7534 61.9272 36.1680 171.6560 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 18 K 8.31 4.15 0.00 1.73 1.79 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.39 7.81 19 V 8.88 3.95 2.33 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 0.97 0.00 0.00 1.01 0.00 0.00 20 Y 6.77 4.81 0.00 3.14 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 21 T 8.15 4.03 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 1.23 0.00 0.00 22 I 7.07 3.19 1.72 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 0.84 0.00 0.00 23 D 8.33 4.45 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.40 4.12 0.00 1.88 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 2.35 2.31 0.00 25 A 7.93 4.07 1.27 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 0.00 0.00 26 A 7.68 4.26 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.66 4.13 0.00 1.93 1.99 0.00 3.06 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 *34 T 8.00 4.21 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 35 A 8.18 4.08 1.16 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 36 K 9.26 4.30 0.00 1.74 1.77 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.56 7.81 37 F 8.82 4.36 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.91 4.57 0.00 2.65 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 39 E 7.85 4.47 0.00 1.73 1.71 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 1.65 1.47 0.00 40 T 7.78 4.15 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 1.19 0.00 0.00 41 V 7.51 3.85 2.03 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 0.70 0.00 0.00 0.81 0.00 0.00 42 E 8.29 4.86 0.00 2.03 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 2.30 2.30 0.00 43 V 8.16 4.46 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 0.82 0.00 0.00 0.91 0.00 0.00 44 H 8.42 4.09 0.00 3.27 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.49 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.97 5.16 0.00 1.82 1.84 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.21 7.81 47 L 7.69 4.87 0.00 1.76 1.64 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.63 3.67 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 0.00 0.00 0.00 49 I 8.39 3.61 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.44 0.91 0.00 0.00 50 D 8.57 4.39 0.00 3.04 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.59 0.00 2.40 2.16 0.00 3.83 0.00 0.00 4.08 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 52 R 9.00 4.05 0.00 1.98 1.85 0.00 3.15 0.00 0.00 3.22 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 53 R 8.25 4.81 0.00 1.73 1.85 0.00 3.24 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 54 S 7.19 4.64 0.00 3.98 3.77 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 55 D 8.07 4.46 0.00 2.74 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 0.00 0.00 0.00 56 Q 8.67 4.56 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 57 N 8.41 4.66 0.00 2.65 2.70 0.00 0.00 7.04 7.71 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 58 V 8.30 3.90 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 0.78 0.00 0.00 0.97 0.00 0.00 59 R 8.20 4.58 0.00 1.77 1.82 0.00 3.37 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 60 G 8.57 3.59 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 0.00 61 T 8.83 3.27 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 1.29 0.00 0.00 62 V 8.07 3.50 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 0.86 0.00 0.00 0.93 0.00 0.00 63 S 7.93 3.55 0.00 3.94 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 64 L 8.01 3.45 0.00 2.07 1.69 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.90 0.00 2.22 2.10 0.00 4.03 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 2.07 1.97 0.00 66 H 8.08 4.70 0.00 3.11 3.27 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.34 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 68 L 8.26 3.64 0.00 1.79 1.75 0.74 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.49 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 70 K 7.46 4.28 0.00 1.77 1.76 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.36 7.81 71 Q 8.29 4.27 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 72 V 7.69 3.84 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 1.01 0.00 0.00 1.01 0.00 0.00 73 R 8.13 5.35 0.00 1.85 1.90 0.00 3.34 0.00 0.00 3.82 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 74 V 7.72 3.46 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 0.74 0.00 0.00 0.98 0.00 0.00 75 L 8.47 4.39 0.00 1.79 1.58 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.11 4.36 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 77 I 8.38 3.92 2.06 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 1.17 1.13 0.93 0.00 0.00 78 A 8.06 3.89 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 79 K 8.52 4.30 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.44 7.81 80 G 8.74 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 81 E 7.92 4.58 0.00 1.92 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 2.19 2.28 0.00 82 K 7.84 4.46 0.00 1.74 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.45 7.81 83 I 7.46 4.51 1.88 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 1.42 0.90 1.07 0.00 0.00 84 K 7.90 4.51 0.00 1.70 1.79 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.41 7.81 85 E 7.82 4.57 0.00 1.97 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 2.29 0.00 86 A 7.97 4.55 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 87 E 7.89 4.53 0.00 1.83 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0.00 0.00 0.00 0.00 0.00 *147 F 9.46 4.61 0.00 2.26 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 0.00 0.00 0.00 0.00 148 N 8.16 5.33 0.00 2.85 2.73 0.00 0.00 6.77 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.55 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.91 0.00 0.00 150 G 8.73 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 0.00 0.00 0.00 151 E 7.42 5.14 0.00 2.09 1.81 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 1.99 1.60 0.00 152 I 7.75 4.53 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.91 0.00 0.00 153 I 7.29 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.91 0.00 0.00 154 R 8.15 4.57 0.00 1.77 1.71 0.00 3.23 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.14 0.00 155 E 8.71 4.27 0.00 1.98 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 2.23 1.87 0.00 156 I 7.07 3.90 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.91 0.00 0.00 157 K 7.92 4.57 0.00 1.73 1.62 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 0.96 7.81 158 A 7.69 4.44 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 0.00 159 G 8.74 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 0.00 160 R 8.17 4.66 0.00 1.78 1.77 0.00 3.21 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 161 I 7.62 4.92 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.91 0.00 0.00 162 E 8.41 4.72 0.00 1.98 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 0.00 0.00 0.00 2.22 1.87 0.00 *163 F 8.86 4.84 0.00 2.05 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 0.00 0.00 0.00 164 R 8.63 4.65 0.00 1.45 1.17 0.00 3.25 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 165 N 8.92 4.70 0.00 2.44 2.57 0.00 0.00 6.28 8.06 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 0.00 166 D 8.18 4.75 0.00 2.62 2.43 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 0.00 167 K 7.87 4.55 0.00 1.77 0.96 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.01 7.81 168 T 8.40 4.61 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 0.00 169 G 8.16 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 0.00 170 A 8.18 3.60 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 0.00 171 I 8.38 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.73 0.91 0.00 0.00 *172 H 7.77 4.80 0.00 2.86 2.85 0.00 7.16 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.40 4.66 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 P 0.00 3.76 0.00 2.23 1.08 0.00 3.89 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 1.85 1.56 0.00 175 V 8.54 2.88 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 0.85 0.00 0.00 0.93 0.00 0.00 176 G 7.88 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 0.00 0.00 0.00 0.00 177 K 8.49 4.72 0.00 1.55 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.01 7.81 178 A 8.30 4.75 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.40 4.24 0.00 3.66 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 *180 F 7.90 5.18 0.00 2.22 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 0.00 0.00 0.00 181 P 0.00 4.68 0.00 2.08 1.91 0.00 3.76 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 1.94 1.59 0.00 182 P 0.00 5.24 0.00 2.02 1.81 0.00 3.86 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 1.71 1.43 0.00 183 E 8.05 5.83 0.00 2.09 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 2.00 1.59 0.00 184 K 8.92 4.06 0.00 1.77 1.34 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.00 7.81 185 L 9.51 5.40 0.00 1.65 1.55 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 186 A 8.07 4.67 1.27 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 0.00 0.00 187 D 8.09 4.72 0.00 2.71 2.59 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 0.00 188 N 7.44 4.84 0.00 2.79 2.68 0.00 0.00 6.86 7.60 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 0.00 189 I 7.66 4.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.91 0.00 0.00 190 R 7.90 4.47 0.00 1.72 1.92 0.00 3.21 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 0.00 191 A 8.05 4.24 1.31 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 *192 F 8.20 4.75 0.00 2.27 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 0.00 0.00 0.00 0.00 193 I 7.54 4.37 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.91 0.00 0.00 194 R 7.78 4.26 0.00 1.77 1.95 0.00 3.24 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 195 A 8.03 4.14 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 0.00 196 L 7.95 4.29 0.00 1.58 1.68 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 197 E 7.89 4.49 0.00 2.00 1.86 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 2.26 2.13 0.00 198 A 8.49 4.56 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 *199 H 8.21 4.88 0.00 2.88 2.87 0.00 7.16 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 K 8.22 4.49 0.00 1.73 1.66 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 0.96 7.81 201 P 0.00 4.60 0.00 2.08 1.91 0.00 3.70 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 1.89 1.57 0.00 202 E 8.06 4.32 0.00 1.98 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 2.21 1.87 0.00 203 G 7.37 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 0.00 0.00 0.00 0.00 204 A 8.72 4.66 1.10 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 0.00 205 K 8.81 4.41 0.00 1.74 0.74 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 1.00 7.81 206 G 9.03 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 0.00 207 T 8.42 4.24 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 *208 F 8.04 4.83 0.00 2.23 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 0.00 0.00 0.00 209 L 9.09 3.85 0.00 1.78 1.84 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 210 R 7.27 4.93 0.00 1.53 1.70 0.00 3.28 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.17 0.00 211 S 7.98 4.71 0.00 3.33 3.64 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 0.00 212 V 7.99 4.68 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 0.74 0.00 0.00 0.93 0.00 0.00 *213 Y 9.90 3.79 0.00 2.44 2.44 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 0.00 214 V 7.58 4.37 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 0.65 0.00 0.00 0.93 0.00 0.00 215 T 8.89 3.87 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 0.00 216 T 7.02 4.85 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 0.00 217 T 7.26 4.12 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 0.00 218 M 7.90 4.65 0.00 1.75 1.86 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 1.93 0.00 219 G 8.72 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 0.00 220 P 0.00 5.00 0.00 1.81 1.77 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 1.71 1.44 0.00 221 S 9.15 4.47 0.00 3.56 3.58 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 0.00 222 V 8.32 3.61 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 0.86 0.00 0.00 0.93 0.00 0.00 223 R 7.93 4.56 0.00 1.76 1.70 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 *224 I 8.21 4.04 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.