NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3943 8.3049 120.3433 55.3446 33.3739 174.8466 2 K 4.0912 7.8879 122.8557 54.7706 35.5897 175.2762 3 T 3.4345 8.4324 121.4379 65.6000 70.1531 175.1268 4 Y 3.7904 6.6764 119.6347 57.7792 36.7295 173.5609 5 V 4.2670 7.3738 122.6137 60.1357 33.3668 174.5376 6 P 4.4040 0.0000 0.0000 62.4520 31.9363 176.1754 7 K 4.3859 8.2084 120.0285 54.8841 33.5361 176.5905 8 Q 4.1412 8.4971 119.2558 56.7296 29.5978 177.2256 9 V 4.4786 8.1477 117.4255 61.0034 32.1918 174.8557 10 E 4.6524 8.6088 126.4576 54.1275 31.7964 174.1242 11 P 4.2770 0.0000 0.0000 63.4226 31.7815 175.4157 12 R 4.5403 8.6897 124.2958 54.8824 30.9316 175.5958 13 W 4.9830 9.1053 126.5589 56.8368 30.5268 175.6788 14 V 4.6727 8.8146 120.4568 61.7010 35.5903 173.1576 15 L 5.1952 8.4744 124.8695 53.3762 45.2191 174.8015 16 I 4.7350 8.5509 125.7352 59.6781 41.2436 174.1724 17 D 4.3049 8.4559 122.7675 57.0661 43.6159 179.1273 18 A 3.6814 7.1533 121.3478 53.4714 16.0819 177.8242 19 E 4.1174 8.3266 123.0933 58.7534 30.4729 178.7238 20 G 3.9292 7.9727 106.6476 45.3555 0.0000 173.2082 21 K 4.4655 7.5761 122.0195 55.0885 34.8021 175.8313 22 T 4.3366 8.3074 121.0585 63.2020 69.3909 173.6727 23 L 3.9689 8.6987 130.1551 57.3378 42.2247 176.0104 24 G 4.4458 9.4164 121.5546 46.2502 0.0000 175.7391 25 R 3.5199 7.6991 117.9940 57.9127 30.2514 178.3268 26 L 4.2157 7.8790 119.5608 57.4522 42.4159 178.1271 27 A 4.0091 8.0448 120.2203 55.5759 18.2093 179.1657 28 T 3.7999 8.5670 114.9153 67.1176 68.6227 176.7235 29 K 3.9780 7.9634 119.2951 59.5423 32.0914 179.2702 30 I 3.8060 7.9017 119.1534 63.1956 36.8363 178.0316 31 A 4.1664 7.7522 122.1000 54.9641 18.9671 179.5967 32 T 3.7896 7.6107 112.5810 66.4840 68.8060 176.6115 33 L 4.1476 7.9945 121.2256 57.6583 41.4930 179.3010 34 L 4.0019 7.2887 117.9794 59.3551 42.2606 178.5919 35 R 4.6375 8.6227 121.5888 55.7060 32.8690 176.9851 36 G 4.2286 7.6278 107.4351 46.6959 0.0000 175.7667 37 K 3.7243 6.4585 119.0506 58.9684 32.3562 176.6310 38 H 4.4837 7.6796 112.9105 56.1233 29.3342 174.9993 39 R 4.6768 8.6135 118.9743 53.3609 30.9663 175.0387 40 P 4.2873 0.0000 0.0000 64.7933 31.3711 176.7162 41 D 4.3613 8.6535 118.4177 57.4400 41.4689 176.3441 42 W 4.3706 8.1762 126.8250 55.3354 31.6541 175.4029 43 T 3.7938 6.9763 121.6212 61.5886 69.7734 172.1092 44 P 3.6568 0.0000 0.0000 64.7089 31.0757 176.6950 45 N 4.9625 7.4336 115.7663 51.6770 37.6677 175.5661 46 V 4.1962 7.1242 114.0985 61.6129 35.4102 172.1128 47 A 3.6367 8.0653 126.5672 52.3856 14.8337 176.9658 48 M 4.9180 8.1402 123.8240 54.8947 31.7244 176.0797 49 G 4.7681 7.7211 105.5157 43.7264 0.0000 173.0937 50 D 5.1672 7.7370 119.0425 53.9545 42.0122 176.3824 51 F 4.0427 8.6706 120.1706 56.8193 40.2676 174.6563 52 V 4.4314 7.9705 124.6424 61.5267 33.6955 174.8986 53 V 4.8565 8.4420 127.9500 61.0331 32.6137 174.0320 54 V 4.4898 8.5352 127.1050 62.3389 32.7939 174.8645 55 V 4.7598 7.9675 125.0931 60.0190 34.7950 174.6618 56 N 4.3365 9.2202 116.6245 53.3671 37.3285 175.4058 57 A 4.4727 8.4995 133.4661 49.7301 18.0121 179.3554 58 D 3.7147 9.6392 117.6001 57.1711 40.0791 171.9134 59 K 3.7323 7.2917 120.9525 56.5545 30.3665 178.5023 60 I 3.7496 6.9478 123.6203 62.8097 33.5789 174.6780 61 R 3.9646 7.8567 127.3254 56.5607 30.7941 177.0882 62 V 4.4304 7.9697 117.8682 61.0137 33.2620 173.7984 63 T 3.9335 8.7970 116.4870 63.1768 69.5386 174.6732 64 G 3.9267 7.7085 107.5718 46.6190 0.0000 175.4222 65 K 4.5561 8.4105 126.7641 56.0044 32.7034 177.4500 66 K 3.9566 7.6726 121.0056 59.5465 32.1792 177.4582 67 L 4.2575 7.8112 118.6403 55.3937 41.8743 175.3342 68 E 3.6708 8.8762 126.2987 54.6851 27.0068 172.9060 69 Q 5.3570 7.9842 130.1111 56.3095 27.5653 173.9968 70 K 4.2757 7.8986 121.8466 56.0775 33.2719 175.9020 71 I 5.0977 8.3685 128.3863 59.7521 39.6471 174.7888 72 Y 4.3617 9.8897 127.3569 57.6110 39.0590 174.7973 73 T 5.2124 8.5614 114.0755 59.9292 71.5779 173.4793 74 R 4.7900 8.9892 123.4728 54.4678 33.7787 173.7255 75 Y 5.4209 8.7108 124.2298 56.0413 41.1684 175.4121 76 S 4.1136 9.1085 123.1870 56.9201 65.6764 174.4818 77 G 3.3189 8.9973 108.7216 47.6542 0.0000 172.9924 78 Y 4.0512 7.4479 117.3828 54.8872 39.5505 174.6996 79 P 4.4515 0.0000 0.0000 64.0296 31.9529 176.2632 80 G 4.0000 8.8935 108.3482 46.9252 0.0000 173.6902 81 G 4.5386 7.7938 105.1942 44.6709 0.0000 174.1290 82 L 5.0835 8.0280 123.1344 53.1702 43.4405 175.2579 83 K 4.5572 9.2913 127.4375 55.1425 33.9338 175.9713 84 K 5.0665 8.6759 124.0159 54.7431 34.3839 175.7326 85 I 4.7219 9.1601 125.6028 58.7844 40.8273 173.7701 86 P 5.4903 0.0000 0.0000 61.4682 32.6151 176.8105 87 L 3.6175 8.7484 120.9873 59.1164 41.7649 178.4777 88 E 3.7427 8.3308 116.5004 59.9757 29.3253 179.1691 89 K 3.8194 8.0214 117.0703 60.3151 32.0899 179.0295 90 M 3.9690 7.3076 117.4806 58.1849 31.8523 178.6670 91 L 4.0606 7.7078 117.7719 57.8029 42.0769 178.6967 92 A 4.2645 8.0002 119.5575 54.1575 18.2956 177.8129 93 T 4.1477 7.4429 111.3173 62.4639 70.3719 172.8912 94 H 4.9150 9.0905 126.2435 57.5183 24.7062 174.4068 95 P 4.4917 0.0000 0.0000 65.5757 31.9131 178.2107 96 E 4.0266 8.2339 116.9802 59.1363 29.2452 179.0918 97 R 4.2179 7.6721 119.9439 58.6078 29.6884 178.1689 98 V 3.6766 7.4952 117.8228 66.3399 31.3981 177.8353 99 L 4.0865 7.9035 119.0279 58.0629 41.6900 178.0656 100 E 4.0991 8.4465 118.8189 60.3587 29.3731 178.6194 101 H 4.1910 9.3836 118.6740 58.6289 29.7803 176.7451 102 A 4.0435 7.8968 122.4078 55.6725 18.5051 179.8409 103 V 3.7284 7.9321 110.4685 64.3192 31.6663 178.3299 104 K 3.9157 7.8332 118.4613 59.6933 31.6009 178.9945 105 G 3.7022 7.5717 100.1987 45.4711 0.0000 173.3614 106 M 4.8500 8.0656 117.5726 54.4016 33.8752 174.9736 107 L 4.8379 7.6200 118.0840 51.7987 44.8761 174.8158 108 P 4.3565 0.0000 0.0000 63.0335 31.7275 177.5780 109 K 4.0928 8.5365 119.4676 58.2591 33.5735 178.0068 110 G 3.8995 7.7105 107.1609 43.6738 0.0000 171.9078 111 P 4.3149 0.0000 0.0000 65.5555 31.5372 178.0581 112 L 4.1465 7.9193 119.8212 58.0950 42.3714 178.6612 113 G 4.5234 8.4770 106.7887 47.1502 0.0000 174.8197 114 R 4.3561 7.5911 115.3548 57.4416 30.2601 178.4011 115 R 4.0376 8.3207 120.8629 59.2778 29.9971 178.0023 116 L 3.8167 7.9237 118.4158 57.9331 41.4408 178.8354 117 F 4.0401 7.5426 117.9618 61.6213 39.2159 177.0279 118 K 3.9354 7.8039 116.8602 59.0470 32.4665 178.5822 119 R 3.4782 7.8041 119.5188 54.8159 29.1631 177.1374 120 L 4.4309 7.0594 120.5207 54.5236 44.3048 174.2064 121 K 4.4055 8.7122 127.1561 54.6640 34.1375 175.9633 122 V 4.8198 7.8683 124.0391 61.3695 34.4076 173.7359 123 Y 4.9972 8.6860 122.7834 56.5609 42.3947 175.3630 124 A 4.9600 8.7653 119.5841 51.7381 19.8834 177.9804 125 G 3.9153 7.8249 104.8569 47.3427 0.0000 176.7896 126 P 4.5920 0.0000 0.0000 61.3049 31.3000 177.4446 127 D 4.2734 9.0078 109.8123 55.0831 36.5398 174.1768 128 H 3.2716 8.0264 114.7172 54.6442 29.1897 175.1631 129 P 4.3265 0.0000 0.0000 62.8262 29.3143 177.4228 130 H 4.7003 7.3802 113.5716 55.2646 31.6992 175.2907 131 Q 4.4872 8.3689 127.9951 55.5121 28.1527 175.9192 132 A 4.1987 7.0087 113.9664 51.6369 20.0578 177.2788 133 Q 3.7086 7.9532 121.1759 57.8345 28.8029 172.3806 134 R 5.5269 8.1505 119.2044 55.8403 30.0319 172.4922 135 P 4.3784 0.0000 0.0000 62.4865 31.6750 175.2929 136 E 4.1183 8.5625 121.8226 56.9938 29.9740 176.0096 137 K 4.5262 9.0834 126.6883 54.8299 34.0811 177.0029 138 L 4.5761 8.0276 123.1247 53.5394 41.9743 177.3665 *139 E 4.1515 8.0279 117.2413 56.0017 30.3597 177.0564 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 1 M 8.30 4.39 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 2 K 7.89 4.09 0.00 1.49 1.30 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.52 7.81 3 T 8.43 3.43 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 4 Y 6.68 3.79 0.00 3.06 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.37 4.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.40 0.00 2.22 2.32 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 7 K 8.21 4.39 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.52 7.81 8 Q 8.50 4.14 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 9 V 8.15 4.48 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 0.73 0.00 0.00 0.99 0.00 0.00 10 E 8.61 4.65 0.00 1.89 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 2.20 2.36 0.00 11 P 0.00 4.28 0.00 2.29 2.34 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 2.12 2.05 0.00 12 R 8.69 4.54 0.00 2.01 2.10 0.00 3.38 0.00 0.00 3.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 13 W 9.11 4.98 0.00 3.16 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.81 4.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 15 L 8.47 5.20 0.00 1.82 1.46 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.55 4.73 1.89 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 1.13 1.22 0.94 0.00 0.00 17 D 8.46 4.30 0.00 2.72 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 18 A 7.15 3.68 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.12 0.00 2.20 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 2.31 2.66 0.00 20 G 7.97 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 0.00 0.00 0.00 21 K 7.58 4.47 0.00 1.88 1.84 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 22 T 8.31 4.34 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 1.22 0.00 0.00 23 L 8.70 3.97 0.00 1.63 1.74 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.42 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.70 3.52 0.00 1.93 2.02 0.00 3.20 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 26 L 7.88 4.22 0.00 1.80 1.78 0.93 0.83 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 27 A 8.04 4.01 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 28 T 8.57 3.80 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 29 K 7.96 3.98 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 30 I 7.90 3.81 1.98 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 1.46 0.89 0.89 0.00 0.00 31 A 7.75 4.17 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.61 3.79 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 1.05 0.00 0.00 33 L 7.99 4.15 0.00 1.89 1.70 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.29 4.00 0.00 1.76 1.68 0.82 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.62 4.64 0.00 1.48 1.63 0.00 3.00 0.00 0.00 2.94 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 36 G 7.63 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 0.00 0.00 0.00 0.00 37 K 6.46 3.72 0.00 1.43 1.47 0.00 0.61 0.00 0.00 0.89 0.00 0.00 2.62 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.61 1.00 7.81 38 H 7.68 4.48 0.00 3.17 3.39 0.00 5.67 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 39 R 8.61 4.68 0.00 2.03 2.21 0.00 2.95 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.66 0.00 40 P 0.00 4.29 0.00 2.21 2.26 0.00 3.81 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 2.03 2.00 0.00 41 D 8.65 4.36 0.00 2.71 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 42 W 8.18 4.37 0.00 3.40 3.01 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 43 T 6.98 3.79 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 1.02 0.00 0.00 44 P 0.00 3.66 0.00 2.10 2.22 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 45 N 7.43 4.96 0.00 2.76 2.83 0.00 0.00 5.80 7.68 0.00 0.00 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 V 7.12 4.20 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 0.58 0.00 0.00 0.89 0.00 0.00 47 A 8.07 3.64 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 48 M 8.14 4.92 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 49 G 7.72 4.77 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 50 D 7.74 5.17 0.00 2.68 2.86 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 0.00 0.00 0.00 51 F 8.67 4.04 0.00 1.70 1.75 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 52 V 7.97 4.43 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 0.91 0.00 0.00 0.90 0.00 0.00 53 V 8.44 4.86 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 1.20 0.00 0.00 1.34 0.00 0.00 54 V 8.54 4.49 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 0.94 0.00 0.00 0.94 0.00 0.00 55 V 7.97 4.76 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 1.00 0.00 0.00 56 N 9.22 4.34 0.00 2.85 2.97 0.00 0.00 7.32 7.96 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 57 A 8.50 4.47 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.64 3.71 0.00 2.88 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 59 K 7.29 3.73 0.00 2.08 1.95 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.46 7.81 60 I 6.95 3.75 1.89 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 1.69 0.96 0.00 0.00 61 R 7.86 3.96 0.00 2.00 1.91 0.00 3.33 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 1.78 1.76 0.00 62 V 7.97 4.43 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 0.67 0.00 0.00 0.96 0.00 0.00 63 T 8.80 3.93 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 1.22 0.00 0.00 64 G 7.71 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 0.00 0.00 0.00 65 K 8.41 4.56 0.00 1.76 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 66 K 7.67 3.96 0.00 1.89 1.93 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.61 7.81 67 L 7.81 4.26 0.00 1.61 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.88 3.67 0.00 2.49 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 0.00 2.19 2.38 0.00 69 Q 7.98 5.36 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 70 K 7.90 4.28 0.00 1.95 2.02 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.37 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.79 1.78 7.81 71 I 8.37 5.10 1.91 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 1.39 0.96 0.98 0.00 0.00 72 Y 9.89 4.36 0.00 2.99 2.86 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 0.00 0.00 0.00 73 T 8.56 5.21 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 74 R 8.99 4.79 0.00 1.81 1.87 0.00 3.10 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 75 Y 8.71 5.42 0.00 2.87 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 76 S 9.11 4.11 0.00 3.86 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 77 G 9.00 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 0.00 0.00 0.00 78 Y 7.45 4.05 0.00 3.08 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 79 P 0.00 4.45 0.00 2.24 2.11 0.00 4.04 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 2.08 2.02 0.00 80 G 8.89 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 G 7.79 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.03 5.08 0.00 1.76 1.68 1.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.29 4.56 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.44 7.81 84 K 8.68 5.07 0.00 1.64 1.75 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.47 7.81 85 I 9.16 4.72 1.92 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 1.30 1.09 0.88 0.00 0.00 86 P 0.00 5.49 0.00 2.21 2.18 0.00 3.88 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 2.05 1.91 0.00 87 L 8.75 3.62 0.00 1.91 1.69 0.99 0.74 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 88 E 8.33 3.74 0.00 2.01 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 2.40 2.53 0.00 89 K 8.02 3.82 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.50 7.81 90 M 7.31 3.97 0.00 1.60 1.83 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.39 0.00 91 L 7.71 4.06 0.00 1.73 1.69 0.89 0.83 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 92 A 8.00 4.26 1.34 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 0.00 0.00 93 T 7.44 4.15 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 1.27 0.00 0.00 94 H 9.09 4.91 0.00 3.40 3.44 0.00 5.94 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.49 0.00 2.27 2.45 0.00 3.72 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 2.09 2.03 0.00 96 E 8.23 4.03 0.00 2.13 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 0.00 2.37 2.30 0.00 97 R 7.67 4.22 0.00 1.99 2.20 0.00 3.20 0.00 0.00 3.24 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 98 V 7.50 3.68 2.21 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 0.98 0.00 0.00 0.81 0.00 0.00 99 L 7.90 4.09 0.00 1.76 1.68 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.45 4.10 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 101 H 9.38 4.19 0.00 3.43 3.58 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.90 4.04 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 0.00 103 V 7.93 3.73 2.17 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 0.81 0.00 0.00 1.15 0.00 0.00 104 K 7.83 3.92 0.00 1.53 1.77 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.48 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.10 0.97 7.81 105 G 7.57 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 0.00 0.00 0.00 106 M 8.07 4.85 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 107 L 7.62 4.84 0.00 1.69 1.55 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.36 0.00 2.20 2.02 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 109 K 8.54 4.09 0.00 1.84 1.90 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 110 G 7.71 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.31 0.00 2.23 2.19 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 112 L 7.92 4.15 0.00 1.77 1.70 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.48 4.52 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 0.00 0.00 0.00 114 R 7.59 4.36 0.00 2.01 2.04 0.00 3.07 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 115 R 8.32 4.04 0.00 1.95 2.04 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 116 L 7.92 3.82 0.00 1.87 1.66 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 117 F 7.54 4.04 0.00 3.03 3.30 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 0.00 118 K 7.80 3.94 0.00 1.89 1.81 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.71 7.81 119 R 7.80 3.48 0.00 1.19 0.66 0.00 2.21 0.00 0.00 2.76 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.00 120 L 7.06 4.43 0.00 1.34 1.36 0.64 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.71 4.41 0.00 2.03 1.77 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.68 1.45 7.81 122 V 7.87 4.82 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 0.86 0.00 0.00 0.87 0.00 0.00 123 Y 8.69 5.00 0.00 3.00 2.86 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 0.00 0.00 0.00 124 A 8.77 4.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.82 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 0.00 0.00 0.00 126 P 0.00 4.59 0.00 2.21 1.30 0.00 3.84 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 127 D 9.01 4.27 0.00 2.76 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 0.00 128 H 8.03 3.27 0.00 3.19 3.26 0.00 5.53 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 0.00 129 P 0.00 4.33 0.00 2.09 2.00 0.00 2.72 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 1.76 1.87 0.00 130 H 7.38 4.70 0.00 3.30 3.09 0.00 5.69 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.37 4.49 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 132 A 7.01 4.20 0.04 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 0.00 0.00 133 Q 7.95 3.71 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.72 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 134 R 8.15 5.53 0.00 2.03 2.06 0.00 3.21 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 135 P 0.00 4.38 0.00 2.01 2.15 0.00 4.00 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 136 E 8.56 4.12 0.00 1.99 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 2.32 2.54 0.00 137 K 9.08 4.53 0.00 1.64 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 138 L 8.03 4.58 0.00 1.58 1.57 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 8.03 4.15 0.00 1.73 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.