NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.5954 8.3193 116.8085 57.7897 65.3517 173.8264 7 N 4.8186 7.6588 117.8534 48.4269 41.1109 172.9145 8 P 3.9087 0.0000 0.0000 65.2063 31.8736 179.8748 9 E 3.7798 7.7906 118.3893 59.4609 29.4166 178.6256 10 D 4.3367 8.5288 119.1617 57.2110 40.7920 178.6399 11 L 4.0283 7.9055 120.5387 58.1565 42.1215 178.7735 12 A 3.9665 8.3118 121.0480 55.2655 18.2276 179.8306 13 K 3.9397 8.0820 116.8842 59.5889 32.0282 179.4657 14 N 4.3655 8.4682 117.0018 56.1345 38.4249 176.9844 15 F 3.2200 8.1962 122.2383 61.5097 39.1264 177.3322 16 T 3.6756 7.6286 113.5299 66.3515 68.6333 176.0214 17 K 4.0148 8.1501 121.6425 60.0082 32.2001 178.5476 18 D 4.4271 8.3980 119.0231 57.0329 40.4706 178.3388 19 L 3.8175 7.6841 120.0017 56.9313 42.0255 177.3712 20 Y 4.4627 7.5459 114.3095 57.8802 38.5961 176.4839 21 S 4.2243 7.9752 116.0073 59.4087 63.6188 175.5385 22 G 3.8465 8.6346 107.7547 44.8589 0.0000 172.0463 23 D 4.8085 7.8625 119.2588 52.2681 42.7537 176.7697 24 T 3.9612 8.5336 124.4862 66.5463 68.9548 177.0778 25 K 3.9608 8.1999 119.6751 59.7170 32.3736 178.2617 26 S 4.3218 8.8205 114.3084 61.9118 63.0471 178.2737 27 V 3.9903 7.5077 117.9561 63.1978 30.3338 177.6040 *29 S 4.4998 8.0549 113.5100 57.6996 64.8371 174.0528 30 Y 4.3663 8.2124 118.6663 60.1222 38.9450 175.4800 31 I 4.6428 7.8110 119.9391 60.0496 38.5668 175.2976 32 D 4.4398 9.1819 127.9852 53.9916 41.3679 175.5032 33 L 4.6597 8.3869 125.3145 54.5914 42.1322 178.6244 34 S 4.2722 8.4343 120.3274 62.4392 62.7436 176.1289 35 E 4.1974 8.0971 112.9075 56.2568 29.8361 180.0334 36 A 4.4819 8.1487 123.0664 52.8470 18.7732 178.2155 37 K 4.2072 8.7847 122.7974 58.2330 32.7809 177.3647 38 S 4.6075 7.4227 112.6226 56.2947 66.7504 175.0495 39 D 4.4505 8.7138 124.2772 57.9578 40.4684 179.4030 40 E 3.9687 8.1712 118.3729 61.2108 29.8167 180.4890 41 E 4.2291 8.2683 120.6548 59.4226 29.6349 179.3140 42 K 4.0778 8.2713 118.1397 59.5984 32.0237 179.4561 43 T 3.8705 8.4722 116.5333 66.6059 68.5407 176.2122 44 F 4.2186 8.4312 122.4988 61.3237 39.4081 177.1469 45 V 3.2183 7.8480 117.6516 66.1408 31.3580 177.9354 46 S 4.0814 8.5136 113.0379 61.5418 62.1988 175.8653 47 D 4.3816 8.5175 122.0335 57.1158 40.6440 178.8689 48 K 3.9284 7.7359 118.7834 59.2325 31.8184 179.4850 49 I 3.7655 7.5544 120.2895 64.4996 37.0685 178.3906 50 T 4.0930 8.0349 120.4158 66.6256 68.2174 177.2640 51 Q 3.9553 8.0559 122.6057 60.1592 28.1543 181.3439 52 V 3.6907 7.5343 120.1354 65.6808 31.5278 178.2355 53 V 3.3734 7.9462 118.0157 65.8989 31.4581 177.7203 54 A 3.9204 7.8593 120.4467 55.0710 18.2163 179.0591 55 E 3.8215 8.1000 117.6736 59.7502 29.6585 178.9720 56 N 4.2968 8.1759 116.1456 55.9597 38.5020 177.3980 57 A 4.0253 8.1697 122.2104 55.1183 18.4558 179.5281 58 A 3.9182 7.8865 119.0672 55.0363 18.2121 179.7458 59 K 3.7352 7.9385 116.7958 59.5122 32.5392 178.3686 60 A 4.0619 8.3689 121.3712 55.2124 18.1325 179.3589 61 K 3.8797 7.7319 116.2961 59.6510 32.3359 180.3625 62 R 4.0477 7.7766 116.4500 56.2817 30.5146 177.6689 *64 G 3.7216 8.0139 105.4831 44.7684 0.0000 174.3152 65 G 4.0149 8.4267 106.0043 44.7848 0.0000 173.0623 66 V 3.9671 7.9211 118.6964 62.2617 32.2494 175.4708 67 K 4.2431 8.9414 129.2084 58.7398 32.9565 175.7123 68 D 4.5719 7.3194 116.4590 53.5377 44.8028 173.9945 69 I 4.9421 8.0830 121.7139 59.7026 40.5486 174.9114 70 Q 4.5929 8.9946 124.3203 54.3623 33.8069 173.7068 71 I 4.6327 8.2062 121.5516 60.4171 37.8772 175.5785 72 E 4.4357 8.8884 126.4258 57.5768 31.0160 176.5932 73 E 4.7645 7.8438 117.4858 54.5685 34.2783 174.6579 74 K 4.8938 8.5844 121.8719 54.9467 36.0699 175.8407 75 T 4.5555 9.2343 121.1438 61.9051 71.7003 173.0551 76 I 5.1734 8.3116 126.6401 59.7869 40.0474 174.7124 77 N 5.2625 9.0241 124.0433 51.1541 39.9422 174.3223 78 K 4.1660 9.0675 116.1692 59.9439 32.2201 177.0005 79 D 4.7291 8.0472 112.3409 52.5241 41.1260 175.5072 80 S 5.5191 8.8309 112.6879 57.9466 66.8323 173.0973 81 A 5.1618 9.2784 122.2483 50.6521 23.1645 175.0537 82 K 4.5578 9.3017 121.9354 54.5643 35.8145 175.2518 83 I 4.8687 8.1551 127.3529 59.7415 41.6183 174.0887 84 R 4.7153 9.0934 129.2460 55.4066 31.2918 174.9864 85 V 4.6284 8.5576 127.4950 61.3187 33.6553 174.0103 86 L 4.9616 9.2929 131.0104 53.5062 44.1747 174.8565 87 V 4.2997 9.2250 127.5150 61.0846 33.5879 174.0452 88 L 5.0871 8.2225 128.2033 52.5343 43.5481 175.8845 89 F 5.2864 8.6010 122.3533 55.7688 41.3493 176.9578 90 N 4.4498 9.1531 118.6864 55.5818 38.4555 175.9535 91 N 4.5626 8.1476 114.3191 52.6896 37.6387 175.2353 92 D 4.6793 8.3001 117.3771 54.6396 41.0089 173.5590 93 N 4.8597 8.2692 115.4170 53.1664 39.8913 173.6480 94 N 5.6919 8.4368 117.0325 51.8822 42.9642 173.3125 95 Q 4.9474 9.2999 119.0930 54.6059 33.5889 174.1942 96 S 5.0685 8.4340 116.0268 57.2043 66.6835 172.7596 97 S 4.6564 8.5081 113.5286 57.6392 66.5280 173.8195 98 N 4.8659 8.8042 118.7288 53.0573 39.4478 174.6864 99 V 4.3980 8.7677 123.8087 61.2670 33.8797 174.3544 100 F 5.3010 8.8861 126.0772 56.3250 41.4610 174.7240 101 L 5.3704 9.0349 120.4997 53.6696 46.6221 174.8146 102 A 5.1847 9.1720 121.8281 50.3860 23.2492 175.0196 103 K 4.1703 8.1676 122.1413 54.4357 33.4439 176.0125 104 K 4.4088 7.9276 126.7138 55.6030 35.5952 175.9363 105 D 4.4788 9.2789 120.5225 55.5954 39.3016 174.7234 106 R 3.7979 8.2971 116.1698 56.8842 28.8500 177.0994 107 K 4.7512 7.4359 121.2812 52.8337 35.2706 180.9522 108 W 4.6673 8.8619 124.0276 56.0455 30.0706 175.7416 109 L 5.0180 9.0435 123.2331 52.6713 45.8162 176.1637 110 V 4.1641 8.3994 121.8522 63.0408 32.5500 175.0533 111 L 4.9205 8.5836 127.2609 53.1080 43.5955 176.4159 112 L 4.2474 8.3099 121.8429 54.2157 42.4961 177.4703 113 K 3.9361 8.5988 121.3388 56.7250 31.9800 176.8810 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 6 S 8.32 4.60 0.00 3.93 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 7 N 7.66 4.82 0.00 2.90 2.87 0.00 0.00 6.05 6.88 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 8 P 0.00 3.91 0.00 1.58 0.63 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 9 E 7.79 3.78 0.00 2.13 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 0.00 2.30 2.32 0.00 10 D 8.53 4.34 0.00 2.95 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 11 L 7.91 4.03 0.00 1.94 1.74 1.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.31 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 3.94 0.00 1.95 1.85 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.63 7.81 14 N 8.47 4.37 0.00 2.93 3.11 0.00 0.00 6.65 8.45 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 15 F 8.20 3.22 0.00 2.49 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 16 T 7.63 3.68 4.36 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 1.26 0.00 0.00 17 K 8.15 4.01 0.00 1.96 2.00 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.49 7.81 18 D 8.40 4.43 0.00 2.80 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 19 L 7.68 3.82 0.00 1.42 1.50 0.52 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 7.55 4.46 0.00 3.10 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 21 S 7.98 4.22 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.63 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 23 D 7.86 4.81 0.00 2.69 2.53 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 0.00 24 T 8.53 3.96 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 1.21 0.00 0.00 25 K 8.20 3.96 0.00 2.02 1.90 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.04 7.81 26 S 8.82 4.32 0.00 4.08 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 27 V 7.51 3.99 2.22 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 1.02 0.00 0.00 0.77 0.00 0.00 *29 S 8.05 4.50 0.00 3.96 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 0.00 30 Y 8.21 4.37 0.00 3.27 2.95 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 31 I 7.81 4.64 1.96 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.95 0.00 0.00 32 D 9.18 4.44 0.00 2.66 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 33 L 8.39 4.66 0.00 1.75 1.65 0.95 0.93 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 34 S 8.43 4.27 0.00 3.89 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 35 E 8.10 4.20 0.00 1.99 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 2.23 1.87 0.00 36 A 8.15 4.48 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 37 K 8.78 4.21 0.00 2.16 1.88 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.47 1.24 7.81 38 S 7.42 4.61 0.00 4.01 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 39 D 8.71 4.45 0.00 2.80 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 40 E 8.17 3.97 0.00 1.97 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 2.32 1.94 0.00 41 E 8.27 4.23 0.00 2.07 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 0.00 2.40 2.45 0.00 42 K 8.27 4.08 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.66 7.81 43 T 8.47 3.87 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 1.26 0.00 0.00 44 F 8.43 4.22 0.00 3.11 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 45 V 7.85 3.22 2.22 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 0.91 0.00 0.00 0.98 0.00 0.00 46 S 8.51 4.08 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.52 4.38 0.00 2.68 2.68 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 48 K 7.74 3.93 0.00 1.75 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.35 7.81 49 I 7.55 3.77 1.97 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 1.67 0.99 0.91 0.00 0.00 50 T 8.03 4.09 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 1.19 0.00 0.00 51 Q 8.06 3.96 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 52 V 7.53 3.69 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 0.81 0.00 0.00 0.95 0.00 0.00 53 V 7.95 3.37 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 0.96 0.00 0.00 0.81 0.00 0.00 54 A 7.86 3.92 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 55 E 8.10 3.82 0.00 2.22 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 2.28 2.33 0.00 56 N 8.18 4.30 0.00 2.57 1.84 0.00 0.00 6.98 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 57 A 8.17 4.03 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 58 A 7.89 3.92 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.94 3.74 0.00 1.82 2.06 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.21 1.29 7.81 60 A 8.37 4.06 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.73 3.88 0.00 1.80 2.00 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 62 R 7.78 4.05 0.00 1.96 1.88 0.00 3.21 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 *64 G 8.01 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 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 0.00 0.00 0.00 66 V 7.92 3.97 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 0.66 0.00 0.00 0.66 0.00 0.00 67 K 8.94 4.24 0.00 1.90 1.81 0.00 1.87 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.34 7.81 68 D 7.32 4.57 0.00 2.72 2.34 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 69 I 8.08 4.94 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.83 0.00 0.00 70 Q 8.99 4.59 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 71 I 8.21 4.63 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 0.87 0.00 0.00 72 E 8.89 4.44 0.00 1.82 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 2.23 0.00 73 E 7.84 4.76 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 74 K 8.58 4.89 0.00 1.52 1.59 0.00 1.63 0.00 0.00 1.77 0.00 0.00 2.65 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.37 7.81 75 T 9.23 4.56 4.21 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 1.22 0.00 0.00 76 I 8.31 5.17 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.83 0.00 0.00 77 N 9.02 5.26 0.00 2.93 2.97 0.00 0.00 6.69 8.04 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 78 K 9.07 4.17 0.00 2.05 1.96 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.02 7.81 79 D 8.05 4.73 0.00 2.54 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 80 S 8.83 5.52 0.00 4.05 4.05 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 81 A 9.28 5.16 1.06 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 82 K 9.30 4.56 0.00 1.58 1.49 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.97 0.29 7.81 83 I 8.16 4.87 1.74 0.00 0.00 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 0.97 0.28 0.86 0.00 0.00 84 R 9.09 4.72 0.00 1.92 1.83 0.00 3.06 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 85 V 8.56 4.63 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 0.85 0.00 0.00 0.91 0.00 0.00 86 L 9.29 4.96 0.00 1.69 1.56 0.96 -0.04 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 87 V 9.23 4.30 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 0.63 0.00 0.00 88 L 8.22 5.09 0.00 1.61 1.46 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.60 5.29 0.00 3.20 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 90 N 9.15 4.45 0.00 2.78 2.90 0.00 0.00 6.96 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 91 N 8.15 4.56 0.00 2.82 2.91 0.00 0.00 6.10 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 92 D 8.30 4.68 0.00 2.84 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 93 N 8.27 4.86 0.00 3.01 2.79 0.00 0.00 6.75 7.08 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 94 N 8.44 5.69 0.00 2.60 2.62 0.00 0.00 6.73 7.31 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 95 Q 9.30 4.95 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 96 S 8.43 5.07 0.00 3.88 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 97 S 8.51 4.66 0.00 3.94 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 98 N 8.80 4.87 0.00 2.65 2.28 0.00 0.00 6.73 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 99 V 8.77 4.40 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 0.84 0.00 0.00 1.06 0.00 0.00 100 F 8.89 5.30 0.00 3.06 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 0.00 101 L 9.03 5.37 0.00 1.72 1.81 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 102 A 9.17 5.18 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 0.00 103 K 8.17 4.17 0.00 0.79 0.90 0.00 1.29 0.00 0.00 1.33 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.80 0.21 7.81 104 K 7.93 4.41 0.00 1.67 1.56 0.00 1.83 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.24 7.81 105 D 9.28 4.48 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 106 R 8.30 3.80 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 107 K 7.44 4.75 0.00 1.45 1.62 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 1.25 7.81 108 W 8.86 4.67 0.00 3.21 3.23 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 0.00 109 L 9.04 5.02 0.00 1.57 1.65 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.40 4.16 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 0.44 0.00 0.00 -0.06 0.00 0.00 111 L 8.58 4.92 0.00 1.57 1.56 0.97 0.93 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 0.00 112 L 8.31 4.25 0.00 1.63 1.60 0.93 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 0.00 113 K 8.60 3.94 0.00 1.74 1.64 0.00 1.88 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.