NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4754 8.3349 115.4169 57.6252 64.3709 173.5392 29 L 4.0002 8.3923 124.1059 53.5292 42.2242 174.7644 30 P 4.5238 0.0000 0.0000 62.9118 32.8563 175.4036 31 K 4.8721 8.2463 119.9214 57.2061 35.5108 174.1218 32 F 4.8066 7.9728 110.7521 56.4004 41.0645 173.2702 33 E 5.1134 9.0578 121.1712 54.1078 32.6659 176.1874 34 I 4.4103 7.8474 121.0497 59.5894 37.9311 175.0303 35 H 4.2595 8.6150 122.4405 56.0623 30.0288 174.9135 36 D 4.7125 8.3435 114.7855 54.4013 42.6650 174.4917 37 V 4.6108 8.1745 115.0674 59.9181 33.3791 175.5048 38 R 4.7735 9.4469 121.7547 54.5400 34.2099 175.2049 39 D 4.4509 8.7400 117.7278 56.9090 41.2796 176.9462 40 D 4.8067 7.5192 119.6419 51.9439 40.3769 175.1780 41 P 4.4841 0.0000 0.0000 64.5818 32.1459 176.8287 42 A 4.6170 8.4531 121.3035 52.1036 18.5288 177.8093 43 E 4.7044 7.9941 114.5461 57.4909 33.3689 176.0339 44 G 4.5511 7.6836 105.9975 46.9779 0.0000 173.2287 45 T 5.3510 8.0131 109.2743 62.4256 71.5753 171.6318 *47 T 4.1407 8.0024 117.3456 64.0684 70.7279 173.3920 48 R 4.3106 7.8567 116.8373 56.0257 33.7554 173.4530 49 V 4.1110 7.3333 127.5482 62.0523 33.4772 174.6182 50 A 5.4610 8.1708 125.5504 52.6401 23.4441 175.1665 51 V 5.3989 8.0400 115.0720 62.2814 34.0788 172.4664 52 D 4.6506 8.6250 124.1177 52.7508 42.7694 174.7719 53 G 4.1368 8.5647 116.7080 45.8837 0.0000 173.0166 54 K 4.6716 8.0181 112.4416 55.1576 36.1486 175.8103 55 L 4.8076 8.3063 121.9736 52.8153 44.0515 175.7836 56 L 4.5768 8.4645 125.1221 54.5835 41.5635 176.6115 57 L 5.3189 8.8199 125.2549 52.7848 41.9802 174.6892 58 I 4.3133 8.1066 122.5280 61.1214 39.0990 175.3475 59 S 4.6293 8.5857 120.1013 57.6859 66.4785 173.8966 60 Q 4.8077 8.6845 126.5379 54.7528 32.1089 173.6334 61 Y 4.9383 8.0311 118.3963 55.7868 42.1403 173.2905 62 P 4.9385 0.0000 0.0000 61.9480 33.1794 175.5033 63 Q 4.4190 8.8800 124.3410 56.4288 29.8193 175.2035 64 L 4.2704 8.2792 129.1785 54.2435 42.7275 177.3688 65 G 3.8670 8.5607 117.5950 44.1744 0.0000 169.9412 66 P 4.5061 0.0000 0.0000 61.4599 32.1320 176.4595 67 R 3.9164 8.2107 118.8691 55.9728 30.2988 177.3615 68 K 3.9550 8.2201 122.8562 56.9535 32.6336 176.8703 69 V 3.8829 8.2931 122.7025 64.4836 32.6434 175.3995 70 D 4.4266 7.8398 120.7697 53.2997 40.6763 174.6031 71 P 4.3740 0.0000 0.0000 64.3466 31.4914 176.5355 72 N 4.8673 7.5228 113.8104 52.8332 40.2574 174.8613 73 D 4.5079 8.3245 118.5392 54.9317 39.5634 176.1551 74 L 4.4074 7.8884 130.8929 53.2445 40.6410 175.0034 75 S 4.7892 7.4570 112.9474 54.8994 66.3689 172.8002 76 P 4.2884 0.0000 0.0000 63.0268 31.4714 176.2190 77 Q 3.9154 8.6828 124.0506 57.0877 29.5620 175.0202 78 F 5.1540 7.7269 114.1481 55.5154 42.5562 174.8152 79 D 4.6407 8.8283 123.2752 52.7534 39.3805 176.8644 80 A 4.5346 8.5234 121.7344 53.1010 18.3887 177.9018 81 D 4.7749 8.0167 117.1657 55.1500 42.3961 177.1161 82 R 4.5581 8.1570 119.2002 55.7464 30.5990 175.8071 83 R 4.1506 7.6426 112.0923 55.0294 31.7469 174.6020 84 I 4.3547 7.6290 120.8423 59.5971 39.5863 175.0800 85 S 4.5004 8.1103 121.0383 57.0313 64.0732 173.0073 86 V 4.2035 8.1027 121.0662 59.8137 33.5385 175.2053 87 R 4.8337 8.5467 123.7187 54.6500 32.2397 174.8631 88 L 4.9190 8.3991 125.2297 52.9437 44.6452 176.4743 89 R 4.2788 8.6339 119.0347 55.9111 31.2558 177.3978 90 H 4.3712 9.3696 122.2336 58.9344 29.8133 177.9256 91 V 3.7212 7.8426 119.3490 64.2448 31.1215 177.6333 92 D 4.4871 8.4587 120.8523 57.1338 40.4622 178.0990 93 L 3.8380 7.8511 120.6843 57.9630 41.9136 178.7374 94 A 3.9364 7.6574 120.6427 55.0980 18.4509 178.6863 95 Y 4.0898 7.8657 114.4647 61.2013 37.9110 179.5580 96 L 3.7922 7.9668 119.7012 57.8451 41.7202 179.4538 97 V 3.6244 7.4300 118.0118 65.9164 31.2299 178.3336 98 G 3.5646 8.4889 105.7808 47.8840 0.0000 175.7102 99 V 4.0672 8.0543 123.0740 65.2390 31.4022 177.6562 100 C 4.6410 8.2659 117.6552 62.3549 27.8527 176.0058 101 K 4.3080 8.1201 115.5343 56.4878 31.4634 176.6804 102 E 4.2363 8.0826 116.9206 56.3378 29.1850 175.9546 103 R 4.4858 8.1280 126.2366 55.7913 28.4743 181.0272 104 V 3.7920 9.0495 126.2434 62.4885 31.6356 175.1367 105 P 4.3929 0.0000 0.0000 64.9526 31.5608 176.7011 106 R 4.7722 7.6023 112.5224 55.0992 32.5155 172.9621 107 H 4.7341 8.9903 123.7710 55.1539 31.6228 173.9666 108 R 5.3685 7.8262 125.8768 53.6516 33.3320 174.0065 *110 E 4.0503 8.6332 118.1663 56.5928 29.9072 175.2771 111 T 4.5230 8.0672 113.5708 59.0836 71.6931 175.0120 112 K 4.0553 8.3974 122.5432 58.2233 32.5430 177.6911 113 A 4.2288 7.1434 119.8642 55.2187 19.0904 176.1150 114 Y 4.7949 7.2303 112.4023 57.1225 42.1346 173.5385 115 T 5.0680 9.5858 116.0351 62.2881 73.0385 173.6123 116 L 5.2277 8.5566 124.0008 53.7926 46.9896 173.9817 117 D 5.3103 9.1751 121.0334 52.6247 44.7288 174.6393 118 F 4.9962 9.6989 126.6544 56.3648 41.1565 173.2393 119 E 4.8153 8.2909 124.1442 53.7458 32.7090 176.0332 120 K 4.4116 8.6116 123.2229 57.3997 32.1929 174.2157 121 S 4.3408 8.0215 113.6692 57.4814 65.2280 174.6129 122 A 3.8225 8.3164 123.7621 55.5973 18.2671 178.9830 123 Q 4.2616 7.9228 113.0772 56.8295 31.5296 177.9793 124 G 3.9734 7.2430 110.2050 45.9432 0.0000 174.7874 125 Y 4.9114 6.0799 118.6264 56.4133 43.4337 173.9087 126 H 5.0603 8.8215 121.6818 54.5287 33.3427 171.6067 127 L 5.1149 8.6754 128.9999 53.8619 43.8237 174.8197 128 H 5.0701 8.2992 120.2421 53.3932 32.6982 174.0604 129 G 4.5805 7.2723 110.2408 44.8325 0.0000 175.5924 130 K 5.2532 9.6271 125.5706 54.8838 36.0948 174.8248 131 V 4.5069 8.3870 115.7837 61.6162 35.5082 173.6440 132 H 4.7570 8.2086 115.4237 55.5624 30.9381 174.4091 133 R 4.1663 8.5989 121.4214 55.5656 30.8265 176.4323 134 V 3.6126 8.2298 114.2335 62.8158 31.8844 177.1403 135 A 3.8426 8.8244 125.2784 52.0488 16.8571 177.6770 136 S 4.8194 7.4305 109.2961 56.4661 64.7073 173.6014 137 Q 4.4937 8.2576 121.5644 55.9644 30.9629 179.1158 138 R 4.2310 7.5469 118.8726 55.3815 29.9732 175.5635 *140 E 4.3280 8.5559 120.0580 57.0444 31.5233 175.2297 141 D 5.7630 8.6844 121.6843 52.6921 40.4212 175.2220 142 W 5.0749 8.9971 132.8543 55.5203 34.3087 173.6975 143 S 4.4961 8.0014 119.4865 56.6849 65.2033 173.2586 144 V 4.2297 8.0220 118.5654 59.4079 35.7427 174.6047 145 K 4.9606 8.1623 121.6320 54.5563 36.1342 175.6943 146 F 4.8516 9.4412 120.4255 56.0861 42.0921 173.9272 147 D 5.3270 8.7236 123.0158 53.8168 44.4909 175.4385 148 N 4.0748 9.5281 121.1880 54.4835 38.5815 175.5112 149 H 3.8475 9.5786 127.1482 60.5509 29.9142 174.6211 150 F 4.7534 8.1261 117.2888 59.5057 38.9785 177.5420 151 A 4.4290 7.9924 120.8667 54.8976 18.2950 179.6762 152 V 3.9611 8.1305 118.4403 66.0349 31.6625 178.1698 153 T 3.7087 7.6722 115.3775 66.5679 68.0492 175.9525 154 L 3.9770 7.5825 120.3224 59.1805 42.2900 178.1783 155 E 3.6298 8.5152 116.3008 60.4182 29.3040 178.9222 156 H 4.0275 8.8906 115.5725 59.5635 29.0965 177.6751 157 F 4.0071 8.6962 122.2127 61.0774 39.0709 177.1426 158 L 4.0693 8.3161 119.2616 57.4123 41.5263 179.1871 159 E 3.9001 7.9883 118.0657 59.6056 29.7951 179.3382 160 S 4.2103 8.7845 114.6068 60.4393 62.6624 176.5253 161 A 3.8405 7.3079 124.2446 54.8347 18.3669 179.1755 162 L 3.6716 7.7099 117.4404 58.4357 42.0188 178.7837 163 D 4.6399 7.7569 118.0812 57.3548 41.1927 178.1049 164 E 4.1453 7.9063 118.1932 59.2982 29.3297 179.5431 165 S 4.6413 7.6707 114.7966 60.4060 62.8123 176.6993 166 F 4.3379 7.7289 121.5811 61.1186 39.3458 175.6141 167 G 3.6472 8.4955 113.1824 45.8052 0.0000 174.9787 168 F 4.4814 7.9258 120.5093 60.9573 39.0572 177.6660 169 R 4.0435 8.4242 119.8318 59.5975 30.2141 178.2543 170 Q 3.9383 8.3339 115.3824 59.2084 30.2132 176.9923 171 H 3.5463 8.4499 109.1073 59.8390 28.5991 175.4100 172 Y 4.1189 5.3700 113.1791 61.6579 38.9954 176.6894 173 A 4.2525 7.8503 126.3224 52.5256 18.4762 177.1464 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 28 S 8.33 4.48 0.00 4.03 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 29 L 8.39 4.00 0.00 1.79 1.91 0.94 0.87 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 30 P 0.00 4.52 0.00 2.19 2.03 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 2.10 2.10 0.00 31 K 8.25 4.87 0.00 1.80 1.86 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.50 7.81 32 F 7.97 4.81 0.00 3.03 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 33 E 9.06 5.11 0.00 1.91 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 2.23 2.13 0.00 34 I 7.85 4.41 1.52 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.36 0.23 0.00 0.00 35 H 8.61 4.26 0.00 3.06 3.36 0.00 5.75 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 36 D 8.34 4.71 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 4.61 2.06 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 0.91 0.00 0.00 0.97 0.00 0.00 38 R 9.45 4.77 0.00 1.71 1.82 0.00 3.18 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 39 D 8.74 4.45 0.00 2.67 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 40 D 7.52 4.81 0.00 2.65 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 0.00 41 P 0.00 4.48 0.00 2.22 2.19 0.00 3.64 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 2.10 2.12 0.00 42 A 8.45 4.62 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 43 E 7.99 4.70 0.00 1.93 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 2.23 2.43 0.00 44 G 7.68 4.55 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 0.00 0.00 0.00 45 T 8.01 5.35 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 1.46 0.00 0.00 *47 T 8.00 4.14 4.09 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 1.23 0.00 0.00 48 R 7.86 4.31 0.00 1.84 1.87 0.00 3.07 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.37 0.00 49 V 7.33 4.11 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 0.00 0.00 0.67 0.00 0.00 0.52 0.00 0.00 50 A 8.17 5.46 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 51 V 8.04 5.40 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 0.64 0.00 0.00 0.88 0.00 0.00 52 D 8.63 4.65 0.00 2.66 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 53 G 8.56 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 54 K 8.02 4.67 0.00 1.63 1.83 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.33 7.81 55 L 8.31 4.81 0.00 1.63 1.58 0.92 0.57 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 56 L 8.46 4.58 0.00 1.58 1.57 0.83 0.73 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 57 L 8.82 5.32 0.00 1.52 1.55 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.11 4.31 1.82 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 1.24 1.21 1.14 0.00 0.00 59 S 8.59 4.63 0.00 3.64 3.80 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 60 Q 8.68 4.81 0.00 2.38 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 61 Y 8.03 4.94 0.00 2.60 2.79 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 62 P 0.00 4.94 0.00 2.15 2.03 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 63 Q 8.88 4.42 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.88 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 64 L 8.28 4.27 0.00 1.77 1.65 0.92 1.11 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 65 G 8.56 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 66 P 0.00 4.51 0.00 2.02 1.99 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 67 R 8.21 3.92 0.00 1.77 1.84 0.00 3.21 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 68 K 8.22 3.96 0.00 1.69 1.72 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 69 V 8.29 3.88 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 0.77 0.00 0.00 0.99 0.00 0.00 70 D 7.84 4.43 0.00 2.78 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 71 P 0.00 4.37 0.00 2.08 2.10 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 72 N 7.52 4.87 0.00 2.78 2.81 0.00 0.00 6.86 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.32 4.51 0.00 2.63 2.64 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 0.00 0.00 0.00 0.00 74 L 7.89 4.41 0.00 1.67 1.62 0.92 0.90 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 75 S 7.46 4.79 0.00 4.04 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 76 P 0.00 4.29 0.00 2.20 2.12 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 77 Q 8.68 3.92 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.81 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 78 F 7.73 5.15 0.00 2.96 3.10 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 79 D 8.83 4.64 0.00 2.81 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 80 A 8.52 4.53 1.50 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 81 D 8.02 4.77 0.00 2.99 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 82 R 8.16 4.56 0.00 1.90 1.89 0.00 3.27 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 83 R 7.64 4.15 0.00 1.25 1.38 0.00 2.81 0.00 0.00 2.99 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.62 0.00 84 I 7.63 4.35 1.28 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.45 0.06 0.00 0.00 85 S 8.11 4.50 0.00 3.60 3.55 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 86 V 8.10 4.20 1.28 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 0.29 0.00 0.00 0.69 0.00 0.00 87 R 8.55 4.83 0.00 1.78 1.82 0.00 3.23 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 88 L 8.40 4.92 0.00 1.56 1.58 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.63 4.28 0.00 2.11 1.89 0.00 3.19 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 90 H 9.37 4.37 0.00 3.21 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.84 3.72 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 0.87 0.00 0.00 1.04 0.00 0.00 92 D 8.46 4.49 0.00 2.89 2.79 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 93 L 7.85 3.84 0.00 1.68 1.72 0.83 1.02 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 94 A 7.66 3.94 1.18 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 0.00 0.00 95 Y 7.87 4.09 0.00 2.87 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 96 L 7.97 3.79 0.00 1.40 1.08 0.16 0.21 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 97 V 7.43 3.62 2.13 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 1.11 0.00 0.00 0.86 0.00 0.00 98 G 8.49 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 99 V 8.05 4.07 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 1.54 0.00 0.00 1.23 0.00 0.00 100 C 8.27 4.64 0.00 3.30 3.03 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 0.00 101 K 8.12 4.31 0.00 1.85 1.87 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.60 7.81 102 E 8.08 4.24 0.00 2.13 2.06 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 2.32 2.48 0.00 103 R 8.13 4.49 0.00 1.96 1.22 0.00 3.35 0.00 0.00 3.29 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 104 V 9.05 3.79 2.27 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 1.06 0.00 0.00 1.08 0.00 0.00 105 P 0.00 4.39 0.00 2.11 2.19 0.00 3.74 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 2.07 2.12 0.00 106 R 7.60 4.77 0.00 1.82 1.91 0.00 3.26 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 107 H 8.99 4.73 0.00 3.34 3.37 0.00 5.73 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 0.00 108 R 7.83 5.37 0.00 1.82 1.73 0.00 3.22 0.00 0.00 3.87 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.81 0.00 *110 E 8.63 4.05 0.00 1.98 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 2.19 2.29 0.00 111 T 8.07 4.52 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 0.66 0.00 0.00 112 K 8.40 4.06 0.00 1.67 1.80 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 113 A 7.14 4.23 1.18 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 0.00 0.00 114 Y 7.23 4.79 0.00 3.10 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 0.00 115 T 9.59 5.07 4.32 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 1.26 0.00 0.00 116 L 8.56 5.23 0.00 1.69 1.60 0.72 1.38 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 0.00 117 D 9.18 5.31 0.00 2.33 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 9.70 5.00 0.00 3.07 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 0.00 119 E 8.29 4.82 0.00 2.01 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 2.16 2.21 0.00 120 K 8.61 4.41 0.00 1.92 1.80 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.00 7.81 121 S 8.02 4.34 0.00 3.82 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 0.00 122 A 8.32 3.82 1.23 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 0.00 0.00 123 Q 7.92 4.26 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 124 G 7.24 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 0.00 0.00 0.00 125 Y 6.08 4.91 0.00 2.95 2.37 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 0.00 126 H 8.82 5.06 0.00 3.09 3.05 0.00 5.57 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.68 5.11 0.00 2.25 1.63 1.25 1.09 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 0.00 128 H 8.30 5.07 0.00 3.24 3.22 0.00 5.55 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 0.00 129 G 7.27 4.58 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 0.00 0.00 0.00 130 K 9.63 5.25 0.00 1.70 1.72 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.46 7.81 131 V 8.39 4.51 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 0.63 0.00 0.00 0.69 0.00 0.00 132 H 8.21 4.76 0.00 3.23 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.60 4.17 0.00 1.86 1.81 0.00 3.20 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 134 V 8.23 3.61 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 0.60 0.00 0.00 0.92 0.00 0.00 135 A 8.82 3.84 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 0.00 136 S 7.43 4.82 0.00 3.75 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 0.00 137 Q 8.26 4.49 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 138 R 7.55 4.23 0.00 1.81 1.78 0.00 3.36 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 *140 E 8.56 4.33 0.00 2.13 2.15 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 2.28 2.39 0.00 141 D 8.68 5.76 0.00 2.78 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 0.00 142 W 9.00 5.07 0.00 3.34 3.03 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 0.00 143 S 8.00 4.50 0.00 3.79 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 0.00 144 V 8.02 4.23 1.56 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 0.12 0.00 0.00 0.54 0.00 0.00 145 K 8.16 4.96 0.00 1.41 1.75 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.49 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.10 1.18 7.81 146 F 9.44 4.85 0.00 3.14 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 0.00 147 D 8.72 5.33 0.00 2.57 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 0.00 148 N 9.53 4.07 0.00 2.90 2.21 0.00 0.00 6.42 8.97 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 0.00 149 H 9.58 3.85 0.00 3.00 2.96 0.00 5.66 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 0.00 150 F 8.13 4.75 0.00 3.40 3.40 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 0.00 151 A 7.99 4.43 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 0.00 152 V 8.13 3.96 2.06 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 1.48 0.00 0.00 1.03 0.00 0.00 153 T 7.67 3.71 3.96 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 0.00 0.00 0.29 0.00 0.00 154 L 7.58 3.98 0.00 1.98 1.79 0.42 0.93 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 0.00 155 E 8.52 3.63 0.00 2.39 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 2.45 2.63 0.00 156 H 8.89 4.03 0.00 3.29 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.70 4.01 0.00 3.11 3.28 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 0.00 158 L 8.32 4.07 0.00 1.86 1.61 0.60 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.99 3.90 0.00 2.09 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 2.29 0.00 160 S 8.78 4.21 0.00 3.72 3.81 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 0.00 161 A 7.31 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 162 L 7.71 3.67 0.00 1.62 1.81 1.00 1.26 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 0.00 163 D 7.76 4.64 0.00 2.82 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 0.00 164 E 7.91 4.15 0.00 2.00 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 2.43 2.43 0.00 165 S 7.67 4.64 0.00 3.78 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 0.00 166 F 7.73 4.34 0.00 3.04 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 0.00 167 G 8.50 3.65 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 0.00 0.00 0.00 168 F 7.93 4.48 0.00 3.25 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 0.00 169 R 8.42 4.04 0.00 2.05 2.00 0.00 3.22 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 170 Q 8.33 3.94 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 171 H 8.45 3.55 0.00 3.28 3.10 0.00 5.99 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 5.37 4.12 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 0.00 173 A 7.85 4.25 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 * Residues marked with a * may have inaccurate shift predictions.