NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5369 8.2629 120.6061 55.4994 33.6515 173.6643 2 K 4.8499 7.9689 126.7818 53.1549 33.8458 171.8789 3 I 4.9928 9.2573 126.6927 58.4921 40.8355 173.9632 4 L 5.0314 9.1092 129.1051 53.8741 44.0278 175.0881 5 V 4.8044 8.9037 126.8247 61.4470 33.7018 174.2336 6 I 5.0993 9.0543 130.0691 59.9963 39.3839 174.5668 7 Q 4.7889 9.3476 127.6307 54.3982 30.8286 176.8196 8 G 4.1262 8.3631 113.8653 43.6947 0.0000 171.4854 9 P 4.4544 0.0000 0.0000 63.8786 31.7679 177.8764 10 N 4.2630 9.0439 116.4315 54.6678 38.2511 176.6483 11 L 3.6441 7.8631 118.3695 57.6931 41.7980 179.0208 12 N 4.4410 8.0211 114.2100 55.2435 37.7043 175.2955 13 M 4.3838 8.6705 119.5459 55.1324 32.3309 175.6736 14 L 4.2591 7.4167 120.3037 55.7759 42.1191 177.5515 15 G 4.0356 9.1463 114.0708 46.5731 0.0000 174.8682 *16 H 4.5115 8.1862 117.0707 56.9673 28.5228 181.3051 17 R 3.7780 7.2411 117.9700 58.8363 29.5223 179.7278 *23 G 3.7485 7.5936 108.8702 45.9383 0.0000 173.3368 24 M 4.4430 8.2456 116.3809 54.1021 29.9425 173.6494 25 V 4.5837 7.1896 119.9105 60.9050 35.4084 175.4598 26 T 4.8591 9.4858 119.6310 59.9536 71.4669 175.8639 27 L 3.7276 8.1586 122.8870 58.1555 41.9928 178.5571 28 D 4.1758 7.9626 118.3993 57.7666 40.8321 178.9289 29 Q 4.0562 7.8911 117.9921 58.8679 28.5975 179.1206 30 I 3.5955 7.3168 120.6648 64.5722 37.0638 178.1405 31 H 3.8413 7.6705 117.2219 58.6727 28.2993 177.7919 32 E 4.0128 8.3070 119.4896 59.0354 29.2900 179.2565 33 I 3.6965 7.6671 121.0909 64.5707 37.2250 177.8245 34 M 4.3955 8.0187 120.6974 58.0784 31.5781 178.4664 35 Q 4.0890 8.3072 117.8320 59.8346 29.0822 179.7166 36 T 3.9962 8.3586 116.5219 67.0253 68.5009 176.2953 37 F 4.1481 8.6080 122.4935 61.0482 39.4568 177.3807 38 V 3.6873 8.1925 120.3068 66.5827 31.3574 178.6839 39 K 3.9842 8.9128 122.9264 59.5973 31.6314 180.0515 40 Q 4.4890 7.9972 118.5997 58.6663 29.2721 177.7367 41 G 3.4970 8.0631 104.4586 45.0345 0.0000 172.6092 42 N 4.1820 7.7546 117.4300 54.1841 38.1227 173.3920 43 L 4.2695 7.2512 114.5665 53.3357 42.3366 177.4898 44 D 4.4893 8.4441 123.1694 54.1834 39.1921 173.8776 45 V 5.1301 7.5652 122.1444 60.1481 34.5094 173.6898 46 E 4.3027 8.8069 128.6178 55.8548 30.5091 175.6825 47 L 5.0616 8.3905 124.4687 52.8940 44.3306 175.5229 48 E 4.3715 8.5869 122.3592 54.2731 33.0471 174.2140 49 F 5.4482 8.4392 124.3459 55.7532 41.5788 174.7601 50 F 5.0169 9.3688 125.0287 56.5648 42.5019 172.9969 51 Q 5.0351 8.2242 126.3902 54.7962 31.7029 174.0536 52 T 4.4990 8.3180 117.9209 61.2981 70.7027 172.8935 53 N 4.6992 9.0497 122.9027 53.2221 39.1318 175.1957 54 F 4.8105 8.3633 119.4368 55.4464 40.8916 175.4876 55 E 3.7555 8.9956 124.9677 59.6116 29.3044 179.0294 56 G 3.7856 8.2612 104.7745 48.0946 0.0000 175.1879 57 E 4.2521 8.2984 120.0921 59.0385 29.4899 179.3542 58 I 3.9415 7.8755 119.8756 64.4374 37.2578 178.3639 59 I 3.6872 7.7725 120.6038 64.5646 36.8903 178.0249 60 D 4.3481 8.5610 119.9158 57.5345 40.4658 179.0947 61 K 3.7223 7.8192 118.5992 59.2059 32.4110 178.7442 62 I 3.7877 7.9620 120.5153 64.4401 36.7396 178.3840 63 Q 4.0086 8.1518 118.8500 58.9950 28.2547 178.7711 64 E 3.9045 8.2031 119.4184 58.8790 29.6623 178.9722 65 S 3.9847 7.7237 114.7790 61.2465 62.7292 176.4836 66 V 3.5833 7.0631 120.9646 64.5497 31.5346 175.7360 67 G 4.0394 8.4237 108.2019 45.9495 0.0000 173.2607 68 S 3.4417 8.9559 111.8883 57.8825 64.3672 177.6618 69 D 4.3281 8.1376 134.1023 56.0875 40.9940 175.8132 70 Y 4.7969 8.2884 118.7979 56.9343 38.7641 175.1306 71 E 4.4950 8.9515 124.4675 57.2582 30.7474 176.1813 72 G 4.2808 7.7556 104.8622 45.3765 0.0000 172.1530 73 I 5.2380 8.8403 121.4745 59.3871 40.8862 174.6633 74 I 4.9142 9.1764 127.7175 59.8316 39.7379 174.6960 75 I 4.9955 8.7785 125.7996 59.9535 41.9851 173.1647 76 N 5.2033 9.1716 128.9373 50.1435 38.7090 173.0810 77 P 4.4988 0.0000 0.0000 62.5820 33.0262 177.9243 78 G 3.6720 8.4770 107.8771 45.8922 0.0000 176.0272 79 A 4.3263 8.4738 121.9329 55.3650 18.7086 179.6078 80 F 4.7685 7.8425 114.0626 60.1423 38.7782 177.5729 81 S 4.6152 8.3852 117.4366 61.4214 62.4471 176.1677 82 H 4.6239 7.8425 116.8033 57.5450 28.6966 176.3181 83 T 4.7118 7.8209 107.5878 61.1651 70.4488 174.6143 84 S 4.4069 8.6622 117.6310 56.7387 61.3296 173.8791 85 I 3.3736 7.9572 128.9910 63.7663 36.9410 177.3779 86 A 3.9010 7.8377 120.8864 55.4657 18.2745 179.5502 87 I 3.6230 7.9226 117.9859 64.3723 37.1032 178.7089 88 A 3.9847 7.7759 121.4058 55.3643 18.0925 179.1069 89 D 4.3299 8.4066 116.1801 57.6710 41.1753 179.1609 90 A 4.1006 8.1483 120.9675 55.4060 18.4313 179.5694 91 I 3.6760 8.1322 118.7145 65.0636 36.9083 178.2619 92 M 4.1868 7.9247 118.1043 57.1485 31.7448 177.5555 93 L 4.4435 7.8251 117.5796 54.6935 41.9585 178.0559 94 A 3.7520 7.6775 122.1244 52.8395 19.1753 177.6935 95 G 3.9873 7.3950 105.3870 45.2771 0.0000 172.9207 96 K 4.3733 7.3265 114.5323 55.4387 35.0673 174.1714 97 P 4.3183 0.0000 0.0000 63.3695 32.4039 175.1840 98 V 4.9070 8.5321 123.9791 61.0564 34.6620 173.8956 99 I 4.6827 8.6961 128.4848 59.4653 40.0040 174.1599 100 E 4.7679 8.7278 128.5111 55.4123 30.7073 175.0433 101 V 4.7505 8.6175 126.6698 61.3386 34.6144 173.8408 102 H 5.0056 8.7918 123.5638 54.1026 32.0535 174.6107 103 L 4.1087 8.8536 123.0240 57.9634 42.5731 177.8164 104 T 4.5026 7.7846 106.6591 60.4022 70.7088 173.9988 105 N 4.6068 8.1041 120.3218 51.7842 37.4340 174.9701 106 I 3.9507 7.8902 119.1201 62.6223 38.2416 178.5682 107 Q 3.8830 7.5357 119.9034 58.4976 28.5488 177.2705 108 A 4.6286 8.2628 118.0655 51.7121 20.0683 177.2773 109 R 4.6045 7.2246 116.2553 56.5366 31.1820 176.0117 110 E 3.9772 8.1252 123.7862 56.5836 30.4648 176.9442 111 E 3.7663 8.6802 121.6242 59.5709 29.4768 179.3881 112 F 4.3297 7.8087 111.5798 59.3112 37.7110 175.9216 113 R 3.7789 6.9474 118.4594 56.3418 30.0553 177.6599 114 K 4.1722 7.6756 118.0199 58.6843 32.4121 176.8809 115 N 4.3058 7.7802 118.0551 53.6659 39.5738 174.8029 116 S 4.7300 8.1817 117.3358 56.1260 65.4011 173.9880 117 Y 4.4284 8.5385 127.9790 61.6184 37.9412 178.5206 118 T 4.0852 8.3100 110.3247 65.0981 67.1248 176.2780 119 G 3.6132 8.4986 108.4680 47.5446 0.0000 175.6385 120 A 4.2254 7.8367 121.3806 54.3913 18.3829 179.2965 121 A 4.1239 7.2127 116.9001 54.4033 17.7896 178.2462 122 C 4.2283 7.6541 114.8134 59.7262 28.8692 175.3815 123 G 3.9097 8.3387 112.2194 48.7674 0.0000 173.8783 124 G 4.1385 7.1568 103.7204 45.4878 0.0000 172.8989 125 V 5.0400 8.3916 120.0361 60.9647 34.6632 174.4751 126 I 4.7734 8.7410 128.7702 59.8336 39.5288 174.5282 127 M 5.0350 8.8539 122.5670 54.8182 34.1000 174.6535 128 G 3.6839 8.5674 108.3636 46.6071 0.0000 174.1168 129 F 4.5013 8.2722 115.3333 55.6994 40.6585 177.9522 130 G 3.8462 8.3106 110.9194 45.8084 0.0000 173.2578 131 P 4.5407 0.0000 0.0000 65.8708 32.0189 178.5789 132 L 3.9032 8.1070 119.5329 58.1758 42.1700 178.9059 133 G 3.6869 8.2893 105.7013 48.1375 0.0000 175.0884 134 Y 4.0238 8.4339 118.8867 61.0646 37.8336 178.3577 135 N 3.7855 8.1139 116.7067 56.4308 38.5737 176.8152 136 M 3.7719 8.1051 120.1383 58.5141 32.0552 178.8415 137 A 3.8570 7.8777 120.2785 55.1607 18.5742 179.2826 138 L 3.9213 7.8056 117.6189 58.5322 41.4938 179.4820 139 M 4.1401 8.3541 117.8182 58.7926 32.1246 178.1857 140 A 4.0102 7.8638 120.6067 55.1277 18.6488 179.0065 141 M 3.9244 8.5172 117.1502 58.9470 32.2970 178.2125 142 V 3.6034 7.9459 118.3856 66.4443 31.6056 177.6755 143 N 4.3507 7.8036 115.3971 56.4965 38.4336 177.5886 144 I 3.7449 7.8847 121.0802 64.2985 37.1935 178.5021 145 L 4.0114 8.1895 119.7536 57.6747 41.4908 179.2759 146 A 3.9935 8.1187 120.7196 55.1871 18.3675 179.4090 147 E 3.8414 8.0742 117.5097 59.6753 29.8282 178.4039 148 M 4.0849 8.4824 119.1684 58.8542 30.5431 178.9572 149 K 3.9728 8.1446 117.8584 59.5431 32.2770 179.2578 150 A 4.2772 7.9953 120.9285 55.0099 18.2155 179.5494 151 F 4.3301 8.1801 119.0466 61.5654 39.3308 177.4179 152 Q 3.8296 8.2629 116.6556 57.7276 28.2111 177.6057 153 E 4.3349 7.3538 117.1333 57.3930 30.3582 177.8589 154 A 4.1272 7.5121 120.2636 55.6001 18.1128 179.3344 155 Q 3.9989 7.9702 117.0550 58.3434 28.6976 178.4105 156 K 3.8256 7.3316 116.4102 58.8818 32.7025 177.3907 157 N 4.6808 7.8716 117.0413 54.0481 39.4850 174.1668 158 N 4.5376 9.3468 123.1281 53.5646 39.3702 173.5305 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 8.26 4.54 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 2 K 7.97 4.85 0.00 1.48 1.67 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.36 7.81 3 I 9.26 4.99 1.89 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 1.12 1.17 1.00 0.00 0.00 4 L 9.11 5.03 0.00 1.83 1.53 1.01 0.43 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 5 V 8.90 4.80 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 1.14 0.00 0.00 1.03 0.00 0.00 6 I 9.05 5.10 1.99 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 1.42 0.70 1.13 0.00 0.00 7 Q 9.35 4.79 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 8 G 8.36 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.45 0.00 1.88 1.78 0.00 3.63 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 10 N 9.04 4.26 0.00 2.89 2.94 0.00 0.00 7.14 6.70 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 11 L 7.86 3.64 0.00 1.86 1.73 1.14 0.86 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 12 N 8.02 4.44 0.00 2.79 2.91 0.00 0.00 6.03 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 13 M 8.67 4.38 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 14 L 7.42 4.26 0.00 1.70 1.72 0.96 0.94 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 15 G 9.15 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 0.00 0.00 0.00 *16 H 8.19 4.51 0.00 2.94 2.97 0.00 7.22 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.24 3.78 0.00 1.86 1.80 0.00 3.27 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 *23 G 7.59 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 0.00 0.00 0.00 24 M 8.25 4.44 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.09 0.00 25 V 7.19 4.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 26 T 9.49 4.86 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 1.17 0.00 0.00 27 L 8.16 3.73 0.00 1.79 1.57 0.65 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.96 4.18 0.00 2.63 2.63 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 29 Q 7.89 4.06 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 I 7.32 3.60 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 0.39 0.00 0.00 31 H 7.67 3.84 0.00 2.66 1.39 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.31 4.01 0.00 2.17 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 0.00 2.43 2.36 0.00 33 I 7.67 3.70 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.98 0.00 0.00 34 M 8.02 4.40 0.00 2.24 2.47 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.52 0.00 35 Q 8.31 4.09 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 36 T 8.36 4.00 4.53 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 1.26 0.00 0.00 37 F 8.61 4.15 0.00 3.21 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 38 V 8.19 3.69 2.24 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 0.99 0.00 0.00 1.18 0.00 0.00 39 K 8.91 3.98 0.00 1.72 1.74 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 Q 8.00 4.49 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 41 G 8.06 3.50 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 0.00 0.00 0.00 42 N 7.75 4.18 0.00 2.81 2.83 0.00 0.00 7.14 7.11 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 43 L 7.25 4.27 0.00 1.75 1.59 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.44 4.49 0.00 2.62 2.61 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 45 V 7.57 5.13 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 0.96 0.00 0.00 46 E 8.81 4.30 0.00 1.89 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 2.29 2.34 0.00 47 L 8.39 5.06 0.00 1.18 1.03 1.08 0.88 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 48 E 8.59 4.37 0.00 2.00 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 2.24 2.28 0.00 49 F 8.44 5.45 0.00 2.91 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 50 F 9.37 5.02 0.00 3.06 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 Q 8.22 5.04 0.00 2.03 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 52 T 8.32 4.50 3.78 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 1.39 0.00 0.00 53 N 9.05 4.70 0.00 2.68 2.67 0.00 0.00 6.85 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 54 F 8.36 4.81 0.00 3.16 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 55 E 9.00 3.76 0.00 1.16 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 2.15 1.80 0.00 56 G 8.26 3.79 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 0.00 57 E 8.30 4.25 0.00 2.25 2.39 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 2.49 2.40 0.00 58 I 7.88 3.94 2.13 0.00 0.00 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 1.77 1.11 1.04 0.00 0.00 59 I 7.77 3.69 2.00 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 1.51 0.91 0.90 0.00 0.00 60 D 8.56 4.35 0.00 2.88 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 61 K 7.82 3.72 0.00 1.65 1.80 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.87 1.11 7.81 62 I 7.96 3.79 1.85 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 1.51 0.79 0.89 0.00 0.00 63 Q 8.15 4.01 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 64 E 8.20 3.90 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 65 S 7.72 3.98 0.00 3.90 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 66 V 7.06 3.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.98 0.00 0.00 67 G 8.42 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 0.00 0.00 0.00 68 S 8.96 3.44 0.00 3.95 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 69 D 8.14 4.33 0.00 2.61 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 70 Y 8.29 4.80 0.00 2.94 2.99 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 71 E 8.95 4.49 0.00 1.85 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 2.29 2.26 0.00 72 G 7.76 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 73 I 8.84 5.24 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.99 0.00 0.00 74 I 9.18 4.91 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.79 1.06 0.00 0.00 75 I 8.78 5.00 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.84 0.95 0.00 0.00 76 N 9.17 5.20 0.00 2.92 2.98 0.00 0.00 7.08 8.54 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 77 P 0.00 4.50 0.00 2.40 2.23 0.00 3.81 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 2.37 2.16 0.00 78 G 8.48 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.47 4.33 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 80 F 7.84 4.77 0.00 3.28 2.99 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 81 S 8.39 4.62 0.00 3.80 3.78 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 82 H 7.84 4.62 0.00 3.22 3.56 0.00 5.60 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 83 T 7.82 4.71 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 1.33 0.00 0.00 84 S 8.66 4.41 0.00 3.78 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 85 I 7.96 3.37 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.19 0.73 0.00 0.00 86 A 7.84 3.90 1.25 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 0.00 0.00 87 I 7.92 3.62 1.91 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 1.48 0.55 0.98 0.00 0.00 88 A 7.78 3.98 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 89 D 8.41 4.33 0.00 2.79 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 90 A 8.15 4.10 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 91 I 8.13 3.68 2.06 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 1.55 0.95 0.93 0.00 0.00 92 M 7.92 4.19 0.00 2.01 2.34 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 93 L 7.83 4.44 0.00 1.69 1.68 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.68 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.39 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 96 K 7.33 4.37 0.00 1.78 1.80 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 1.42 7.81 97 P 0.00 4.32 0.00 2.12 2.06 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 98 V 8.53 4.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.01 0.00 0.00 99 I 8.70 4.68 1.88 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 1.11 0.57 0.88 0.00 0.00 100 E 8.73 4.77 0.00 2.08 1.80 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 2.13 2.28 0.00 101 V 8.62 4.75 1.65 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 -0.14 0.00 0.00 0.68 0.00 0.00 102 H 8.79 5.01 0.00 3.12 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.85 4.11 0.00 1.66 1.76 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 104 T 7.78 4.50 4.20 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 1.20 0.00 0.00 105 N 8.10 4.61 0.00 2.62 2.67 0.00 0.00 6.64 7.82 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 0.00 106 I 7.89 3.95 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.73 0.00 0.00 107 Q 7.54 3.88 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 108 A 8.26 4.63 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 0.00 109 R 7.22 4.60 0.00 1.62 1.54 0.00 3.16 0.00 0.00 3.15 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.51 0.00 110 E 8.13 3.98 0.00 1.16 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 2.25 2.17 0.00 111 E 8.68 3.77 0.00 1.98 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 2.38 2.38 0.00 112 F 7.81 4.33 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 R 6.95 3.78 0.00 1.66 1.78 0.00 3.02 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 0.00 114 K 7.68 4.17 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.43 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.22 7.81 115 N 7.78 4.31 0.00 2.56 2.61 0.00 0.00 6.65 7.63 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 0.00 116 S 8.18 4.73 0.00 3.83 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 0.00 117 Y 8.54 4.43 0.00 3.08 2.88 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 0.00 118 T 8.31 4.09 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 1.31 0.00 0.00 119 G 8.50 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 0.00 0.00 0.00 120 A 7.84 4.23 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 0.00 121 A 7.21 4.12 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 0.00 122 C 7.65 4.23 0.00 3.23 2.99 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 0.00 123 G 8.34 3.91 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 0.00 0.00 0.00 124 G 7.16 4.14 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 0.00 125 V 8.39 5.04 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 0.92 0.00 0.00 0.96 0.00 0.00 126 I 8.74 4.77 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 0.90 0.00 0.00 127 M 8.85 5.04 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 128 G 8.57 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.27 4.50 0.00 3.03 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 0.00 130 G 8.31 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 0.00 131 P 0.00 4.54 0.00 2.25 2.17 0.00 3.70 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 2.15 2.13 0.00 132 L 8.11 3.90 0.00 1.81 1.94 0.87 1.08 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 0.00 133 G 8.29 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 8.43 4.02 0.00 3.16 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 0.00 135 N 8.11 3.79 0.00 2.55 1.79 0.00 0.00 7.00 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 0.00 136 M 8.11 3.77 0.00 1.76 2.07 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 137 A 7.88 3.86 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 0.00 138 L 7.81 3.92 0.00 1.83 1.95 1.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 139 M 8.35 4.14 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 140 A 7.86 4.01 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 0.00 141 M 8.52 3.92 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 142 V 7.95 3.60 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 143 N 7.80 4.35 0.00 2.94 2.86 0.00 0.00 7.12 7.07 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 0.00 144 I 7.88 3.74 1.89 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 1.52 0.66 0.92 0.00 0.00 145 L 8.19 4.01 0.00 1.80 1.74 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.12 3.99 1.44 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 0.00 0.00 147 E 8.07 3.84 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 148 M 8.48 4.08 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.67 0.00 149 K 8.14 3.97 0.00 2.11 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 150 A 8.00 4.28 1.44 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 0.00 0.00 151 F 8.18 4.33 0.00 3.13 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 0.00 152 Q 8.26 3.83 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 153 E 7.35 4.33 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.59 0.00 154 A 7.51 4.13 1.44 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 0.00 0.00 155 Q 7.97 4.00 0.00 1.74 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 156 K 7.33 3.83 0.00 1.89 1.86 0.00 1.55 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.38 7.81 157 N 7.87 4.68 0.00 2.98 2.88 0.00 0.00 6.71 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 N 9.35 4.54 0.00 2.61 2.60 0.00 0.00 7.04 7.44 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 * Residues marked with a * may have inaccurate shift predictions.