NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1C H 4.6954 8.4449 117.3643 54.3603 30.3567 173.7988 1D H 4.4126 8.1290 113.5068 57.5062 29.0948 172.8220 1E H 5.1164 7.6896 115.1046 53.5007 33.4824 171.7853 1F H 4.6750 8.8915 116.6532 55.8485 29.0422 174.3891 1G F 4.9512 8.3961 119.5007 57.8530 39.9267 174.2164 2 N 4.6286 8.4580 117.3483 52.3320 38.9395 174.5704 3 L 4.8579 8.0534 123.2052 51.9136 44.3977 174.6243 4 P 4.5277 0.0000 0.0000 61.2074 32.3369 174.4546 5 P 4.2696 0.0000 0.0000 62.5123 31.6022 176.2251 6 G 3.6646 8.4061 111.0054 47.5052 0.0000 174.5803 7 N 4.8047 6.8975 117.3024 51.6434 38.8108 173.4565 8 Y 5.0325 7.3031 117.1926 58.3502 40.6965 178.5584 9 K 4.2175 8.3739 121.4976 56.8633 32.0554 182.5699 10 K 4.7935 7.5951 116.8974 53.0766 35.0133 174.0922 11 P 4.7480 0.0000 0.0000 63.2595 32.2172 175.2033 12 K 4.9543 9.3500 119.4211 55.0507 37.4373 174.9368 13 L 5.1331 9.2227 121.6777 53.5609 44.1198 176.2419 14 L 5.0142 8.8945 123.7365 53.6776 42.6535 174.1647 15 Y 5.0364 9.2094 126.5674 56.6927 40.5162 173.6444 16 C 3.7362 8.6901 128.3999 57.9323 31.9591 173.9862 17 S 3.5709 7.9544 122.6577 61.3488 62.0368 174.6104 18 N 4.0016 8.0834 117.2078 55.9389 38.7395 174.9836 19 G 3.8683 7.5555 104.5351 44.4431 0.0000 172.6281 20 G 3.4907 7.4597 106.5549 44.8069 0.0000 173.6004 21 H 4.9673 7.1974 114.4966 53.6937 32.5780 174.5743 22 F 5.3889 9.4100 121.4577 55.8386 40.3455 175.3115 23 L 4.5139 8.9899 126.1988 55.8838 43.3020 175.7987 24 R 5.2222 9.3823 125.3100 54.9518 34.0591 173.5258 25 I 5.0188 8.2533 126.6993 59.5175 39.2031 175.8141 26 L 4.1638 9.4593 128.8847 53.3423 42.3807 176.5448 27 P 4.3123 0.0000 0.0000 65.9601 31.2513 177.3612 28 D 4.5308 8.0218 114.2600 53.5401 39.5723 176.9238 29 G 4.4822 8.8061 108.5156 46.0569 0.0000 173.7681 30 T 4.4388 8.2149 116.9925 62.8497 69.2500 173.9702 31 V 4.9534 7.7641 124.0764 61.3410 34.6332 174.6732 32 D 4.5515 8.3334 123.4570 53.2276 43.3779 174.2240 33 G 4.5523 8.9235 105.2961 45.2727 0.0000 172.5854 34 T 4.9940 9.0664 116.3912 60.3552 71.0043 174.5760 35 R 4.1833 8.8820 124.4390 56.4310 31.1154 176.0314 36 D 4.6600 8.2017 119.8583 53.2116 40.7466 176.6123 37 R 3.7258 8.7470 127.1773 57.6412 30.3001 176.6478 38 S 4.5220 9.0652 111.9733 58.5515 63.4778 173.9305 39 D 4.4012 7.6449 121.2654 54.8935 41.3050 175.9962 40 Q 4.2244 8.4397 123.1789 56.7939 29.1032 175.8253 41 H 4.8009 9.1657 116.3538 55.4982 29.5555 174.4133 42 I 4.6702 7.2315 110.2215 59.9437 38.4780 174.7675 43 Q 4.5292 7.3046 122.8280 54.7296 30.4697 174.5260 44 F 5.2294 9.1561 122.7532 55.5540 43.2889 174.0665 45 Q 4.9090 9.5955 124.0942 54.6314 30.6622 174.5055 46 L 5.3134 8.6993 126.6579 53.8925 43.9073 176.1964 47 S 4.3818 8.5013 114.2035 56.8747 66.8286 172.6208 48 A 4.5843 7.8079 123.6289 51.1569 19.1426 177.0956 49 E 4.1379 8.9778 122.3428 58.0203 30.5753 176.5922 50 S 4.5684 7.3339 112.2404 56.6094 67.0383 173.3986 51 V 3.7486 8.2744 122.0837 64.7888 31.4526 176.4990 52 G 3.9877 9.2100 115.3891 45.1565 0.0000 171.7313 53 E 5.1051 8.2166 120.3375 54.7311 31.8420 175.6759 54 V 4.8710 8.9857 116.8105 59.8915 36.9971 173.7717 55 Y 5.4414 8.5457 119.0601 56.6021 41.0419 175.4564 56 I 4.4058 8.6740 123.4159 59.5860 39.8913 173.7176 57 K 4.6808 8.7923 129.3865 54.0678 34.5537 175.2401 58 S 4.4584 9.0479 123.7104 58.6092 62.6011 174.9442 59 T 4.0237 8.4374 118.7751 64.5892 68.7275 175.8520 60 E 4.0233 8.1688 122.5344 58.2744 29.9154 177.0117 61 T 4.2779 8.0631 106.9204 60.7834 70.2133 175.6898 62 G 3.8466 8.4469 109.8905 45.1160 0.0000 173.7104 63 Q 4.3569 7.5401 119.8172 56.2156 30.0614 174.8212 64 Y 4.8737 9.3730 121.8648 56.3459 40.0281 174.9417 65 L 4.4103 8.9188 126.7374 55.2839 43.4406 175.5812 66 A 5.1347 8.9135 126.5891 50.8596 23.4219 174.3313 67 M 5.3262 8.5422 118.9523 53.8071 34.7778 175.4848 68 D 5.2503 9.6666 126.7223 52.6805 40.9479 176.9450 69 T 3.9642 8.5856 113.0085 65.0154 67.1926 174.0196 70 D 4.6985 8.8045 119.2087 54.0343 41.2729 177.2136 71 G 3.3513 8.6526 109.0735 44.7904 0.0000 173.2143 72 L 4.4551 7.8111 120.4921 53.9670 42.5145 175.8618 73 V 4.7161 8.3165 124.0940 62.7517 32.4684 174.3748 74 Y 4.9470 9.2398 125.1495 55.7499 42.3629 173.5736 75 G 4.2762 8.7174 107.1682 44.9117 0.0000 173.1944 76 S 5.0542 9.3515 122.0670 56.7314 63.8745 175.2758 77 Q 3.8607 9.1422 126.2933 58.2442 28.9052 176.6416 78 T 4.6571 7.5305 105.8432 58.5175 71.6025 171.6661 79 P 3.6285 0.0000 0.0000 62.4081 32.0581 175.1126 80 N 4.9527 8.0274 117.7364 51.1851 40.2852 174.6617 81 E 4.1978 8.7663 115.1492 59.2739 29.6420 178.3869 82 E 4.0109 8.9705 118.3944 57.6555 29.8024 177.6144 83 C 4.9252 8.2553 115.5169 59.7202 29.1384 173.6438 84 L 4.7122 7.2732 120.8255 54.0365 42.7508 175.9478 85 F 5.2835 9.1382 121.2552 55.6096 43.4488 174.3393 86 L 4.7638 9.6177 124.3055 54.0001 42.4448 175.6862 87 E 4.5261 9.0264 127.1958 55.5439 30.0829 175.8492 88 R 4.8377 8.6647 125.5763 54.0575 34.7955 174.5075 89 L 4.7747 8.5360 123.3876 54.9764 43.1905 175.7742 90 E 4.6640 9.0383 125.4707 55.2006 33.8431 174.9880 91 E 3.9354 9.7951 123.7648 57.4807 27.2947 176.6028 92 N 4.4242 8.6134 113.7654 54.3300 37.1457 174.7504 93 H 4.7810 7.9328 110.6359 55.0002 31.7541 172.5525 94 Y 4.8099 8.3621 117.7238 56.6046 41.0451 173.9510 95 N 5.6008 9.6584 117.7814 51.8964 41.5140 174.4976 96 T 5.0608 9.0610 112.4476 60.1029 72.8877 172.7561 97 Y 4.9679 8.5636 119.4302 56.5905 41.1214 174.1173 98 I 4.5575 8.6346 126.2102 59.4295 39.3426 175.5672 99 S 4.1785 8.9460 122.8464 58.3083 62.3503 173.8186 100 K 3.9578 8.6652 129.3873 59.4533 32.2540 178.6075 101 K 3.7275 7.9421 117.9613 59.1586 32.1394 176.7382 102 H 4.6597 7.9828 114.4692 55.0890 29.3673 176.1764 103 A 3.8721 7.7715 126.3219 55.3294 18.1753 180.7963 104 E 3.6867 7.7656 111.7432 58.2943 29.7148 177.6083 105 K 4.0819 7.6393 117.6744 55.5493 32.9674 175.7058 106 N 3.9499 7.5468 115.6175 53.9417 36.3270 174.5309 107 W 5.0518 7.6076 117.7296 55.7561 31.2459 177.4392 108 F 5.4786 9.3272 123.1946 55.2439 42.2449 174.4157 109 L 4.4231 9.0614 122.6521 54.9326 43.0315 175.7694 110 G 4.4675 8.5447 111.0827 45.3332 0.0000 171.5707 111 I 5.0022 7.9624 122.6565 58.9251 39.9904 176.2122 112 K 4.2026 8.9162 126.8392 55.6581 32.6677 178.3506 113 K 3.9770 8.4136 119.5956 59.2452 31.9589 177.9290 114 N 4.5516 8.0795 114.0586 52.6968 37.7176 175.8774 115 G 3.5361 8.1974 108.3604 45.2895 0.0000 173.0124 116 S 4.9635 8.0455 115.4150 56.8042 64.9575 174.1882 117 V 4.2456 8.2451 122.6491 61.7021 32.0890 175.9246 118 K 4.3264 8.6764 123.2622 55.8117 33.2934 176.7170 119 R 4.1947 8.5473 122.7219 55.5620 31.0427 177.3502 120 G 3.0002 7.8647 113.8360 48.2516 0.0000 174.2672 121 P 4.3193 0.0000 0.0000 64.3592 31.5304 177.9932 122 R 4.1159 7.8635 116.5684 57.5761 30.3191 176.7489 123 T 4.9314 7.6441 107.8551 60.1843 70.5003 173.5034 124 H 4.7367 7.9009 114.4508 54.9367 30.4332 173.1962 125 Y 3.9407 8.8070 118.9426 59.9806 38.1115 177.0447 126 G 4.0647 9.0300 111.8186 45.4449 0.0000 173.8984 127 Q 4.2080 7.7111 120.9067 55.8676 29.7598 177.6663 128 K 3.9390 8.2790 120.5003 56.4898 32.5552 180.2513 129 A 3.9910 7.7644 120.1389 55.0447 18.3640 178.5552 130 I 4.3820 7.2199 106.2230 60.5774 38.4767 175.3054 131 L 4.3742 7.3626 123.3196 53.8770 42.7064 175.6926 132 F 5.4391 9.1952 122.6296 55.4490 43.1422 174.1861 133 L 5.2879 9.2427 123.8557 52.7174 44.7104 173.5767 134 P 5.2360 0.0000 0.0000 62.6241 31.9956 175.5466 135 L 4.9326 9.1863 125.7699 51.9499 44.2674 174.6789 136 P 4.6285 0.0000 0.0000 62.8767 32.2351 176.4944 137 V 3.7416 8.1952 119.8589 63.2845 31.5187 175.7702 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 *1C H 8.44 4.70 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.13 4.41 0.00 3.13 3.32 0.00 5.61 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.69 5.12 0.00 3.20 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.89 4.68 0.00 3.34 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.40 4.95 0.00 2.85 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 2 N 8.46 4.63 0.00 2.96 2.78 0.00 0.00 6.84 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.05 4.86 0.00 1.45 1.39 0.48 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.53 0.00 2.15 2.21 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 5 P 0.00 4.27 0.00 2.15 2.08 0.00 3.78 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 1.97 1.96 0.00 6 G 8.41 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 6.90 4.80 0.00 2.71 2.60 0.00 0.00 6.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.30 5.03 0.00 3.01 3.19 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 9 K 8.37 4.22 0.00 1.77 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 10 K 7.60 4.79 0.00 1.72 1.73 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.75 0.00 2.06 2.05 0.00 3.72 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 1.97 1.99 0.00 12 K 9.35 4.95 0.00 1.70 1.88 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.62 7.81 13 L 9.22 5.13 0.00 1.74 1.73 0.62 0.89 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 14 L 8.89 5.01 0.00 1.48 1.53 0.18 0.82 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 15 Y 9.21 5.04 0.00 3.36 3.18 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 16 C 8.69 3.74 0.00 2.37 2.38 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 17 S 7.95 3.57 0.00 3.74 3.33 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 18 N 8.08 4.00 0.00 2.53 2.64 0.00 0.00 6.74 7.98 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 19 G 7.56 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.20 4.97 0.00 3.00 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.41 5.39 0.00 3.09 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 23 L 8.99 4.51 0.00 1.81 1.53 0.82 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.38 5.22 0.00 2.02 1.93 0.00 3.22 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 25 I 8.25 5.02 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.97 0.00 0.00 26 L 9.46 4.16 0.00 1.73 1.53 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.31 0.00 2.00 2.10 0.00 3.49 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 28 D 8.02 4.53 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 29 G 8.81 4.48 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 0.00 30 T 8.21 4.44 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 1.24 0.00 0.00 31 V 7.76 4.95 2.12 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 0.89 0.00 0.00 0.97 0.00 0.00 32 D 8.33 4.55 0.00 2.89 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 33 G 8.92 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 9.07 4.99 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 1.40 0.00 0.00 35 R 8.88 4.18 0.00 1.88 1.98 0.00 3.21 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 36 D 8.20 4.66 0.00 2.84 2.64 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 37 R 8.75 3.73 0.00 1.93 1.89 0.00 3.46 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 1.30 0.70 0.00 38 S 9.07 4.52 0.00 3.92 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 39 D 7.64 4.40 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.44 4.22 0.00 1.82 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.24 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 41 H 9.17 4.80 0.00 3.28 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.23 4.67 1.94 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 1.06 0.00 0.00 43 Q 7.30 4.53 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 44 F 9.16 5.23 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.60 4.91 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 46 L 8.70 5.31 0.00 1.89 1.79 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.50 4.38 0.00 3.84 3.93 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 48 A 7.81 4.58 1.03 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 49 E 8.98 4.14 0.00 1.59 1.78 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 1.50 1.47 0.00 50 S 7.33 4.57 0.00 3.93 3.70 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 51 V 8.27 3.75 2.31 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 0.92 0.00 0.00 1.02 0.00 0.00 52 G 9.21 3.99 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 0.00 53 E 8.22 5.11 0.00 2.07 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 54 V 8.99 4.87 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 0.78 0.00 0.00 1.18 0.00 0.00 55 Y 8.55 5.44 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.67 4.41 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 0.82 0.73 0.39 0.00 0.00 57 K 8.79 4.68 0.00 1.38 1.58 0.00 1.18 0.00 0.00 1.14 0.00 0.00 2.72 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.98 0.42 7.81 58 S 9.05 4.46 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.44 4.02 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 1.14 0.00 0.00 60 E 8.17 4.02 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 61 T 8.06 4.28 4.23 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 1.22 0.00 0.00 62 G 8.45 3.85 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 0.00 0.00 0.00 63 Q 7.54 4.36 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.35 0.00 64 Y 9.37 4.87 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.92 4.41 0.00 1.52 1.38 0.70 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.91 5.13 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 67 M 8.54 5.33 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.64 0.00 68 D 9.67 5.25 0.00 2.93 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 69 T 8.59 3.96 4.33 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 1.27 0.00 0.00 70 D 8.80 4.70 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 71 G 8.65 3.35 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 72 L 7.81 4.46 0.00 2.14 1.65 0.91 0.80 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 73 V 8.32 4.72 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 0.82 0.00 0.00 1.00 0.00 0.00 74 Y 9.24 4.95 0.00 3.01 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 75 G 8.72 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 0.00 0.00 0.00 0.00 76 S 9.35 5.05 0.00 3.89 3.76 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 77 Q 9.14 3.86 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.53 4.66 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 1.22 0.00 0.00 79 P 0.00 3.63 0.00 1.50 0.49 0.00 3.48 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.13 0.00 80 N 8.03 4.95 0.00 2.91 2.91 0.00 0.00 6.00 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 81 E 8.77 4.20 0.00 2.13 2.25 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 2.36 2.31 0.00 82 E 8.97 4.01 0.00 2.29 2.30 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 2.40 2.35 0.00 83 C 8.26 4.93 0.00 3.16 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 84 L 7.27 4.71 0.00 1.54 1.44 0.84 0.29 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 85 F 9.14 5.28 0.00 3.10 3.05 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 86 L 9.62 4.76 0.00 1.47 1.64 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 9.03 4.53 0.00 2.21 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 2.22 2.02 0.00 88 R 8.66 4.84 0.00 1.78 1.83 0.00 3.10 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 89 L 8.54 4.77 0.00 1.60 1.66 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.04 4.66 0.00 2.19 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 2.27 2.41 0.00 91 E 9.80 3.94 0.00 2.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 92 N 8.61 4.42 0.00 2.51 2.73 0.00 0.00 6.89 8.16 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 93 H 7.93 4.78 0.00 2.65 3.00 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.36 4.81 0.00 3.02 2.97 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 95 N 9.66 5.60 0.00 2.96 2.43 0.00 0.00 6.96 6.91 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 96 T 9.06 5.06 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 1.30 0.00 0.00 97 Y 8.56 4.97 0.00 2.72 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 98 I 8.63 4.56 1.69 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.77 0.58 0.00 0.00 99 S 8.95 4.18 0.00 3.91 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 0.00 100 K 8.67 3.96 0.00 1.75 1.70 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.32 7.81 101 K 7.94 3.73 0.00 1.61 1.63 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.89 1.25 7.81 102 H 7.98 4.66 0.00 3.09 2.22 0.00 5.69 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 0.00 103 A 7.77 3.87 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 0.00 104 E 7.77 3.69 0.00 1.86 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 2.07 2.13 0.00 105 K 7.64 4.08 0.00 0.93 1.32 0.00 1.46 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.04 7.81 106 N 7.55 3.95 0.00 3.08 3.12 0.00 0.00 6.90 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 0.00 107 W 7.61 5.05 0.00 3.27 3.05 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 0.00 108 F 9.33 5.48 0.00 2.78 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 0.00 109 L 9.06 4.42 0.00 1.58 1.52 0.76 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.54 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 0.00 111 I 7.96 5.00 1.74 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.84 0.00 0.00 112 K 8.92 4.20 0.00 1.93 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.47 7.81 113 K 8.41 3.98 0.00 1.71 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 114 N 8.08 4.55 0.00 2.79 2.90 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.20 3.54 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 0.00 116 S 8.05 4.96 0.00 3.90 3.96 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 0.00 117 V 8.25 4.25 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 0.78 0.00 0.00 1.02 0.00 0.00 118 K 8.68 4.33 0.00 1.63 1.72 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 119 R 8.55 4.19 0.00 1.73 1.61 0.00 3.21 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.54 0.00 120 G 7.86 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 0.00 0.00 0.00 121 P 0.00 4.32 0.00 2.00 2.25 0.00 2.87 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 1.80 1.99 0.00 122 R 7.86 4.12 0.00 1.81 1.93 0.00 3.28 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 123 T 7.64 4.93 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 1.36 0.00 0.00 124 H 7.90 4.74 0.00 3.38 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.81 3.94 0.00 3.13 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 0.00 126 G 9.03 4.06 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 0.00 127 Q 7.71 4.21 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 128 K 8.28 3.94 0.00 1.68 1.81 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.00 7.81 129 A 7.76 3.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.22 4.38 1.64 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.84 0.56 0.00 0.00 131 L 7.36 4.37 0.00 0.92 0.63 0.57 0.90 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 0.00 132 F 9.20 5.44 0.00 3.39 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 0.00 133 L 9.24 5.29 0.00 2.14 1.84 0.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.24 0.00 2.22 2.21 0.00 3.93 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 2.07 2.17 0.00 135 L 9.19 4.93 0.00 1.69 1.66 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 137 V 8.20 3.74 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 0.70 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.