NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5746 8.3349 116.7940 58.2797 65.4521 173.6889 3 N 4.8754 7.5750 116.3477 49.3851 39.0870 170.6143 4 Q 4.4618 7.5910 115.8881 56.3956 32.3452 173.7444 5 K 4.6727 8.3772 118.4967 53.3478 35.1674 172.9973 6 H 5.1219 8.4451 121.1590 54.2399 30.4369 176.2295 7 I 3.6854 8.4225 122.0815 65.5493 37.0266 177.2320 8 D 4.2063 7.9244 117.7012 56.9610 39.4983 178.8882 9 K 3.9923 7.9232 121.3267 58.2226 32.4241 179.3385 10 I 3.6447 7.7791 120.3501 64.5461 37.1161 178.3641 11 Q 3.8718 8.4866 119.0281 58.6862 28.4689 178.8549 12 A 3.9341 7.8358 121.8381 55.2409 18.2557 179.8135 13 V 3.5192 7.8632 115.6519 66.2524 31.8056 177.9931 14 I 3.5409 7.9998 122.2232 64.7308 36.6213 179.2423 15 K 4.0345 7.8570 123.6605 59.5985 31.5542 180.5034 16 D 4.6374 7.8283 116.4236 55.3612 41.3708 176.1534 17 V 4.2279 6.8140 119.1220 60.8913 32.7312 175.4981 18 K 3.8971 8.8076 128.6732 58.6530 32.3214 176.9348 19 F 5.1113 7.8227 115.4910 55.4787 43.1110 175.0758 20 A 4.2417 8.4727 133.9832 51.2333 17.9631 176.6839 *22 I 4.2965 8.2208 116.1379 62.3449 39.5790 174.9390 23 S 5.5272 9.1918 125.9999 57.2141 65.4819 173.3959 24 T 5.2086 9.0931 113.1035 60.1113 72.7313 172.4186 25 S 5.4860 8.7175 116.8410 56.7436 65.3797 173.7169 26 N 4.8749 8.8468 121.0949 51.0050 39.2881 175.8011 27 K 3.7635 8.6434 116.9419 59.6568 31.9661 178.2046 28 K 4.0763 8.0841 116.6756 56.8790 32.2419 177.3113 29 G 3.9813 8.8531 106.7640 45.9939 0.0000 173.5419 30 D 4.6468 8.1800 119.9076 54.0588 42.3430 175.3197 31 I 4.8385 8.0203 121.7150 60.4644 38.9075 174.8711 32 H 4.7438 8.9468 121.6881 54.0346 33.3482 172.1676 33 A 5.5532 7.5254 120.6478 49.0058 22.3144 175.3416 34 W 5.1646 8.5310 117.6262 54.4030 33.4363 173.4449 35 P 5.6048 0.0000 0.0000 61.6170 32.6088 175.3142 *37 T 4.3964 8.1474 109.1394 61.7657 69.6237 173.6756 38 T 3.8066 8.6218 122.2601 63.3356 69.1726 174.8989 39 S 4.4223 8.5655 123.5896 61.0783 63.5573 174.3021 40 E 4.8680 7.5411 118.7522 54.9465 33.0087 174.6774 41 V 4.5136 8.4002 124.8666 60.2193 33.9290 174.6168 42 N 4.7889 9.1917 125.2772 51.3837 40.2281 174.7207 43 L 4.0353 8.7536 126.7961 57.5901 42.2546 179.6564 44 D 4.3577 8.3031 117.2449 57.5493 40.7103 177.2652 45 N 4.5294 8.7990 113.3668 52.8407 39.3148 174.8584 46 K 3.7824 7.7653 117.6880 56.2635 29.4681 174.8090 47 E 4.5985 8.2932 117.9400 55.4802 34.8351 175.4567 48 I 4.9365 8.8922 126.2675 59.1750 40.6588 174.6221 49 W 5.2948 9.0907 126.7776 54.9623 32.0181 174.9048 50 F 5.2503 9.5818 121.7499 55.8302 43.0624 174.2021 51 I 4.6297 8.8394 122.0477 60.2591 38.4445 175.2072 52 G 4.3212 9.4204 116.1878 44.6001 0.0000 170.1987 53 D 5.6860 8.3628 118.2728 52.3164 43.0252 177.9561 54 K 4.0818 9.2659 125.7655 59.5968 32.2211 178.4280 55 T 4.1290 7.7183 106.4702 62.7076 69.3317 175.6838 56 S 4.2362 7.6369 118.4893 58.2295 65.0592 174.7877 57 D 4.2746 8.2802 123.3548 57.2942 40.4767 179.6001 58 V 2.8031 6.4831 119.2479 64.4478 31.3789 178.4893 59 V 3.4505 7.2773 118.7221 65.1925 31.0384 177.6190 60 K 3.8046 7.8910 119.3562 59.8470 32.0390 178.3570 61 D 4.4014 8.3551 119.2130 57.5600 40.5511 178.9386 62 I 4.1543 7.6518 120.6103 63.9687 37.1300 177.4365 63 Q 4.1227 8.1231 118.1927 58.6227 28.7141 177.4946 64 D 4.5987 7.4577 115.5513 54.9347 41.9086 176.1858 65 D 4.3383 8.1939 118.9374 53.1459 42.6221 174.7682 66 A 4.3690 8.5856 128.2575 52.8302 19.7580 176.5087 67 R 4.8903 8.2582 116.2223 55.2632 30.7008 175.7774 68 I 4.8130 8.8361 117.7141 58.8034 41.8116 174.4317 69 G 4.5063 8.9508 108.1633 44.4193 0.0000 171.7014 70 L 5.3321 9.0145 123.3925 52.8656 45.0277 175.7075 71 T 5.3446 8.1843 111.3400 60.3397 72.8439 172.1582 72 Y 4.9146 9.1120 119.8570 56.3720 42.2503 174.0252 73 A 4.9810 8.7468 125.2669 50.0788 21.7526 175.8106 74 T 4.2614 8.2764 113.3923 61.1004 69.9299 176.2259 75 Q 3.9871 8.7321 121.3232 58.9007 28.8175 176.8379 76 D 4.4724 8.1135 116.7559 53.3902 39.5932 176.2343 77 E 4.1828 8.0013 117.5610 56.4326 27.6331 174.8883 78 K 4.6258 7.6295 119.8029 56.4907 34.3736 175.8321 79 N 5.4244 7.8086 117.2199 51.8498 42.3056 173.1474 80 Y 5.3968 9.3552 119.9118 56.3725 42.8401 174.4920 81 V 4.9752 9.3319 122.1269 61.3276 35.6131 173.9646 82 S 5.3434 9.9806 122.0938 56.6931 65.4037 172.3869 83 I 5.0229 9.2527 128.1027 59.5694 40.2463 174.3111 84 S 4.9564 8.9550 121.7838 56.7093 64.6631 173.0331 85 G 4.3522 8.6301 111.8859 45.6626 0.0000 171.1523 86 D 5.5575 8.9747 120.0694 52.3440 43.2490 175.4807 87 A 5.0065 8.9899 126.2426 50.7312 20.2962 176.1865 88 E 4.6308 9.6024 122.7696 54.0815 32.9838 175.7868 89 L 4.9024 7.9655 120.1509 52.8298 41.6928 174.5332 90 P 4.5902 0.0000 0.0000 62.4094 33.0324 176.5774 91 T 4.4156 8.2022 115.9526 62.2319 69.6938 175.2719 92 D 4.4454 8.2181 126.2155 51.8484 42.7376 175.3524 93 K 3.7502 8.4829 126.3297 59.1661 32.1710 178.3800 94 A 3.8961 7.9906 120.4687 55.3347 18.1678 179.5264 95 K 3.6168 8.4705 118.0202 59.3576 32.0087 178.6230 96 L 3.8454 7.9792 119.8120 58.2635 42.0814 178.2227 97 D 4.4326 8.2970 119.1049 57.4793 40.5630 178.5449 98 E 3.9182 7.4858 118.2637 59.1564 29.7761 178.1432 99 L 4.2395 7.5758 115.5755 54.2167 42.3088 176.8573 100 W 4.5438 7.3633 129.9352 57.0361 31.2126 175.7471 101 S 4.7881 7.6579 118.8643 55.3189 67.7026 173.5145 102 P 4.3590 0.0000 0.0000 64.5555 31.1734 179.0102 103 V 3.2334 7.1380 117.5827 66.1064 30.0589 177.3604 104 Y 3.9440 6.6934 115.8351 60.9047 37.3221 178.2695 105 S 4.7814 7.2185 111.9303 62.1076 62.5048 175.2211 106 A 4.0833 7.6465 122.8854 54.0268 19.0478 178.3749 107 F 5.1023 7.3793 116.3975 54.4705 37.5372 178.5400 108 F 4.6883 7.9236 115.7721 56.9103 41.3172 175.0037 109 A 4.0799 9.0495 130.0629 54.9929 18.0384 178.0878 110 N 4.9542 9.4525 111.7444 52.4941 40.0609 175.8732 111 G 4.1609 8.4943 107.8492 46.4197 0.0000 177.1098 112 K 2.9898 8.2466 120.0309 58.5171 32.0573 177.3487 113 E 4.2189 7.2984 115.3564 55.9083 29.8702 175.8452 114 D 4.3586 7.9054 120.9030 53.8552 41.6055 177.0779 115 A 4.0694 8.6411 129.4342 55.0307 18.8024 177.8961 116 N 4.6731 8.5890 112.4756 54.7186 39.1348 175.2097 117 I 4.1214 7.2686 120.2513 61.3966 38.0159 175.6969 118 Q 4.4198 9.4994 127.5619 54.2997 31.9825 173.9988 119 L 4.7700 8.8089 127.1030 54.9418 42.8639 176.6516 120 I 4.7175 9.2205 123.9258 59.5020 40.2379 174.2973 121 K 3.9312 8.9155 129.6154 54.4562 33.9054 174.9111 122 V 4.5277 9.0273 129.6768 61.7251 33.3726 174.8430 123 V 4.6325 8.8045 129.5555 60.3850 31.9330 172.9325 124 P 4.8917 0.0000 0.0000 63.1954 31.4413 175.8128 125 H 4.9590 8.7798 115.9579 55.4312 30.5779 173.8491 126 G 4.3238 7.6990 105.4193 44.7057 0.0000 171.8075 127 V 4.9738 8.3091 121.6119 60.9520 34.3830 174.3251 128 E 4.7578 9.3987 127.4017 54.7858 32.7514 174.7041 129 C 5.0436 7.5536 115.4308 56.9403 33.3324 173.8466 130 W 4.8818 9.7273 119.4936 55.3085 31.5209 174.3683 131 L 5.2585 8.5635 123.8512 53.0799 43.9452 176.1669 132 S 4.7546 8.6294 114.9829 56.2700 66.6314 174.8053 133 G 3.7693 8.5575 110.8257 46.6828 0.0000 172.7164 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 S 8.33 4.57 0.00 3.88 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 3 N 7.58 4.88 0.00 2.71 2.71 0.00 0.00 6.74 6.81 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 4 Q 7.59 4.46 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 5 K 8.38 4.67 0.00 1.74 1.56 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 0.99 7.81 6 H 8.45 5.12 0.00 3.10 3.19 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.42 3.69 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.58 0.90 0.00 0.00 8 D 7.92 4.21 0.00 2.95 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 9 K 7.92 3.99 0.00 1.92 1.82 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.10 7.81 10 I 7.78 3.64 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.87 0.00 0.00 11 Q 8.49 3.87 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 12 A 7.84 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.52 2.16 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 0.85 0.00 0.00 0.94 0.00 0.00 14 I 8.00 3.54 1.73 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.87 0.50 0.00 0.00 15 K 7.86 4.03 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 16 D 7.83 4.64 0.00 2.82 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 17 V 6.81 4.23 2.34 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 1.10 0.00 0.00 1.10 0.00 0.00 18 K 8.81 3.90 0.00 1.61 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.91 7.81 19 F 7.82 5.11 0.00 3.09 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 20 A 8.47 4.24 1.01 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 *22 I 8.22 4.30 1.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.98 0.00 0.00 23 S 9.19 5.53 0.00 3.75 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 9.09 5.21 4.37 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 1.37 0.00 0.00 25 S 8.72 5.49 0.00 3.89 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 26 N 8.85 4.87 0.00 3.03 3.35 0.00 0.00 6.75 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 27 K 8.64 3.76 0.00 2.05 1.95 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.01 7.81 28 K 8.08 4.08 0.00 1.73 1.97 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 29 G 8.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.18 4.65 0.00 2.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.02 4.84 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.84 0.00 0.00 32 H 8.95 4.74 0.00 2.77 2.33 0.00 5.75 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.53 5.55 0.99 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 0.00 0.00 34 W 8.53 5.16 0.00 3.21 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 35 P 0.00 5.60 0.00 1.42 1.84 0.00 3.46 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 *37 T 8.15 4.40 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 1.06 0.00 0.00 38 T 8.62 3.81 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 1.08 0.00 0.00 39 S 8.57 4.42 0.00 4.05 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 40 E 7.54 4.87 0.00 2.02 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 2.38 2.32 0.00 41 V 8.40 4.51 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 0.71 0.00 0.00 0.87 0.00 0.00 42 N 9.19 4.79 0.00 2.79 2.77 0.00 0.00 6.85 6.19 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 43 L 8.75 4.04 0.00 1.73 1.69 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.30 4.36 0.00 2.78 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 45 N 8.80 4.53 0.00 2.72 2.91 0.00 0.00 7.10 7.28 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 46 K 7.77 3.78 0.00 1.93 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 47 E 8.29 4.60 0.00 1.89 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 0.00 2.07 2.28 0.00 48 I 8.89 4.94 1.96 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 1.24 1.09 0.87 0.00 0.00 49 W 9.09 5.29 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 9.58 5.25 0.00 3.12 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 51 I 8.84 4.63 1.81 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.53 0.98 0.00 0.00 52 G 9.42 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 53 D 8.36 5.69 0.00 2.85 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 54 K 9.27 4.08 0.00 1.77 1.88 0.00 1.90 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.69 7.81 55 T 7.72 4.13 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 1.31 0.00 0.00 56 S 7.64 4.24 0.00 3.82 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 57 D 8.28 4.27 0.00 2.38 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 6.48 2.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.73 0.00 0.00 59 V 7.28 3.45 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 1.08 0.00 0.00 0.94 0.00 0.00 60 K 7.89 3.80 0.00 1.93 1.93 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.48 7.81 61 D 8.36 4.40 0.00 2.87 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 62 I 7.65 4.15 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.90 0.00 0.00 63 Q 8.12 4.12 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 64 D 7.46 4.60 0.00 2.58 2.73 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 65 D 8.19 4.34 0.00 2.65 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 66 A 8.59 4.37 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 67 R 8.26 4.89 0.00 1.83 1.96 0.00 3.13 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 68 I 8.84 4.81 2.00 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 1.18 0.77 0.97 0.00 0.00 69 G 8.95 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.01 5.33 0.00 1.76 1.60 1.27 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.18 5.34 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 1.27 0.00 0.00 72 Y 9.11 4.91 0.00 2.97 2.89 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 73 A 8.75 4.98 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 74 T 8.28 4.26 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 1.16 0.00 0.00 75 Q 8.73 3.99 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.14 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 76 D 8.11 4.47 0.00 2.84 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 77 E 8.00 4.18 0.00 2.17 2.20 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 2.34 2.22 0.00 78 K 7.63 4.63 0.00 1.97 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.47 7.81 79 N 7.81 5.42 0.00 2.47 2.63 0.00 0.00 6.57 7.45 0.00 0.00 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 Y 9.36 5.40 0.00 3.18 2.93 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 0.00 0.00 0.00 81 V 9.33 4.98 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 1.07 0.00 0.00 1.01 0.00 0.00 82 S 9.98 5.34 0.00 4.24 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 83 I 9.25 5.02 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.97 0.00 0.00 84 S 8.95 4.96 0.00 3.88 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 85 G 8.63 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 0.00 0.00 0.00 0.00 86 D 8.97 5.56 0.00 2.60 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 87 A 8.99 5.01 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 88 E 9.60 4.63 0.00 1.73 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 2.21 2.22 0.00 89 L 7.97 4.90 0.00 1.60 1.60 0.92 1.05 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 90 P 0.00 4.59 0.00 2.33 2.15 0.00 4.06 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 91 T 8.20 4.42 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 1.19 0.00 0.00 92 D 8.22 4.45 0.00 2.71 2.48 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 93 K 8.48 3.75 0.00 1.85 1.73 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.53 1.08 7.81 94 A 7.99 3.90 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 95 K 8.47 3.62 0.00 1.80 1.65 0.00 1.10 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.30 0.55 7.81 96 L 7.98 3.85 0.00 1.58 1.65 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.30 4.43 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 7.49 3.92 0.00 1.79 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 0.00 2.25 2.29 0.00 99 L 7.58 4.24 0.00 1.62 1.65 0.67 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 100 W 7.36 4.54 0.00 3.42 2.96 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 0.00 0.00 0.00 0.00 101 S 7.66 4.79 0.00 3.50 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 0.00 102 P 0.00 4.36 0.00 1.91 2.07 0.00 3.57 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 1.97 2.12 0.00 103 V 7.14 3.23 1.13 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 0.48 0.00 0.00 0.54 0.00 0.00 104 Y 6.69 3.94 0.00 1.43 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.22 4.78 0.00 4.12 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 0.00 106 A 7.65 4.08 1.14 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 0.00 107 F 7.38 5.10 0.00 2.77 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 0.00 108 F 7.92 4.69 0.00 3.54 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 0.00 109 A 9.05 4.08 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 0.00 110 N 9.45 4.95 0.00 2.86 2.81 0.00 0.00 6.89 7.92 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 0.00 111 G 8.49 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 0.00 112 K 8.25 2.99 0.00 1.28 1.30 0.00 1.30 0.00 0.00 1.20 0.00 0.00 2.81 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.30 0.29 7.81 113 E 7.30 4.22 0.00 1.90 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 2.21 2.15 0.00 114 D 7.91 4.36 0.00 2.85 2.34 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 0.00 115 A 8.64 4.07 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 0.00 116 N 8.59 4.67 0.00 3.23 3.21 0.00 0.00 6.85 7.31 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 0.00 117 I 7.27 4.12 1.74 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.36 0.81 0.00 0.00 118 Q 9.50 4.42 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 119 L 8.81 4.77 0.00 1.95 1.99 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 120 I 9.22 4.72 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 0.97 0.00 0.00 121 K 8.92 3.93 0.00 0.87 1.27 0.00 1.29 0.00 0.00 1.46 0.00 0.00 2.62 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.68 0.21 7.81 122 V 9.03 4.53 2.26 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 0.90 0.00 0.00 1.09 0.00 0.00 123 V 8.80 4.63 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 0.96 0.00 0.00 0.84 0.00 0.00 124 P 0.00 4.89 0.00 2.11 2.05 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 125 H 8.78 4.96 0.00 3.11 3.43 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.70 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 0.00 127 V 8.31 4.97 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 0.85 0.00 0.00 0.94 0.00 0.00 128 E 9.40 4.76 0.00 1.64 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 2.16 2.31 0.00 129 C 7.55 5.04 0.00 3.05 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 0.00 130 W 9.73 4.88 0.00 3.45 3.13 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 0.00 131 L 8.56 5.26 0.00 1.50 1.57 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 132 S 8.63 4.75 0.00 3.80 3.75 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 0.00 133 G 8.56 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.