NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8153 8.1676 115.8790 57.0661 40.4057 177.6338 11 H 3.9766 5.2900 118.9381 54.0569 28.9352 170.4006 12 E 4.3620 9.4561 122.4928 57.4989 29.9993 176.7592 13 M 4.5846 7.1516 114.0538 54.9976 32.3633 176.3881 14 R 4.5651 7.7249 116.7869 55.5142 32.6401 175.4728 15 E 4.0988 8.0079 117.3764 54.9422 30.2943 174.4827 16 P 4.2161 0.0000 0.0000 62.5675 32.4215 175.0282 17 R 4.1577 7.4457 113.1582 55.5602 32.9640 173.7306 18 I 4.3475 8.4944 121.8346 60.6674 38.2497 174.9259 19 E 4.4875 8.8278 129.0679 54.4572 31.3470 172.1387 20 K 4.5292 8.7453 132.1612 55.3709 34.0640 174.5333 21 V 4.5244 7.8232 119.3900 61.2879 34.7777 173.9583 22 V 4.3820 8.3169 128.9661 61.6533 33.1209 174.9583 23 V 5.1263 8.3218 122.7209 59.3483 33.2990 174.6079 24 H 5.1523 8.5381 124.8491 54.5847 33.5292 172.0419 25 M 4.1633 8.5193 124.7898 53.3948 33.1937 175.1216 26 G 4.0803 8.0193 112.0947 46.1630 0.0000 171.4542 27 I 4.1694 7.6684 127.2641 60.2646 39.6824 176.1100 28 G 4.0688 7.7456 111.3894 45.4731 0.0000 172.6271 29 H 4.5355 7.8802 117.2868 55.4430 30.1591 173.6432 *35 A 4.1958 7.0387 123.2865 51.9918 19.3249 176.2964 36 N 4.3861 8.8374 112.2254 56.4159 36.3869 176.5919 37 A 4.0756 7.9788 122.5378 54.6308 18.3540 178.8692 38 E 3.9036 8.6199 118.1608 60.1733 29.4589 179.1973 39 D 4.4442 7.5021 118.9449 57.6513 40.9327 179.7060 40 I 3.7743 7.5321 112.8310 63.9642 37.5550 178.1923 41 L 4.1561 7.8816 120.4920 57.4926 41.4504 179.4485 42 G 3.6339 8.3665 105.9623 47.8149 0.0000 175.5671 43 E 4.0650 7.8014 119.9402 58.9329 29.7430 178.7901 44 I 3.9291 8.3060 118.4679 63.1704 38.0405 176.7160 45 T 4.5767 7.8833 108.5228 64.3280 70.0862 174.9449 46 G 3.9530 7.3434 108.3827 44.3202 0.0000 173.3167 47 Q 4.5788 7.7690 115.3225 54.2895 31.5842 174.1544 48 M 3.8139 8.5227 118.5516 55.6991 32.4639 174.7484 49 P 4.8362 0.0000 0.0000 61.7396 33.4851 175.1263 50 V 4.4630 8.3434 120.5358 60.8160 34.2838 175.3370 51 R 4.3699 8.7405 125.7454 57.2624 31.2053 176.7612 52 T 4.4987 8.7095 117.8280 61.4278 70.2334 173.9852 53 K 5.2963 8.7865 124.6518 55.7348 33.2339 175.7439 54 A 4.8880 8.7679 122.8382 50.2324 22.0678 175.6803 55 K 4.5586 8.4481 117.6101 55.6500 34.9780 174.8575 56 R 4.1633 8.6297 123.9408 56.3186 29.7336 175.9864 57 T 4.6567 8.2363 117.2932 62.5655 70.0385 174.5114 58 V 4.5418 9.0933 125.1523 60.8268 35.0544 175.7033 59 G 3.7984 8.8726 112.6573 48.7071 0.0000 174.9362 60 E 4.2504 8.0997 118.5643 58.3396 28.1101 176.0828 61 F 4.1544 7.7309 112.7745 60.1403 38.7446 174.9669 62 D 4.9161 7.8928 119.1147 51.6843 40.2116 175.5094 63 I 3.9453 7.7431 115.0929 60.9357 39.5641 177.3966 64 R 3.8414 7.9432 121.4796 56.4160 29.4499 174.6591 65 E 4.0402 8.1871 129.0009 58.5537 29.2971 176.2734 66 G 3.8807 7.9830 109.6596 46.4765 0.0000 171.9224 67 D 4.5040 8.2997 120.8897 51.7023 42.3291 173.6659 68 P 4.5593 0.0000 0.0000 62.5450 31.6944 176.6655 69 I 4.6545 9.0205 126.0514 59.1175 39.6016 174.8996 70 G 4.4911 7.5339 107.6902 43.4266 0.0000 172.2062 71 A 5.9024 8.0744 121.1679 49.5367 23.3533 174.8789 72 K 5.0137 8.2673 116.6313 55.9916 36.8805 175.4069 73 V 4.5712 8.4491 120.2975 61.7814 35.0122 173.2529 74 T 4.7324 8.5462 118.7630 60.3297 70.0107 173.7701 75 L 4.7772 8.3774 126.8994 52.8594 44.2717 175.9929 76 R 4.7644 7.9932 120.4793 54.7522 34.0432 176.6398 77 D 4.3341 8.9059 120.0498 55.5960 39.0954 176.4981 78 E 3.9718 8.9312 123.0239 61.0068 28.4981 178.4159 79 M 4.1907 8.2614 117.8263 58.5043 31.8166 178.5041 80 A 4.3769 7.9716 120.6781 54.8448 18.8476 179.4177 81 E 3.9439 8.0275 116.6251 59.6605 29.6101 179.0580 82 E 4.1830 8.4827 118.1509 59.0097 29.8549 179.0265 83 F 4.4194 7.5824 120.9276 60.7333 39.9318 177.6761 84 L 4.2504 8.3072 118.3849 57.4160 41.0431 179.0296 85 Q 4.3088 8.1397 115.6991 56.4576 28.3072 176.1459 86 T 4.5493 7.7183 109.2245 61.6735 74.5151 175.5481 87 A 3.9675 7.7011 124.6236 54.5080 18.2807 179.1075 88 L 3.5135 7.9210 116.0470 57.7762 41.6495 178.0343 89 P 4.1426 0.0000 0.0000 65.5357 31.2399 177.5569 90 L 4.4247 8.0846 115.1591 53.8673 41.8711 176.0750 91 A 4.8716 7.8283 121.8728 50.4503 22.0747 175.2557 92 E 4.4200 8.3220 115.9701 58.5169 31.7808 176.6789 93 L 3.7375 6.9460 116.1598 52.8877 43.3262 175.6862 94 A 4.4899 8.5869 122.2963 52.5717 21.3595 174.7003 95 T 3.1929 8.7523 111.1446 62.7144 69.4597 173.8732 96 S 3.7963 8.6893 119.2740 60.5612 63.3189 173.3839 97 Q 4.5888 10.7000 119.4766 55.8217 28.5143 174.6007 98 F 4.9990 7.7196 114.1007 54.9363 41.3882 174.9948 99 D 4.6800 9.7550 123.6940 54.4129 41.6379 175.9540 100 D 4.7036 8.5415 119.9063 55.3360 41.2630 177.5333 101 T 4.5797 7.2798 113.0649 62.2848 68.8382 174.6053 102 G 3.9494 8.3434 108.7447 46.5360 0.0000 173.0890 103 N 5.2653 7.7270 116.5291 51.2161 41.8173 173.2267 104 F 4.4104 7.3384 108.7125 56.3383 41.1008 173.0196 105 S 5.0756 8.2379 117.6853 56.4637 64.9485 172.8412 106 F 4.9245 8.7217 120.5889 55.5279 41.5714 172.6049 107 G 4.2395 8.9438 102.2011 44.3862 0.0000 173.0819 *128 L 4.0294 8.5150 122.6559 55.1322 43.6396 176.2977 129 D 4.8896 8.5610 125.7840 52.6941 44.0255 176.0326 130 V 4.2278 8.0347 121.0849 61.7896 34.4187 174.0538 131 T 4.6748 8.5858 125.3654 61.6877 71.5891 174.2088 132 V 4.2274 7.7494 124.0938 61.0950 34.3541 173.6982 133 N 4.6453 8.6474 127.6247 52.4317 40.1309 173.5916 134 L 5.2615 8.2130 125.9359 53.2514 44.4081 175.8046 135 V 4.2802 7.9168 120.6381 61.3178 35.0674 171.6525 136 R 4.4312 8.1867 116.5415 54.7886 31.5109 177.3085 137 P 3.9876 0.0000 0.0000 65.2243 31.9446 177.2408 138 G 4.1678 7.7877 106.4080 45.9845 0.0000 175.4095 139 Y 4.2276 8.1506 122.9467 60.0956 38.9530 175.9852 140 R 3.9889 8.2699 119.4303 59.4937 29.8676 178.1811 141 V 3.5415 7.5139 116.2981 65.1693 31.1873 176.7238 142 A 4.9531 7.6718 119.3186 51.0504 19.4405 177.0991 143 K 4.2985 7.6161 115.4034 55.6745 33.9105 176.6014 144 R 4.3190 7.5669 115.3496 55.2542 30.8618 176.4640 145 D 4.4467 8.4451 117.3430 57.0562 41.2347 177.6641 146 K 4.0059 7.9339 118.4816 57.5906 32.6412 176.9309 147 A 3.7510 8.7882 124.2938 52.3770 16.2876 176.8160 148 S 4.4877 7.1372 113.4186 61.0606 63.8626 173.2986 149 R 4.5619 8.7920 118.7835 55.3718 33.7581 173.5303 150 S 4.6520 8.5092 118.6447 57.4097 63.5139 173.8562 151 I 3.8735 8.2758 127.7634 60.4678 37.5684 174.3193 152 P 4.3726 0.0000 0.0000 62.8404 32.0849 177.2523 153 T 3.9416 8.7553 111.8847 64.9426 68.7422 176.4951 154 K 3.9456 8.1129 120.2427 59.4755 32.1243 177.1560 155 H 4.5388 7.9507 114.9901 56.5518 29.8983 175.1800 156 R 4.2658 7.5742 117.5802 56.3577 30.4410 175.2231 157 L 4.5064 8.1565 120.8621 53.8768 43.2853 175.7932 158 N 4.7180 8.2220 123.0638 51.6506 41.0793 174.5293 159 P 4.3317 0.0000 0.0000 65.9989 31.4392 178.6436 160 A 3.8707 7.9290 118.7902 55.3494 18.3675 179.1050 161 D 4.4328 8.2023 116.0032 56.6911 40.8753 178.9726 162 A 4.1619 7.5891 121.8045 54.8800 19.0304 179.2946 163 V 3.1564 7.5565 116.4778 66.2490 31.2942 177.7464 164 A 3.8936 7.8749 120.0118 55.2159 18.0075 178.9142 165 F 4.1409 7.6102 117.1888 61.8144 39.6556 177.4438 166 I 3.5157 7.8502 118.7378 64.4062 36.8215 177.8596 167 E 4.5696 8.1908 120.4312 58.5500 29.4082 177.6636 168 S 4.5343 8.0710 112.1276 57.8608 64.8111 175.0638 169 T 4.7478 7.9216 112.6264 62.7328 70.7687 173.2469 170 Y 3.4046 7.9154 116.8469 57.8504 35.1416 169.0033 171 D 4.4275 6.9061 117.3094 54.1165 43.7971 175.4233 172 V 4.7359 7.9792 117.0622 61.2641 35.7148 178.2984 173 E 4.3606 8.9770 122.3910 56.3740 28.7592 177.3265 174 V 4.0406 7.7643 116.6487 63.7685 31.7698 175.0673 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 10 F 8.17 4.82 0.00 3.35 3.32 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 11 H 5.29 3.98 0.00 3.08 2.27 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.46 4.36 0.00 1.63 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 2.06 2.17 0.00 13 M 7.15 4.58 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 14 R 7.72 4.57 0.00 1.77 1.97 0.00 3.43 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 15 E 8.01 4.10 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 16 P 0.00 4.22 0.00 1.00 1.62 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 17 R 7.45 4.16 0.00 1.80 1.82 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 18 I 8.49 4.35 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.97 0.00 0.00 19 E 8.83 4.49 0.00 1.81 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 20 K 8.75 4.53 0.00 2.08 1.95 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.30 7.81 21 V 7.82 4.52 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 0.96 0.00 0.00 0.96 0.00 0.00 22 V 8.32 4.38 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.84 0.00 0.00 23 V 8.32 5.13 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 -0.14 0.00 0.00 0.70 0.00 0.00 24 H 8.54 5.15 0.00 3.16 2.98 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.52 4.16 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 26 G 8.02 4.08 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 0.00 0.00 0.00 27 I 7.67 4.17 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.75 0.00 0.00 28 G 7.75 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 7.88 4.54 0.00 3.16 3.34 0.00 5.76 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 *35 A 7.04 4.20 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 36 N 8.84 4.39 0.00 2.92 3.13 0.00 0.00 5.87 7.46 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 37 A 7.98 4.08 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 38 E 8.62 3.90 0.00 1.96 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 0.00 2.32 2.50 0.00 39 D 7.50 4.44 0.00 2.70 2.74 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 0.00 0.00 0.00 40 I 7.53 3.77 1.88 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 1.70 1.01 0.91 0.00 0.00 41 L 7.88 4.16 0.00 1.91 1.72 0.92 0.87 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 42 G 8.37 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.80 4.07 0.00 1.92 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 0.00 2.35 2.50 0.00 44 I 8.31 3.93 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.86 1.08 0.00 0.00 45 T 7.88 4.58 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 0.95 0.00 0.00 46 G 7.34 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 47 Q 7.77 4.58 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.52 3.81 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 P 0.00 4.84 0.00 1.90 1.94 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 50 V 8.34 4.46 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 1.05 0.00 0.00 0.91 0.00 0.00 51 R 8.74 4.37 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.71 4.50 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 1.21 0.00 0.00 53 K 8.79 5.30 0.00 1.63 1.74 0.00 1.72 0.00 0.00 2.36 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.77 4.89 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 55 K 8.45 4.56 0.00 1.62 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.63 4.16 0.00 1.99 2.00 0.00 3.20 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.24 4.66 4.26 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 1.24 0.00 0.00 58 V 9.09 4.54 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 0.99 0.00 0.00 0.94 0.00 0.00 59 G 8.87 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 0.00 0.00 0.00 60 E 8.10 4.25 0.00 2.14 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 0.00 2.31 2.34 0.00 61 F 7.73 4.15 0.00 3.03 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 62 D 7.89 4.92 0.00 2.96 2.55 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 63 I 7.74 3.95 1.93 0.00 0.00 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 1.46 0.87 1.05 0.00 0.00 64 R 7.94 3.84 0.00 1.77 2.05 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 65 E 8.19 4.04 0.00 2.02 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 2.29 2.32 0.00 66 G 7.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.30 4.50 0.00 2.64 2.71 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 68 P 0.00 4.56 0.00 1.94 2.03 0.00 3.62 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 2.01 2.11 0.00 69 I 9.02 4.65 1.96 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 1.14 1.07 0.93 0.00 0.00 70 G 7.53 4.49 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 71 A 8.07 5.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.27 5.01 0.00 1.75 1.87 0.00 1.43 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 73 V 8.45 4.57 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 0.91 0.00 0.00 0.86 0.00 0.00 74 T 8.55 4.73 4.19 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 1.15 0.00 0.00 75 L 8.38 4.78 0.00 1.48 1.51 0.47 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.99 4.76 0.00 1.62 1.77 0.00 3.32 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 77 D 8.91 4.33 0.00 2.88 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.93 3.97 0.00 2.02 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 0.00 2.42 2.42 0.00 79 M 8.26 4.19 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 80 A 7.97 4.38 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 81 E 8.03 3.94 0.00 2.15 1.99 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 2.45 2.62 0.00 82 E 8.48 4.18 0.00 2.00 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 0.00 2.36 2.53 0.00 83 F 7.58 4.42 0.00 3.46 3.25 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 0.00 84 L 8.31 4.25 0.00 1.99 1.81 1.10 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.14 4.31 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.46 0.00 86 T 7.72 4.55 4.09 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 1.14 0.00 0.00 87 A 7.70 3.97 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 88 L 7.92 3.51 0.00 1.71 1.69 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.14 0.00 2.10 2.12 0.00 3.66 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 2.00 2.19 0.00 90 L 8.08 4.42 0.00 1.75 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.83 4.87 0.79 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 0.00 0.00 92 E 8.32 4.42 0.00 1.92 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 2.18 2.28 0.00 93 L 6.95 3.74 0.00 1.71 1.87 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.59 4.49 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 T 8.75 3.19 4.26 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 1.12 0.00 0.00 96 S 8.69 3.80 0.00 4.23 4.26 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 97 Q 10.70 4.59 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 98 F 7.72 5.00 0.00 3.04 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 99 D 9.75 4.68 0.00 2.81 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 0.00 100 D 8.54 4.70 0.00 2.73 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 0.00 101 T 7.28 4.58 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 1.24 0.00 0.00 102 G 8.34 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 0.00 103 N 7.73 5.27 0.00 2.97 2.79 0.00 0.00 6.60 8.13 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 0.00 104 F 7.34 4.41 0.00 2.47 1.60 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 0.00 105 S 8.24 5.08 0.00 3.75 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 0.00 106 F 8.72 4.92 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.94 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 0.00 0.00 0.00 0.00 *128 L 8.51 4.03 0.00 1.75 1.60 0.94 1.15 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 0.00 129 D 8.56 4.89 0.00 2.72 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 0.00 130 V 8.03 4.23 0.93 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 0.88 0.00 0.00 0.94 0.00 0.00 131 T 8.59 4.67 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 1.07 0.00 0.00 132 V 7.75 4.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.76 0.00 0.00 133 N 8.65 4.65 0.00 2.81 2.90 0.00 0.00 6.59 6.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.21 5.26 0.00 1.75 1.53 1.34 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.92 4.28 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 0.24 0.00 0.00 0.73 0.00 0.00 136 R 8.19 4.43 0.00 1.79 1.96 0.00 3.00 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 137 P 0.00 3.99 0.00 2.28 2.14 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 138 G 7.79 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.15 4.23 0.00 3.17 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 0.00 140 R 8.27 3.99 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 141 V 7.51 3.54 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 0.97 0.00 0.00 0.95 0.00 0.00 142 A 7.67 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.62 4.30 0.00 1.63 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.83 1.47 7.81 144 R 7.57 4.32 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.60 0.00 145 D 8.45 4.45 0.00 2.67 2.74 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 0.00 0.00 0.00 146 K 7.93 4.01 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.79 3.75 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 0.00 148 S 7.14 4.49 0.00 3.87 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 0.00 149 R 8.79 4.56 0.00 1.86 1.72 0.00 3.12 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 150 S 8.51 4.65 0.00 3.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.28 3.87 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.12 1.04 0.00 0.00 152 P 0.00 4.37 0.00 2.21 2.01 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 153 T 8.76 3.94 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 1.23 0.00 0.00 154 K 8.11 3.95 0.00 1.79 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.51 7.81 155 H 7.95 4.54 0.00 3.08 3.46 0.00 5.94 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 0.00 156 R 7.57 4.27 0.00 2.08 1.89 0.00 3.42 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 157 L 8.16 4.51 0.00 1.67 1.72 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.22 4.72 0.00 3.19 2.73 0.00 0.00 6.60 7.91 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 0.00 159 P 0.00 4.33 0.00 2.16 2.18 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 160 A 7.93 3.87 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 0.00 161 D 8.20 4.43 0.00 2.71 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 0.00 162 A 7.59 4.16 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 0.00 0.00 0.00 0.00 0.00 163 V 7.56 3.16 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 0.68 0.00 0.00 0.24 0.00 0.00 164 A 7.87 3.89 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 0.00 165 F 7.61 4.14 0.00 3.13 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.85 3.52 1.84 0.00 0.00 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 1.65 0.92 0.88 0.00 0.00 167 E 8.19 4.57 0.00 1.87 1.99 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 2.27 2.19 0.00 168 S 8.07 4.53 0.00 3.86 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 0.00 169 T 7.92 4.75 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 170 Y 7.92 3.40 0.00 3.02 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 0.00 171 D 6.91 4.43 0.00 2.88 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 0.00 172 V 7.98 4.74 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 0.82 0.00 0.00 0.89 0.00 0.00 173 E 8.98 4.36 0.00 1.97 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 2.43 2.20 0.00 174 V 7.76 4.04 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 1.07 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.