NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3830 8.3344 115.4186 57.4045 63.2486 172.0458 3 N 4.0001 7.6427 126.8751 53.3543 41.5598 172.2103 4 T 4.0980 9.3347 118.4564 64.1074 69.7557 173.9534 5 L 5.3909 8.3304 120.1722 52.4237 43.9232 176.2793 6 F 4.8455 7.5190 121.3084 58.1764 42.3267 171.7557 7 D 4.7257 7.0422 122.6114 52.9664 44.3809 173.5013 8 D 4.4096 8.7758 121.9338 53.6933 45.6137 173.9750 9 I 4.7945 7.9529 123.8355 60.0470 39.2181 174.9534 10 F 5.0614 9.3994 125.4824 55.6677 42.9503 174.3230 11 Q 4.8060 9.2787 121.7109 54.1095 31.3573 174.8022 12 V 4.2186 8.6800 128.3255 63.3718 31.9390 176.3573 13 S 4.7911 9.1330 122.5936 58.9624 64.7590 174.0183 14 E 4.8666 7.9806 119.9597 54.4136 33.3267 174.2213 15 V 4.6252 8.4118 124.5821 60.0043 33.7997 174.3683 16 D 4.7724 8.6705 126.2473 51.1888 43.1721 173.9175 17 P 4.8868 0.0000 0.0000 61.8267 30.0773 178.3404 18 G 3.8313 7.8310 112.5582 47.3879 0.0000 171.3031 19 R 3.6689 7.8130 123.2257 56.5881 27.6578 175.2955 20 Y 4.9499 7.1814 112.2571 57.4608 42.2129 174.7010 21 N 5.0455 8.9809 118.0112 53.3660 40.5669 175.2221 22 K 4.7978 7.6533 117.4261 55.3772 34.2631 175.8233 23 V 4.6208 7.7410 116.7829 62.3231 34.5103 171.7548 24 C 5.0736 9.0471 125.9654 57.8321 31.3091 173.0922 25 R 4.6967 8.3642 123.9460 56.0440 31.2845 174.8826 26 I 4.8106 9.0067 126.2479 59.3315 41.2692 173.5802 27 E 4.9505 8.6120 128.7431 55.4827 31.1841 175.4689 28 A 5.1571 8.9867 124.9823 50.8924 23.4360 175.6403 29 A 4.8796 9.2554 124.5891 50.6886 22.4121 175.2234 30 S 4.4241 8.2788 112.6957 56.5395 64.0445 174.2433 31 T 3.6235 7.7174 123.0515 66.8510 68.7473 173.9222 32 T 3.1876 9.0977 124.5394 63.9216 65.2974 173.3255 33 Q 4.0421 8.8152 125.4736 57.0543 29.5827 176.1358 34 D 4.6687 8.7410 122.6182 54.9615 41.2940 176.6819 35 Q 4.6459 7.8287 116.7988 55.5723 29.1829 174.6903 36 C 5.3135 8.0808 117.7574 58.8936 34.5789 172.7450 37 K 4.9722 8.6902 123.7033 55.4124 36.7245 174.3925 38 L 5.0202 8.9539 121.6423 53.6395 45.7441 174.9830 39 T 5.1773 8.7152 122.0612 61.7265 71.8541 172.8979 40 L 4.9169 8.7458 127.2160 53.9730 46.2248 173.7239 41 D 5.2359 8.8031 126.7639 53.5300 41.9920 176.0256 42 I 5.1727 8.7296 124.5158 58.1408 41.1085 174.5661 43 N 5.0642 9.2212 125.8609 53.4133 37.9509 174.7031 44 V 4.1849 8.1780 120.5615 62.5186 31.7448 175.9235 45 E 4.4104 8.2424 119.7269 57.9799 30.5842 177.1380 46 L 4.1408 8.7584 118.2135 57.0955 41.9236 177.0825 47 F 4.7466 8.5911 121.6804 56.0430 41.1331 172.1340 48 P 4.3704 0.0000 0.0000 62.5551 31.9798 175.7445 49 V 4.1089 7.5270 116.7680 62.4296 34.0109 172.2272 50 A 4.4458 8.1184 125.7865 50.9256 22.0361 175.7345 51 A 3.9553 8.4967 120.6277 54.0990 19.0528 177.8899 52 Q 3.3779 7.7807 121.3661 57.2188 26.9141 172.5548 53 D 5.0389 7.5313 117.3615 53.2234 44.5980 177.2149 54 S 5.4931 8.2053 113.4975 57.5506 65.4973 173.6416 55 L 4.9650 8.6831 124.0348 53.0300 45.7162 175.7505 56 T 4.8585 8.5562 119.6702 63.0903 70.3135 174.0063 57 V 5.0095 9.3367 125.1891 61.6391 35.3665 174.4292 58 T 5.2868 8.6325 122.6277 62.5703 72.8248 173.5810 59 I 4.6162 8.8828 120.7505 58.9742 39.2280 178.5112 60 A 4.3183 10.4033 125.8652 53.8074 18.6145 179.0581 61 S 5.0911 8.0300 111.7753 56.6587 64.3008 173.9430 62 S 4.4334 7.1811 125.4119 59.6157 69.1094 178.5598 63 L 4.0461 8.5419 114.0301 53.9349 39.8937 176.6762 *76 T 4.0940 7.4640 121.1759 64.1147 69.9805 172.9501 77 R 3.5338 7.9716 121.6403 55.6011 30.0876 176.9208 78 S 3.9490 8.7282 113.3996 58.4895 62.7904 173.9353 79 W 4.1012 8.8590 134.7707 57.4903 29.6400 175.5502 80 R 3.9906 7.8151 124.6160 54.4925 30.3905 174.8650 81 P 3.9347 0.0000 0.0000 61.9880 30.9726 173.7020 82 P 3.9932 0.0000 0.0000 60.8626 31.5213 177.0968 83 Q 3.4047 8.1755 116.5281 56.7211 28.4019 175.5627 84 A 3.9703 7.9319 120.2138 55.5476 18.5372 180.4082 85 G 3.8744 7.9153 104.1061 48.4806 0.0000 173.2403 86 D 4.9116 7.6574 119.0152 53.8172 42.5540 175.0885 87 R 4.5261 9.1388 121.0374 54.7955 31.6675 175.1207 88 S 4.6552 8.5843 117.9796 57.3341 65.7919 174.0447 89 L 4.3662 8.2928 123.4035 54.3442 42.0328 177.4956 90 A 4.4065 8.3853 132.6873 51.9603 16.8903 178.5983 91 D 5.0463 7.6089 120.5519 52.2215 39.8690 175.2715 92 D 4.5195 8.3506 125.1085 55.7948 41.6904 176.7559 93 Y 4.3545 7.6422 116.6723 57.7113 38.9744 175.2858 94 D 4.6084 8.7393 122.1613 57.0127 41.8324 176.2719 95 Y 4.6990 8.0845 119.2760 55.6200 41.8760 174.3784 96 V 5.5225 7.9957 125.2571 61.8188 34.9378 173.2986 97 M 4.8691 8.6477 125.9996 53.6719 36.3048 173.7690 98 Y 5.0179 8.6078 120.1403 56.6339 41.3782 173.9679 99 G 3.1993 7.3267 114.8059 45.1384 0.0000 171.2291 100 T 4.7186 8.0274 115.7258 61.5574 72.7110 173.2483 101 A 3.9904 7.7942 125.1222 51.2075 19.4453 175.5144 102 Y 4.3417 7.9690 118.0020 56.3747 40.7103 175.4856 103 K 4.4704 6.6407 118.5874 53.5590 35.7140 174.6037 104 F 5.0370 8.7206 120.9132 55.5989 41.8192 174.2660 105 E 4.6971 9.0701 124.8711 53.9853 32.2048 174.7310 106 E 4.2863 8.9869 126.9771 56.1353 30.1452 177.5009 107 V 4.3106 8.3295 126.7740 62.9535 32.6837 177.4122 108 S 3.3009 8.6362 114.4844 57.3177 63.2925 170.6157 109 K 3.9385 9.3956 116.7922 58.0800 30.3981 175.4041 110 D 4.6266 9.1881 122.2034 54.6529 38.0779 173.3036 111 L 5.0808 7.4068 116.9792 53.9189 46.0656 175.2657 112 I 4.7651 8.5030 119.3251 60.2253 42.2182 173.2654 113 A 5.5247 8.4719 127.7190 50.3405 22.6255 175.7149 114 V 4.3212 8.1593 115.2327 59.8154 34.7874 174.3677 115 Y 5.1380 7.5621 120.1040 56.4660 40.9112 174.5609 116 Y 5.0685 9.1995 120.0087 56.3233 42.8771 174.8585 117 S 4.5031 9.2776 116.2142 57.0475 65.5116 172.8860 118 F 4.4229 9.6566 128.8645 55.8417 38.5292 176.6629 119 G 3.7566 8.9699 117.1541 46.3015 0.0000 172.4086 120 G 3.8693 8.2959 106.8244 45.1525 0.0000 172.8496 121 L 4.3697 8.3570 121.2913 54.6021 42.5227 176.6019 122 L 5.6352 10.4534 124.7202 53.0681 44.8944 175.4022 123 M 5.3070 8.5655 119.0544 54.4063 35.9502 173.1536 124 R 5.0073 9.3300 126.4946 54.4802 33.4607 174.2027 125 L 4.9909 8.4053 127.0079 53.4373 46.0130 174.1712 126 E 4.9191 8.5012 127.0682 54.0670 32.3187 172.8972 127 G 3.8588 9.6216 118.9459 46.2319 0.0000 174.4704 128 N 4.9546 8.5486 118.3874 54.5585 44.9900 174.5647 129 Y 4.5298 7.6170 113.7843 57.6366 38.2960 175.5465 130 R 4.5624 7.3958 119.4214 56.4502 30.5153 177.9093 131 N 4.3016 8.2960 117.9073 56.2510 38.5049 176.0498 132 L 4.4466 7.8606 113.9753 54.7741 42.0139 176.1311 133 N 4.7783 7.0743 114.7682 54.6602 40.9458 174.3607 134 N 4.7733 7.9347 122.7599 53.5252 36.5437 174.9931 135 L 4.2278 7.9216 122.7702 54.3805 42.6618 177.2266 136 K 4.1589 8.3551 115.9513 57.0464 30.2153 177.1230 137 Q 4.5524 7.7992 121.0762 54.5957 30.6188 176.3611 138 E 4.1787 8.6682 120.3861 59.1086 29.7403 177.6648 139 N 4.6136 8.1308 115.1156 53.0593 39.9689 172.0072 140 A 4.7564 8.2567 126.5777 51.7812 19.8616 176.3754 141 Y 5.4167 8.5709 122.4693 56.9144 41.6792 174.5907 142 L 4.9307 8.5652 120.8246 54.1326 46.0375 174.2981 143 L 5.1184 8.3033 124.6258 52.8921 45.2341 175.4743 144 I 5.7659 9.2247 124.5868 58.5944 40.7385 174.8583 145 R 4.7955 8.4026 121.0378 55.4533 33.2938 175.3764 146 R 4.1438 8.4202 119.1548 57.0214 30.9127 176.1226 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 S 8.33 4.38 0.00 4.00 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 3 N 7.64 4.00 0.00 2.88 2.70 0.00 0.00 7.08 6.33 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 4 T 9.33 4.10 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 1.29 0.00 0.00 5 L 8.33 5.39 0.00 1.71 1.76 1.03 1.09 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 6 F 7.52 4.85 0.00 3.25 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 7 D 7.04 4.73 0.00 2.54 2.25 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 8 D 8.78 4.41 0.00 2.64 2.38 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 9 I 7.95 4.79 1.83 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 1.38 1.05 0.93 0.00 0.00 10 F 9.40 5.06 0.00 3.14 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 11 Q 9.28 4.81 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 12 V 8.68 4.22 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 0.98 0.00 0.00 0.96 0.00 0.00 13 S 9.13 4.79 0.00 3.87 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 14 E 7.98 4.87 0.00 2.03 1.77 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 2.28 2.32 0.00 15 V 8.41 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 0.76 0.00 0.00 0.92 0.00 0.00 16 D 8.67 4.77 0.00 2.75 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 17 P 0.00 4.89 0.00 2.25 2.11 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 18 G 7.83 3.83 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 0.00 0.00 0.00 19 R 7.81 3.67 0.00 1.71 1.70 0.00 3.33 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 20 Y 7.18 4.95 0.00 2.94 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 21 N 8.98 5.05 0.00 2.73 2.86 0.00 0.00 6.73 7.61 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 22 K 7.65 4.80 0.00 1.65 1.72 0.00 1.70 0.00 0.00 2.08 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.42 7.81 23 V 7.74 4.62 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.78 0.00 0.00 24 C 9.05 5.07 0.00 2.84 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 25 R 8.36 4.70 0.00 1.93 1.83 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 26 I 9.01 4.81 1.85 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 1.21 1.48 0.85 0.00 0.00 27 E 8.61 4.95 0.00 2.05 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 2.31 2.33 0.00 28 A 8.99 5.16 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 29 A 9.26 4.88 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 30 S 8.28 4.42 0.00 3.36 3.82 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 0.00 0.00 0.00 31 T 7.72 3.62 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 1.18 0.00 0.00 32 T 9.10 3.19 4.18 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 0.00 0.00 1.15 0.00 0.00 33 Q 8.82 4.04 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 34 D 8.74 4.67 0.00 2.68 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 35 Q 7.83 4.65 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 36 C 8.08 5.31 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 37 K 8.69 4.97 0.00 1.87 1.91 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.48 7.81 38 L 8.95 5.02 0.00 1.64 1.53 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.72 5.18 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 1.31 0.00 0.00 40 L 8.75 4.92 0.00 1.61 1.35 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.80 5.24 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 42 I 8.73 5.17 1.86 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.23 0.95 0.00 0.00 43 N 9.22 5.06 0.00 2.79 2.83 0.00 0.00 7.33 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 44 V 8.18 4.18 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 1.08 0.00 0.00 0.95 0.00 0.00 45 E 8.24 4.41 0.00 1.98 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 0.00 2.23 2.32 0.00 46 L 8.76 4.14 0.00 1.87 1.74 0.84 0.75 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 47 F 8.59 4.75 0.00 3.36 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 1.86 1.85 0.00 3.43 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 49 V 7.53 4.11 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 0.65 0.00 0.00 0.79 0.00 0.00 50 A 8.12 4.45 1.16 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 0.00 0.00 51 A 8.50 3.96 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 52 Q 7.78 3.38 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 53 D 7.53 5.04 0.00 2.81 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 54 S 8.21 5.49 0.00 3.87 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 55 L 8.68 4.97 0.00 1.63 1.63 0.94 0.87 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 56 T 8.56 4.86 4.38 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 1.34 0.00 0.00 57 V 9.34 5.01 2.38 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 1.08 0.00 0.00 0.78 0.00 0.00 58 T 8.63 5.29 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 1.19 0.00 0.00 59 I 8.88 4.62 2.03 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 1.53 1.68 1.00 0.00 0.00 60 A 10.40 4.32 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 61 S 8.03 5.09 0.00 4.21 4.03 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 S 7.18 4.43 0.00 3.90 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 63 L 8.54 4.05 0.00 1.60 1.62 0.90 0.77 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 *76 T 7.46 4.09 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 1.26 0.00 0.00 77 R 7.97 3.53 0.00 1.93 1.90 0.00 3.25 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 78 S 8.73 3.95 0.00 4.02 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 79 W 8.86 4.10 0.00 3.21 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 80 R 7.82 3.99 0.00 1.57 1.68 0.00 3.19 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 81 P 0.00 3.93 0.00 1.87 1.94 0.00 3.49 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 82 P 0.00 3.99 0.00 2.13 1.93 0.00 3.65 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 83 Q 8.18 3.40 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 84 A 7.93 3.97 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 85 G 7.92 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 0.00 0.00 0.00 86 D 7.66 4.91 0.00 2.55 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 87 R 9.14 4.53 0.00 1.56 1.61 0.00 3.11 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 88 S 8.58 4.66 0.00 3.90 3.77 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 89 L 8.29 4.37 0.00 1.85 1.69 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.39 4.41 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 91 D 7.61 5.05 0.00 2.86 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 92 D 8.35 4.52 0.00 2.24 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 93 Y 7.64 4.35 0.00 2.94 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 94 D 8.74 4.61 0.00 2.33 2.76 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 0.00 0.00 0.00 95 Y 8.08 4.70 0.00 2.62 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 0.00 0.00 0.00 0.00 96 V 8.00 5.52 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 0.89 0.00 0.00 0.94 0.00 0.00 97 M 8.65 4.87 0.00 1.90 1.37 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 98 Y 8.61 5.02 0.00 2.22 2.54 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 99 G 7.33 3.20 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 0.00 0.00 0.00 0.00 100 T 8.03 4.72 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 1.13 0.00 0.00 101 A 7.79 3.99 0.41 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 0.00 102 Y 7.97 4.34 0.00 2.90 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 0.00 103 K 6.64 4.47 0.00 1.55 1.73 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.43 7.81 104 F 8.72 5.04 0.00 2.80 2.91 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 0.00 105 E 9.07 4.70 0.00 2.04 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 2.21 2.33 0.00 106 E 8.99 4.29 0.00 1.91 1.90 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 2.33 2.26 0.00 107 V 8.33 4.31 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 0.84 0.00 0.00 0.94 0.00 0.00 108 S 8.64 3.30 0.00 4.17 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 0.00 109 K 9.40 3.94 0.00 1.95 1.84 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 D 9.19 4.63 0.00 2.97 2.91 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 0.00 111 L 7.41 5.08 0.00 1.51 1.52 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.50 4.77 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.21 0.84 0.00 0.00 113 A 8.47 5.52 0.92 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 0.00 114 V 8.16 4.32 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 0.83 0.00 0.00 0.91 0.00 0.00 115 Y 7.56 5.14 0.00 2.00 1.68 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 0.00 116 Y 9.20 5.07 0.00 3.11 2.91 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 0.00 117 S 9.28 4.50 0.00 3.51 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.66 4.42 0.00 3.14 2.97 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 0.00 119 G 8.97 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.30 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 0.00 0.00 0.00 121 L 8.36 4.37 0.00 1.83 1.67 0.99 0.42 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 0.00 122 L 10.45 5.64 0.00 1.70 1.75 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.57 5.31 0.00 2.35 1.89 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 2.59 2.75 0.00 124 R 9.33 5.01 0.00 1.97 1.74 0.00 3.23 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 125 L 8.41 4.99 0.00 1.67 1.28 0.86 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.50 4.92 0.00 1.93 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 2.16 2.17 0.00 127 G 9.62 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 0.00 0.00 0.00 128 N 8.55 4.95 0.00 2.82 2.88 0.00 0.00 6.83 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 0.00 129 Y 7.62 4.53 0.00 3.18 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 0.00 130 R 7.40 4.56 0.00 1.73 1.86 0.00 2.80 0.00 0.00 2.80 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.00 131 N 8.30 4.30 0.00 2.73 2.88 0.00 0.00 7.03 7.85 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 0.00 132 L 7.86 4.45 0.00 1.67 1.72 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.07 4.78 0.00 2.83 2.95 0.00 0.00 7.10 6.92 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 0.00 134 N 7.93 4.77 0.00 2.90 2.91 0.00 0.00 7.21 7.73 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 0.00 135 L 7.92 4.23 0.00 1.70 1.68 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.36 4.16 0.00 1.68 1.48 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 1.31 7.81 137 Q 7.80 4.55 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 138 E 8.67 4.18 0.00 2.06 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 2.34 2.28 0.00 139 N 8.13 4.61 0.00 2.82 2.91 0.00 0.00 6.91 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 0.00 140 A 8.26 4.76 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.57 5.42 0.00 3.13 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 0.00 142 L 8.57 4.93 0.00 1.60 1.13 0.79 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.30 5.12 0.00 0.75 0.48 0.78 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.22 5.77 1.46 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.14 0.68 0.00 0.00 145 R 8.40 4.80 0.00 1.95 2.11 0.00 2.83 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 146 R 8.42 4.14 0.00 1.91 1.93 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.