NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2966 7.8827 121.4064 61.1619 38.9926 173.8680 3 K 4.8424 8.6156 128.1389 54.1545 35.2808 173.7626 4 K 4.8308 9.0868 126.9606 54.7066 36.1995 174.6487 5 E 3.1480 7.9868 120.7448 55.6084 32.6829 173.9939 6 G 3.5962 6.4286 106.8727 44.4383 0.0000 170.3317 7 P 4.2597 0.0000 0.0000 64.4553 31.2188 176.8326 8 G 4.0581 10.5775 111.6433 44.8888 0.0000 171.6546 9 W 5.9068 7.9783 115.1417 56.7042 31.7536 173.4922 10 R 4.8330 8.4713 115.3301 55.4553 32.3193 173.6337 11 I 5.1683 9.0479 121.5543 59.9081 41.3088 174.3666 12 I 5.0455 9.0489 127.7601 59.3872 40.8730 174.0372 13 F 5.2221 9.5768 129.8546 56.3840 41.4959 174.2110 14 D 4.4374 8.6183 126.2050 52.1732 42.2519 176.4758 15 S 3.8531 8.0987 122.9630 60.8498 63.0848 176.3836 16 S 4.1574 7.7980 114.1200 60.2009 63.0112 174.5720 17 R 4.1155 7.6842 123.8863 56.2140 29.9286 177.1003 18 D 4.4896 8.6792 122.3656 54.8072 39.5267 171.5346 19 N 4.7169 7.2841 112.8109 54.8883 41.9545 173.7950 20 F 5.0629 7.7659 120.8975 56.8687 38.1052 175.5584 21 S 4.5652 8.1006 115.9581 58.7777 64.9166 174.4652 22 T 5.1617 8.0711 118.1587 61.7554 72.1154 172.5783 23 L 5.3686 9.1677 127.2792 53.1846 45.3836 174.9545 24 I 5.2738 9.0329 119.4450 59.3487 40.6050 174.7292 25 G 3.8544 9.5912 111.3380 44.7211 0.0000 172.1915 26 G 4.3141 5.9724 110.7384 42.7485 0.0000 172.2916 27 E 3.9933 8.9085 119.2446 58.7949 29.7903 178.7836 28 T 4.6468 7.6361 105.6945 60.4504 69.4195 173.0685 29 W 5.0506 7.2168 116.9557 56.2303 30.6258 172.7044 30 A 5.4249 8.3944 119.9133 51.0055 21.7190 175.6344 31 I 4.8039 9.2751 113.8360 59.2856 41.4050 174.4451 32 E 5.0476 8.7645 123.0590 55.9749 30.8552 175.6993 33 L 5.4787 9.4139 121.7626 53.1622 46.4933 176.3515 34 D 5.0906 9.6335 123.8478 52.2317 40.9657 178.2043 35 K 4.1632 8.7785 124.0383 60.1721 31.4551 178.8135 36 S 4.3865 8.1965 113.5652 61.4617 62.4472 175.9817 37 E 4.3373 9.4136 121.6879 59.1991 29.2462 179.2151 38 W 4.4860 8.7985 128.5584 60.4113 30.9392 177.7814 39 K 3.5913 8.3606 119.6322 59.7609 31.5416 178.7845 40 I 3.9056 7.9019 119.9145 64.0672 36.9144 178.1457 41 L 3.0804 7.9837 121.3010 57.8618 41.6023 179.2203 42 V 3.1526 6.7699 116.5344 65.7533 31.4037 177.3681 43 E 3.9766 7.4783 116.8791 59.4134 29.6463 179.2751 44 V 3.7178 7.7764 118.2067 65.8704 31.5484 179.4240 45 V 3.7892 7.6671 116.3175 63.3155 31.1656 177.4197 *47 E 4.1656 8.1517 118.0544 55.8197 31.5019 178.1176 48 L 3.8319 7.9064 119.9535 58.1215 41.9756 178.5437 49 C 3.4512 7.9980 118.7704 62.3317 31.5433 175.2554 50 D 4.2431 7.8725 120.0382 57.2218 40.4296 178.4257 51 Q 3.8441 8.1861 120.2277 59.2536 29.0291 177.5017 52 Y 3.9598 8.0779 120.8983 60.7907 38.5289 178.4036 53 K 3.5039 7.7835 118.0866 59.0297 32.5109 178.8965 54 L 3.9966 7.5990 120.5084 57.9986 42.0865 179.3462 55 V 3.7055 7.6980 119.2933 64.1644 31.3589 178.2784 56 K 3.8226 7.9173 119.5855 59.3011 31.9227 178.6555 57 E 3.9859 7.4675 118.2563 58.1393 29.4539 177.2448 58 Q 4.3514 7.6872 115.1129 55.8577 29.5645 176.3787 59 L 4.3827 7.0274 119.2584 54.4011 44.1506 177.3419 *61 G 4.1482 7.9343 108.8706 46.6053 0.0000 173.3307 62 D 5.0778 8.7621 122.7136 52.4563 39.5891 175.8389 63 E 3.9435 8.2850 120.0683 57.7923 29.9212 175.8404 64 D 5.2254 8.4378 124.9007 53.1537 43.6162 175.3136 65 I 4.7643 8.9786 119.4454 59.9034 41.9083 173.7220 66 T 5.1702 8.5878 123.9408 61.8294 71.5422 173.2808 67 L 4.9641 9.0960 125.1552 53.0340 45.9682 175.4190 68 E 5.2851 8.7278 120.2313 54.7593 33.7098 174.9873 69 L 4.6652 8.8549 123.5401 53.7028 45.9468 174.0882 70 E 5.1096 8.8685 126.6083 54.5335 32.4830 175.6062 71 R 4.4014 9.3511 127.2453 54.6667 31.3582 173.7949 72 R 4.1796 8.6283 123.6053 56.7324 30.6749 174.6727 73 P 4.7234 0.0000 0.0000 62.6011 32.7829 174.6487 74 W 5.3914 8.6239 121.0109 55.2868 32.1082 174.5719 75 L 5.1687 9.2127 125.7013 53.3439 44.3062 174.6389 76 A 5.2858 9.1102 128.7264 50.3027 21.7417 175.1918 77 I 4.9447 9.0088 123.0149 59.4206 40.7515 174.1643 78 L 5.2783 9.4056 129.8322 53.3224 44.6495 174.7164 79 N 5.4434 8.8827 122.9872 51.8022 42.4147 173.9714 80 G 4.3426 8.9159 109.9682 46.2409 0.0000 170.2136 81 D 4.9064 8.8551 118.0542 52.1742 41.9149 175.5860 82 Q 4.0625 8.5680 115.5454 58.4783 28.6739 175.9850 83 Y 4.6136 7.9561 115.5707 58.0984 39.4116 175.0186 84 G 4.3522 7.7928 105.1500 46.1189 0.0000 171.9929 85 W 5.7841 7.5869 115.3856 54.9831 31.4971 173.5751 86 N 5.0052 9.2435 119.1677 51.2091 40.5995 173.1038 87 L 5.0476 8.2928 120.5234 53.7298 45.9040 174.3280 88 R 5.2489 9.3158 126.9418 54.5759 32.8622 174.3230 89 L 5.3460 9.1672 125.7749 53.0309 45.3738 175.3265 90 I 4.7072 9.3220 124.8710 59.5175 39.9979 174.3784 91 L 4.3375 8.6920 130.9609 53.1621 43.1161 175.8427 92 S 4.6565 8.7246 123.6792 58.0249 63.4964 174.5971 93 A 4.4802 8.4405 125.2970 52.3163 19.0636 176.9577 94 S 4.3887 9.1961 114.4450 57.8185 66.6275 175.3719 95 G 3.8454 8.6781 109.9835 46.9887 0.0000 173.4391 96 L 3.9588 8.1318 117.5729 56.6323 41.9399 177.6673 97 F 5.1109 7.5956 114.6065 58.0177 41.2432 175.8359 98 N 5.0676 7.8432 120.1693 51.5368 36.9253 174.7332 99 R 4.2618 8.1389 118.2337 55.9725 30.6053 177.4534 100 G 3.9113 8.5509 107.9315 46.6579 0.0000 171.9290 101 A 4.6739 8.3692 120.2833 51.1487 23.3312 175.2687 102 E 5.0377 8.3497 117.6363 55.0098 33.4918 175.5489 103 V 3.7331 8.6073 116.2973 59.9130 36.6618 173.4934 104 Y 5.1825 7.0363 121.1930 56.3750 41.8237 173.6221 105 W 5.0835 8.6016 125.9161 54.2853 32.6518 173.9011 106 P 4.6509 0.0000 0.0000 61.3315 33.3594 175.0526 107 R 4.2070 8.1585 117.9208 57.8939 29.6975 176.0910 108 H 4.6378 8.6692 122.8852 56.7891 27.5294 177.5447 109 V 3.5065 7.5230 117.6764 66.0032 31.1359 177.5751 110 T 3.1206 6.9719 109.4941 64.9904 68.0117 175.8556 111 N 4.2639 7.1477 117.8046 55.9383 38.5626 177.1976 112 N 4.0459 7.4240 117.3978 55.8105 38.4167 177.5233 113 V 2.1827 6.3761 118.5709 65.6757 31.5595 178.3314 114 V 3.6268 7.3055 110.8193 64.2520 31.7165 178.0096 115 N 4.4577 7.9221 116.1629 56.0290 38.0736 177.7211 116 A 4.0525 7.0965 117.5943 52.8817 18.2636 178.1327 *118 R 4.2526 7.9159 122.4434 57.6359 31.8795 175.5275 119 S 4.3266 7.8869 115.4432 58.5198 62.9953 173.6794 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 I 7.88 4.30 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.88 0.99 0.00 0.00 3 K 8.62 4.84 0.00 1.76 1.59 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.48 7.81 4 K 9.09 4.83 0.00 1.88 1.94 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 5 E 7.99 3.15 0.00 1.46 1.45 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 1.94 1.98 0.00 6 G 6.43 3.60 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 0.00 0.00 0.00 7 P 0.00 4.26 0.00 2.11 2.05 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 8 G 10.58 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 9 W 7.98 5.91 0.00 3.39 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 10 R 8.47 4.83 0.00 1.73 1.77 0.00 2.83 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 11 I 9.05 5.17 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.12 0.80 0.00 0.00 12 I 9.05 5.05 1.86 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 1.08 0.67 0.88 0.00 0.00 13 F 9.58 5.22 0.00 2.69 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 14 D 8.62 4.44 0.00 2.52 2.32 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 15 S 8.10 3.85 0.00 3.79 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 16 S 7.80 4.16 0.00 3.95 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 17 R 7.68 4.12 0.00 1.87 1.92 0.00 3.30 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 18 D 8.68 4.49 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.28 4.72 0.00 2.54 2.29 0.00 0.00 7.24 7.71 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 20 F 7.77 5.06 0.00 3.15 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 21 S 8.10 4.57 0.00 3.80 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.07 5.16 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 23 L 9.17 5.37 0.00 1.67 1.49 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.03 5.27 2.57 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 1.40 0.00 0.00 25 G 9.59 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 26 G 5.97 4.31 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 0.00 27 E 8.91 3.99 0.00 1.99 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 0.00 2.30 2.30 0.00 28 T 7.64 4.65 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 29 W 7.22 5.05 0.00 3.51 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.39 5.42 1.21 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 0.00 0.00 31 I 9.28 4.80 1.95 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 1.53 1.17 0.99 0.00 0.00 32 E 8.76 5.05 0.00 1.68 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 2.31 2.31 0.00 33 L 9.41 5.48 0.00 1.86 1.92 1.54 1.64 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 34 D 9.63 5.09 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.78 4.16 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.08 7.81 36 S 8.20 4.39 0.00 3.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 9.41 4.34 0.00 2.52 2.42 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 2.35 2.56 0.00 38 W 8.80 4.49 0.00 3.56 3.45 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 39 K 8.36 3.59 0.00 2.02 2.01 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 40 I 7.90 3.91 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.74 1.15 0.00 0.00 41 L 7.98 3.08 0.00 1.00 1.57 -0.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 42 V 6.77 3.15 1.47 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 0.61 0.00 0.00 -0.57 0.00 0.00 43 E 7.48 3.98 0.00 2.10 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 2.26 2.37 0.00 44 V 7.78 3.72 2.01 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 0.95 0.00 0.00 0.95 0.00 0.00 45 V 7.67 3.79 2.01 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 1.03 0.00 0.00 0.90 0.00 0.00 *47 E 8.15 4.17 0.00 2.17 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 2.24 2.39 0.00 48 L 7.91 3.83 0.00 1.86 1.52 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.00 3.45 0.00 2.68 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.87 4.24 0.00 2.80 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 51 Q 8.19 3.84 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 52 Y 8.08 3.96 0.00 2.74 2.70 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 53 K 7.78 3.50 0.00 1.63 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.63 7.81 54 L 7.60 4.00 0.00 1.77 1.68 0.85 0.83 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 55 V 7.70 3.71 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 0.79 0.00 0.00 0.87 0.00 0.00 56 K 7.92 3.82 0.00 1.59 1.28 0.00 1.06 0.00 0.00 0.95 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.21 1.20 7.81 57 E 7.47 3.99 0.00 1.97 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 2.36 2.36 0.00 58 Q 7.69 4.35 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 59 L 7.03 4.38 0.00 1.60 1.64 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 *61 G 7.93 4.15 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 0.00 62 D 8.76 5.08 0.00 2.87 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 63 E 8.28 3.94 0.00 1.97 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 2.31 2.37 0.00 64 D 8.44 5.23 0.00 2.64 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 65 I 8.98 4.76 1.92 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 1.23 1.65 1.11 0.00 0.00 66 T 8.59 5.17 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 1.30 0.00 0.00 67 L 9.10 4.96 0.00 1.52 1.48 0.92 1.02 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 68 E 8.73 5.29 0.00 1.81 1.82 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 2.23 2.29 0.00 69 L 8.85 4.67 0.00 1.71 1.45 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.87 5.11 0.00 2.01 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 2.21 2.52 0.00 71 R 9.35 4.40 0.00 1.85 1.84 0.00 3.20 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 72 R 8.63 4.18 0.00 1.86 1.90 0.00 3.25 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 73 P 0.00 4.72 0.00 1.80 2.13 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.83 0.00 74 W 8.62 5.39 0.00 3.38 3.09 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 0.00 75 L 9.21 5.17 0.00 1.78 1.56 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 A 9.11 5.29 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 77 I 9.01 4.94 1.95 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 1.31 0.88 0.97 0.00 0.00 78 L 9.41 5.28 0.00 1.67 1.62 0.22 0.47 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 79 N 8.88 5.44 0.00 2.94 2.74 0.00 0.00 6.36 8.06 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 80 G 8.92 4.34 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 0.00 81 D 8.86 4.91 0.00 3.05 2.90 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 82 Q 8.57 4.06 0.00 1.80 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.91 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 83 Y 7.96 4.61 0.00 3.20 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 84 G 7.79 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.59 5.78 0.00 3.09 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 0.00 0.00 0.00 0.00 86 N 9.24 5.01 0.00 2.66 2.90 0.00 0.00 6.52 6.41 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 87 L 8.29 5.05 0.00 1.95 1.62 1.19 1.15 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 88 R 9.32 5.25 0.00 2.13 1.85 0.00 3.11 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 89 L 9.17 5.35 0.00 1.58 1.85 0.91 0.61 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 90 I 9.32 4.71 1.91 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 1.16 1.10 0.89 0.00 0.00 91 L 8.69 4.34 0.00 0.88 1.36 -0.23 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.72 4.66 0.00 3.66 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 93 A 8.44 4.48 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 94 S 9.20 4.39 0.00 3.80 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 95 G 8.68 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 96 L 8.13 3.96 0.00 0.27 1.01 0.60 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.60 5.11 0.00 3.32 3.29 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 98 N 7.84 5.07 0.00 2.92 2.84 0.00 0.00 6.58 7.54 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 99 R 8.14 4.26 0.00 1.79 1.93 0.00 2.98 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 100 G 8.55 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 0.00 101 A 8.37 4.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.35 5.04 0.00 1.67 1.70 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 2.15 2.25 0.00 103 V 8.61 3.73 0.67 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 -0.06 0.00 0.00 0.31 0.00 0.00 104 Y 7.04 5.18 0.00 2.76 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 0.00 105 W 8.60 5.08 0.00 3.19 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.65 0.00 2.16 2.40 0.00 3.87 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 2.09 2.12 0.00 107 R 8.16 4.21 0.00 1.55 1.46 0.00 3.35 0.00 0.00 3.90 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 108 H 8.67 4.64 0.00 3.35 3.46 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.52 3.51 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 1.05 0.00 0.00 0.99 0.00 0.00 110 T 6.97 3.12 2.69 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 0.59 0.00 0.00 111 N 7.15 4.26 0.00 2.84 2.88 0.00 0.00 7.08 6.80 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 0.00 112 N 7.42 4.05 0.00 2.29 2.44 0.00 0.00 6.78 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 0.00 113 V 6.38 2.18 1.19 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 -0.35 0.00 0.00 -0.63 0.00 0.00 114 V 7.31 3.63 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 0.97 0.00 0.00 1.07 0.00 0.00 115 N 7.92 4.46 0.00 2.75 2.81 0.00 0.00 6.83 8.15 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 0.00 116 A 7.10 4.05 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 *118 R 7.92 4.25 0.00 1.92 2.21 0.00 3.22 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 119 S 7.89 4.33 0.00 4.09 3.86 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 * Residues marked with a * may have inaccurate shift predictions.