NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.3269 8.3449 119.1182 54.7635 29.8670 174.5187 3 T 4.0158 8.2602 117.6809 60.7355 69.1648 172.4908 4 P 4.6544 0.0000 0.0000 62.5629 34.4368 174.6026 5 A 4.9309 8.8122 122.7135 50.9831 20.9395 176.2087 6 L 4.6640 8.8481 123.5987 53.4064 44.6967 175.3907 7 I 4.7252 8.7038 129.1600 60.2113 38.8487 175.0742 8 I 4.3838 8.7854 129.8173 59.7611 39.1001 175.1265 9 V 4.7917 8.4879 127.8790 61.6500 33.3148 174.2813 10 T 5.9781 9.6406 122.3469 58.5602 71.2929 172.5632 11 G 4.5388 8.2883 115.1568 44.6515 0.0000 172.0414 12 H 4.3942 7.8576 117.9711 54.4028 29.4795 173.4418 13 P 4.0932 0.0000 0.0000 64.5470 31.2009 176.6696 14 A 3.7502 8.8084 123.3142 52.8817 15.9780 178.9932 15 T 3.9141 7.5395 106.2527 63.0264 69.2099 175.6698 16 G 4.0265 7.8208 111.6542 45.1210 0.0000 175.6253 17 K 3.9184 8.0277 120.2985 60.2293 32.3785 178.9933 18 T 3.8144 7.7975 116.3032 66.8419 68.5045 176.4762 19 T 3.8627 7.7771 116.8588 66.5127 68.5301 176.3045 20 L 3.9619 8.0991 122.5350 58.2263 42.1422 179.1652 21 S 4.1247 8.3250 114.4120 61.6765 62.8723 176.4789 22 Q 3.9849 8.2615 121.4475 58.6198 28.3469 178.6335 23 A 4.0701 8.2392 121.8603 54.9263 18.3839 179.7463 24 L 3.9369 8.2655 117.6866 57.8303 41.6973 179.4589 25 A 4.0211 8.1450 120.7454 55.5309 18.1976 179.9079 26 T 3.9339 8.0817 114.3540 66.7650 68.3279 177.3855 27 G 3.5552 8.2513 106.8320 47.2680 0.0000 175.0403 28 L 4.3089 8.4154 119.0950 53.5778 43.4243 176.5758 29 R 3.8870 7.3453 116.8788 57.3865 27.6435 175.2747 30 L 4.9733 7.8672 115.9854 51.9752 46.1827 176.8311 31 P 4.4945 0.0000 0.0000 62.6400 32.8275 175.0133 32 L 5.0838 8.4223 123.9070 53.3066 44.6488 175.3153 33 L 4.6778 8.8427 126.8637 53.0862 43.6945 175.8842 34 S 4.6800 8.1864 118.6672 55.8152 64.7823 174.1829 35 K 3.5593 8.5165 129.1540 59.9301 31.9644 178.9380 36 D 4.3374 7.9450 118.1847 57.1219 40.6622 178.5446 37 A 4.0698 7.9133 121.0818 55.1919 18.1728 179.7065 38 F 4.1334 8.2724 115.3989 60.6128 39.0183 177.6686 39 K 3.7121 8.1417 117.5557 59.4462 32.0069 178.9422 40 E 4.1668 8.1744 118.8341 59.0620 29.2769 179.7424 41 V 3.8722 7.3555 114.2672 63.9284 31.1911 177.4027 *43 F 5.5932 7.8822 117.1224 57.6078 40.7060 177.2085 44 D 4.5681 8.6318 119.5185 56.9454 40.8361 177.8871 45 G 3.8673 8.2370 107.4143 46.9508 0.0000 174.3781 46 L 4.4691 8.3555 117.2018 53.9854 43.7403 176.7794 47 G 3.9745 9.6847 105.3642 44.6155 0.0000 171.5997 48 W 5.5999 7.3937 114.6814 55.4634 30.7356 173.0437 49 S 4.6159 8.3367 113.9195 57.8360 69.9443 175.8793 50 D 5.1461 8.1672 121.7771 50.6757 43.2079 177.4956 51 R 4.0334 8.6332 119.2065 61.6134 29.2040 174.2047 52 E 4.1859 8.3519 119.3682 59.0475 29.7012 178.6560 53 W 4.3725 8.8346 128.3668 60.6069 30.6176 177.6990 54 S 4.3522 8.5275 113.1861 61.7087 61.7069 176.4227 55 R 3.9214 8.3702 120.9014 59.1806 29.8099 179.0579 56 R 3.7486 8.0365 118.4841 59.3922 30.1190 178.7187 57 V 3.2457 7.6907 118.5281 65.6296 31.3774 178.1566 58 G 3.4963 8.2648 105.6344 47.7856 0.0000 175.4986 59 A 4.0204 7.9178 122.4810 55.1250 18.4280 179.6226 60 T 3.9476 7.6664 113.1874 66.6123 68.6018 176.5459 61 A 4.3334 8.2338 122.0542 54.5145 19.9755 179.2653 62 I 3.8663 7.5329 119.5835 61.6268 33.6296 176.3135 *65 L 4.0691 7.7539 123.0663 54.7712 44.0137 179.2706 66 Y 4.0910 7.8254 115.7870 60.9256 37.8069 177.8923 67 H 4.1695 8.3199 118.9281 59.7464 30.2743 177.4074 68 T 4.0203 8.0384 116.8519 66.3796 68.3345 176.3882 69 A 3.9495 8.4420 123.0191 55.1151 18.2872 179.3353 70 A 3.9652 7.9654 119.1111 55.8890 18.2668 179.8997 71 T 3.9445 7.2634 108.7341 65.0972 67.5828 176.3895 72 I 3.8722 7.6802 121.5455 64.4651 37.1352 178.4413 73 L 4.3151 8.1813 121.4980 57.3896 41.1967 179.6234 74 Q 4.0445 8.2134 117.5132 58.3142 28.7069 177.9431 75 S 4.4482 7.6351 113.1078 58.6877 63.5036 175.0894 76 G 3.8905 8.1671 111.2946 45.3818 0.0000 172.8575 77 Q 4.4999 7.4044 121.1076 54.8507 30.6356 175.4868 78 S 4.9086 8.5979 121.7173 58.5986 64.3470 172.8330 79 L 4.4986 8.3735 120.1799 55.4433 44.2622 173.9090 80 I 5.2689 8.2228 120.3191 58.5522 41.1682 173.8152 *82 E 4.8375 8.3859 121.8493 57.0672 30.8557 174.9736 83 S 4.4037 7.8823 119.4084 57.3418 65.9231 174.3483 84 N 5.3918 7.9350 121.1419 50.5170 34.9492 174.9111 85 F 4.4473 8.3100 123.1384 58.3503 40.3175 175.2295 86 R 4.6688 9.2229 123.3145 54.1708 32.0188 177.6443 87 V 3.6712 8.5610 122.9343 65.9633 31.6994 177.4047 88 D 4.6540 8.0672 117.2822 54.9044 39.6761 176.6245 89 L 4.6150 7.8470 118.3340 56.0575 44.2751 178.0652 90 D 4.5604 8.5422 117.3274 56.7033 41.3619 178.0506 91 T 4.0182 7.5642 114.4498 66.6538 68.7481 175.3289 92 E 4.3406 8.1159 121.0184 58.8323 29.9433 179.6238 93 R 3.8946 7.5138 115.8473 56.5527 29.0873 178.6280 *95 Q 4.2848 8.2738 118.5839 56.2265 30.6930 177.5563 96 N 4.3590 8.4997 115.5986 56.1161 38.3785 177.1743 97 L 4.1401 8.3079 122.0821 58.6226 42.0241 178.5613 98 H 4.1779 8.4425 116.3886 59.5442 29.8128 176.2521 99 T 4.0135 7.7427 116.6908 65.9306 68.3782 175.0680 100 I 4.2249 7.3320 110.8900 61.3114 38.6392 176.3573 101 A 4.6486 8.1465 123.9119 49.6806 19.8515 173.0528 102 P 3.7858 0.0000 0.0000 62.7806 32.2091 175.7792 103 F 5.1770 7.2842 115.3746 56.0479 41.4911 173.4629 104 T 4.7191 8.9987 116.9779 61.2296 70.2725 172.2628 105 P 5.1164 0.0000 0.0000 62.5889 32.9049 175.7439 106 I 4.6559 8.7491 122.8375 59.5815 40.9548 174.0084 107 Q 5.1824 9.2880 127.9229 54.2924 32.2190 174.0063 108 I 4.9909 9.0824 126.5419 59.4851 40.8429 174.1455 109 R 4.9380 9.0255 128.0063 54.7995 32.1093 174.3082 110 C 5.1078 8.9875 124.8721 58.8130 29.7747 173.5190 111 V 4.6742 8.5543 114.6777 60.2439 36.1709 173.9165 112 A 4.9744 8.1519 121.7240 50.9160 22.0150 176.5746 113 S 4.1715 8.7157 114.7699 58.0356 63.9741 175.8732 114 G 3.9692 8.7182 110.6169 47.6199 0.0000 175.6028 115 D 4.3486 8.0111 120.8030 57.1254 40.8940 178.9793 116 V 3.8046 7.3053 119.5760 65.4117 31.5177 178.0283 117 L 3.9395 8.0245 118.8241 57.6802 41.4089 179.6253 118 V 3.5479 7.8527 118.0932 66.0231 31.1802 177.6455 119 E 3.9332 7.9677 118.0308 59.7875 29.2811 179.8265 120 R 3.9887 7.9589 117.7200 59.1643 30.1220 179.2391 121 I 3.6673 7.8117 119.5658 64.3481 37.0990 178.5026 122 L 3.9606 8.0071 119.8297 57.8181 41.3996 179.5679 123 S 4.0584 8.1152 112.9828 61.5419 62.2978 176.4415 124 R 3.9045 8.3170 121.1167 59.1058 29.8187 179.1813 125 I 3.6168 7.8471 119.3912 64.2651 36.9568 178.1502 126 A 3.9505 7.8046 121.1873 55.5856 18.1854 178.7070 127 Q 4.1089 8.1268 111.3280 56.3856 28.7992 177.3567 128 G 3.8693 8.0233 105.8592 45.4492 0.0000 174.6959 129 A 4.0223 7.9042 123.1397 54.7015 18.5893 178.5629 130 R 4.1611 7.9184 116.5422 55.3420 30.6742 175.6380 131 H 4.0608 8.9211 125.4345 55.7228 30.6353 174.1120 132 P 3.9682 0.0000 0.0000 65.6274 30.6874 178.8287 133 G 2.1016 6.9404 104.0604 47.2387 0.0000 174.8140 134 H 4.3518 7.1275 118.9024 56.0781 29.3381 175.1046 135 C 3.9094 7.6877 116.5354 60.5979 25.8831 173.5983 136 D 4.3826 8.0497 120.6998 55.0664 41.3122 176.9449 137 D 4.7575 8.5928 123.2811 52.4458 40.6711 174.1506 138 R 4.7127 8.2643 122.0663 54.6240 30.2747 176.9302 139 S 4.3611 7.9998 112.9458 58.6198 65.1436 171.8127 140 P 4.2201 0.0000 0.0000 65.9423 30.9732 178.8425 141 A 3.9778 7.9188 118.9536 55.1410 18.3911 179.2357 142 D 4.2790 7.8372 117.4140 57.6060 40.8684 179.1004 143 L 4.0150 7.9623 119.5144 57.5951 41.5840 179.1180 144 E 3.9257 8.4368 119.6232 58.9926 29.5521 178.6372 145 L 3.8668 8.0908 120.5064 58.1125 41.9772 178.9498 146 V 3.4993 7.4902 116.7311 66.2563 31.8114 177.8047 147 R 4.0260 8.5479 118.7204 58.2866 29.5977 177.5250 148 S 4.6898 7.9834 112.4979 58.3248 64.1935 175.8805 149 R 3.9726 7.9631 119.0387 58.0054 29.6840 177.7156 150 G 3.8591 7.5129 108.8968 44.7192 0.0000 172.7285 151 D 4.6186 8.3501 117.9028 53.3869 41.6908 176.2911 152 I 3.6924 7.9742 122.7324 60.0662 38.5883 174.0643 153 P 4.3372 0.0000 0.0000 61.8423 31.6830 174.6971 154 P 4.5588 0.0000 0.0000 61.9450 32.2756 175.8158 155 L 4.2022 8.7172 120.4268 54.1227 42.2172 177.0012 156 P 4.5988 0.0000 0.0000 61.7728 29.6670 175.6854 157 L 4.3412 7.8027 121.0362 54.4420 43.2415 177.8653 158 G 3.7026 8.2854 107.5697 45.1525 0.0000 173.3248 159 G 3.9219 8.4877 106.2361 43.7649 0.0000 171.2710 160 P 4.5696 0.0000 0.0000 62.7250 32.4458 175.8126 161 L 5.3728 8.5779 123.8651 53.4914 45.4240 174.9370 162 L 4.4377 8.6304 127.2587 53.3927 45.1144 174.8309 163 T 4.9389 8.3495 122.4377 61.9115 70.5535 173.9771 164 V 4.2300 8.8284 126.4172 61.0311 34.1878 173.6054 165 D 5.1420 8.7688 128.5311 53.4066 41.7503 175.5978 166 T 4.4361 8.6442 116.1763 61.9308 69.0522 175.6671 167 T 3.6758 8.2342 121.1052 66.3876 68.6100 174.0931 168 F 4.8006 7.5640 120.3835 54.3228 39.6000 173.4597 169 P 4.2863 0.0000 0.0000 65.1547 31.5691 178.7755 170 E 4.0446 8.2945 115.0484 59.0653 29.3685 177.7158 171 Q 4.2402 8.1790 116.6231 56.4823 29.2619 175.5973 172 I 4.1249 7.5173 120.1784 60.1586 37.7787 175.2046 173 D 4.6344 8.3007 124.4853 52.7742 43.2867 176.0040 *175 N 4.6761 8.4708 117.9409 53.4514 40.7542 175.9531 176 A 4.1440 8.2584 119.8622 55.2428 18.3030 179.7616 177 I 3.7982 7.5417 117.1740 64.3671 37.1903 178.7207 178 V 3.6475 7.8220 118.6381 66.3085 31.3803 177.9489 179 Q 4.0579 8.6129 118.1578 58.5312 28.2647 178.5729 180 W 4.1190 8.2105 128.6659 60.5320 31.1021 177.7131 181 V 3.4522 8.0635 118.1081 66.1466 30.9657 178.0446 182 R 3.8646 7.9872 117.6421 59.3845 29.7122 178.7269 183 Q 3.9276 8.0327 118.1068 58.4256 28.9973 176.5211 184 H 4.5553 7.3331 114.0954 55.1405 29.9611 174.5168 185 L 4.0592 7.5377 122.9897 55.2217 42.0457 177.7525 186 Q 4.2387 8.5345 120.3680 55.0678 28.4846 172.9814 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 Q 8.34 4.33 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 3 T 8.26 4.02 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 1.25 0.00 0.00 4 P 0.00 4.65 0.00 2.22 2.27 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 5 A 8.81 4.93 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 6 L 8.85 4.66 0.00 1.33 1.17 0.67 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.70 4.73 1.86 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 1.24 1.02 0.96 0.00 0.00 8 I 8.79 4.38 1.75 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 0.68 0.17 0.47 0.00 0.00 9 V 8.49 4.79 2.12 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 0.98 0.00 0.00 0.96 0.00 0.00 10 T 9.64 5.98 4.50 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 1.28 0.00 0.00 11 G 8.29 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 12 H 7.86 4.39 0.00 3.19 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.09 0.00 2.00 1.96 0.00 3.77 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 2.01 2.07 0.00 14 A 8.81 3.75 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 15 T 7.54 3.91 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 1.24 0.00 0.00 16 G 7.82 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 0.00 0.00 0.00 17 K 8.03 3.92 0.00 1.98 2.07 0.00 1.55 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.49 7.81 18 T 7.80 3.81 4.22 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 1.20 0.00 0.00 19 T 7.78 3.86 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 1.21 0.00 0.00 20 L 8.10 3.96 0.00 1.79 1.71 0.90 0.81 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 21 S 8.33 4.12 0.00 4.07 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 0.00 22 Q 8.26 3.98 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 23 A 8.24 4.07 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 24 L 8.27 3.94 0.00 1.90 1.76 0.97 0.83 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 25 A 8.15 4.02 1.41 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 26 T 8.08 3.93 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 1.22 0.00 0.00 27 G 8.25 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.31 0.00 1.65 1.73 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.35 3.89 0.00 2.06 1.96 0.00 3.11 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 30 L 7.87 4.97 0.00 1.50 1.51 0.92 1.05 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 31 P 0.00 4.49 0.00 2.08 1.98 0.00 3.70 0.00 0.00 3.70 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 32 L 8.42 5.08 0.00 1.58 1.52 0.90 0.92 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 33 L 8.84 4.68 0.00 1.31 1.17 0.88 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.19 4.68 0.00 3.75 3.66 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 35 K 8.52 3.56 0.00 1.54 1.55 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.32 7.81 36 D 7.95 4.34 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 37 A 7.91 4.07 1.46 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 0.00 0.00 38 F 8.27 4.13 0.00 2.95 3.04 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 39 K 8.14 3.71 0.00 1.76 1.25 0.00 1.64 0.00 0.00 1.92 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.22 1.55 7.81 40 E 8.17 4.17 0.00 2.22 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 0.00 2.41 2.56 0.00 41 V 7.36 3.87 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 0.96 0.00 0.00 0.89 0.00 0.00 *43 F 7.88 5.59 0.00 3.17 3.12 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 44 D 8.63 4.57 0.00 2.88 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 45 G 8.24 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 46 L 8.36 4.47 0.00 2.01 1.99 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 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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 66 Y 7.83 4.09 0.00 3.10 3.02 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 67 H 8.32 4.17 0.00 3.33 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.04 4.02 4.39 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 1.31 0.00 0.00 69 A 8.44 3.95 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 70 A 7.97 3.97 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 71 T 7.26 3.94 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 1.24 0.00 0.00 72 I 7.68 3.87 1.87 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 1.53 1.25 0.96 0.00 0.00 73 L 8.18 4.32 0.00 1.71 1.79 0.94 0.86 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 74 Q 8.21 4.04 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 75 S 7.64 4.45 0.00 4.00 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 76 G 8.17 3.89 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 0.00 0.00 0.00 77 Q 7.40 4.50 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 78 S 8.60 4.91 0.00 3.79 3.84 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 79 L 8.37 4.50 0.00 1.86 1.70 0.82 0.67 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 80 I 8.22 5.27 1.86 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 1.10 1.82 0.96 0.00 0.00 *82 E 8.39 4.84 0.00 2.02 1.79 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 2.36 2.23 0.00 83 S 7.88 4.40 0.00 3.06 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 84 N 7.93 5.39 0.00 2.72 2.88 0.00 0.00 6.43 7.43 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 85 F 8.31 4.45 0.00 3.02 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 86 R 9.22 4.67 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 87 V 8.56 3.67 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 1.03 0.00 0.00 0.96 0.00 0.00 88 D 8.07 4.65 0.00 2.84 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 89 L 7.85 4.61 0.00 1.72 1.70 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.54 4.56 0.00 2.98 2.92 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 91 T 7.56 4.02 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.55 0.65 0.93 0.00 0.00 101 A 8.15 4.65 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 0.00 102 P 0.00 3.79 0.00 1.94 1.77 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 103 F 7.28 5.18 0.00 2.95 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 0.00 104 T 9.00 4.72 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 1.23 0.00 0.00 105 P 0.00 5.12 0.00 2.16 2.31 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 106 I 8.75 4.66 1.87 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 1.00 0.68 0.86 0.00 0.00 107 Q 9.29 5.18 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 108 I 9.08 4.99 1.91 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 1.09 0.89 0.90 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.16 0.87 0.00 0.00 126 A 7.80 3.95 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 0.00 127 Q 8.13 4.11 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 128 G 8.02 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 0.00 129 A 7.90 4.02 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 0.00 130 R 7.92 4.16 0.00 1.73 1.90 0.00 3.26 0.00 0.00 3.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.57 0.00 131 H 8.92 4.06 0.00 3.40 3.15 0.00 5.73 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 0.00 132 P 0.00 3.97 0.00 1.09 1.94 0.00 3.15 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 133 G 6.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 7.13 4.35 0.00 3.12 3.36 0.00 5.78 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 C 7.69 3.91 0.00 3.17 3.02 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 0.00 136 D 8.05 4.38 0.00 2.63 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 0.00 137 D 8.59 4.76 0.00 2.69 2.46 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 0.00 138 R 8.26 4.71 0.00 1.85 1.98 0.00 2.99 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 139 S 8.00 4.36 0.00 4.07 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 0.00 140 P 0.00 4.22 0.00 2.17 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 141 A 7.92 3.98 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 0.00 142 D 7.84 4.28 0.00 2.84 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 0.00 143 L 7.96 4.01 0.00 1.69 1.69 0.91 0.84 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 0.00 144 E 8.44 3.93 0.00 2.11 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 0.00 2.30 2.35 0.00 145 L 8.09 3.87 0.00 1.85 1.81 0.90 0.73 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 0.00 146 V 7.49 3.50 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 0.81 0.00 0.00 0.94 0.00 0.00 147 R 8.55 4.03 0.00 2.00 2.00 0.00 3.08 0.00 0.00 3.38 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 148 S 7.98 4.69 0.00 4.07 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 0.00 149 R 7.96 3.97 0.00 1.98 2.14 0.00 2.92 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 150 G 7.51 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 0.00 151 D 8.35 4.62 0.00 2.68 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 0.00 152 I 7.97 3.69 1.49 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.56 0.87 0.00 0.00 153 P 0.00 4.34 0.00 2.09 1.98 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 154 P 0.00 4.56 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 155 L 8.72 4.20 0.00 1.57 1.61 0.59 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 156 P 0.00 4.60 0.00 2.18 2.09 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 157 L 7.80 4.34 0.00 1.67 1.81 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.29 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 0.00 159 G 8.49 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 0.00 160 P 0.00 4.57 0.00 1.97 1.71 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 1.88 1.93 0.00 161 L 8.58 5.37 0.00 1.62 1.52 0.97 0.87 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 0.00 162 L 8.63 4.44 0.00 0.27 0.55 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.35 4.94 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 1.22 0.00 0.00 164 V 8.83 4.23 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 0.90 0.00 0.00 0.80 0.00 0.00 165 D 8.77 5.14 0.00 2.71 2.57 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 0.00 166 T 8.64 4.44 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 1.21 0.00 0.00 167 T 8.23 3.68 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 0.28 0.00 0.00 168 F 7.56 4.80 0.00 3.05 3.08 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 0.00 169 P 0.00 4.29 0.00 2.19 2.11 0.00 3.65 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 2.12 2.16 0.00 170 E 8.29 4.04 0.00 2.09 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 0.00 2.32 2.31 0.00 171 Q 8.18 4.24 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 172 I 7.52 4.12 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 1.21 0.78 0.91 0.00 0.00 173 D 8.30 4.63 0.00 2.67 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 *175 N 8.47 4.68 0.00 2.88 3.00 0.00 0.00 6.75 8.43 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 0.00 176 A 8.26 4.14 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 0.00 0.00 0.00 0.00 0.00 177 I 7.54 3.80 1.91 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 1.35 0.52 0.96 0.00 0.00 178 V 7.82 3.65 2.28 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 1.10 0.00 0.00 0.97 0.00 0.00 179 Q 8.61 4.06 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 180 W 8.21 4.12 0.00 3.41 3.52 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 0.00 181 V 8.06 3.45 2.28 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 0.97 0.00 0.00 1.27 0.00 0.00 182 R 7.99 3.86 0.00 2.08 1.94 0.00 3.38 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 183 Q 8.03 3.93 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 184 H 7.33 4.56 0.00 2.75 2.99 0.00 5.71 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 0.00 185 L 7.54 4.06 0.00 1.59 1.56 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.53 4.24 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.65 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 * Residues marked with a * may have inaccurate shift predictions.