NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5437 8.3049 120.2819 55.1596 33.9147 174.8114 2 Q 4.2461 8.2232 117.4966 54.6559 30.0822 174.4385 3 H 4.5684 9.5231 120.9883 56.4008 30.9180 174.0330 4 L 5.2407 8.8282 121.8265 53.5320 43.4926 175.5702 5 V 4.8362 9.1807 125.5106 61.1254 33.4825 174.1926 6 L 5.3702 8.9680 128.8190 53.4287 43.4863 175.8180 7 I 5.0421 9.7302 117.0964 57.6998 41.5486 175.4464 8 G 3.6831 8.0115 109.0080 43.1838 0.0000 172.4037 9 F 4.4826 8.0164 118.3490 56.9994 39.5201 174.9566 10 M 3.9798 8.7276 123.1797 57.7121 32.2719 176.5584 11 G 4.0331 9.1805 113.7324 45.5232 0.0000 173.9233 12 S 4.3354 7.6578 113.8539 58.7905 63.8311 175.1380 13 G 4.0830 8.2607 110.2270 45.7863 0.0000 175.7956 14 K 3.9557 8.3699 120.9938 59.1780 32.0638 178.8938 15 S 4.0957 8.0322 112.8270 61.6087 62.4972 176.1999 16 S 4.1240 8.0117 117.3200 61.5392 62.5395 176.3428 17 L 3.9369 8.0565 122.8681 57.9368 41.8376 178.7907 18 A 3.9656 8.3546 121.1944 55.2479 18.3281 179.6810 19 Q 3.9476 8.1122 116.5252 59.1575 28.7701 178.7729 20 E 3.9738 8.0780 119.3824 59.4226 29.4944 179.4617 21 L 4.0384 8.2819 119.4335 57.6841 41.5902 179.8494 22 G 3.5950 8.1764 105.7147 47.6229 0.0000 175.7541 23 L 3.9568 8.0205 121.1930 57.6394 41.4661 179.5616 24 A 4.0847 8.0063 119.3715 54.4294 18.4212 178.6861 25 L 4.3485 7.8569 114.2860 53.3310 42.8934 176.4647 26 K 3.8494 7.5525 116.3556 57.9075 30.1666 174.4602 27 L 4.9069 7.8195 115.8538 52.5573 45.6672 177.5585 28 E 4.2136 8.5499 121.7130 56.2132 31.1013 175.3063 29 V 5.0021 8.3275 124.7369 61.1522 34.0235 174.5384 30 L 4.9885 9.2513 126.7779 52.9238 46.2049 174.8795 31 D 5.3051 8.4157 120.3759 52.2865 43.8852 176.4599 32 T 3.9403 8.9745 117.6696 65.0944 68.8137 176.3698 33 D 4.5890 8.2698 121.3365 57.2280 40.8291 178.2782 34 M 4.0554 8.5097 118.6059 58.7347 32.3032 178.3078 35 I 3.6774 7.8025 119.8157 64.4248 37.2165 178.3986 36 I 3.5763 7.8427 120.5271 64.5716 36.8991 178.4724 37 S 4.4358 8.1919 115.1472 60.9155 61.9702 176.0458 38 E 3.9732 8.2227 120.6437 59.4086 29.2758 179.3096 39 R 3.9990 7.8184 117.0784 59.2791 30.2858 179.0135 40 V 3.5684 7.7031 117.2222 63.7177 31.4653 177.0386 41 G 3.9455 8.3501 105.3620 45.0854 0.0000 172.6876 42 L 4.9675 7.3722 118.3408 51.8000 45.3799 176.3898 43 S 4.6778 9.1228 118.3522 57.4784 65.0674 175.6566 44 V 3.7510 8.3979 121.5613 66.3374 31.1719 177.9715 45 R 3.9207 8.0352 117.7578 59.6463 29.9741 178.1641 46 E 4.0343 8.4157 118.2867 59.3565 29.3352 179.3461 47 I 3.8148 8.4008 120.3040 64.5334 36.7385 178.4203 48 F 3.9555 8.4182 118.4483 60.5771 38.4875 177.6585 49 E 4.0346 8.3534 116.9877 59.3237 29.3913 178.5584 50 E 4.3664 8.5808 116.9358 57.5114 30.3328 177.1382 51 L 4.4464 8.4347 116.7205 53.9615 43.7714 177.8580 52 G 4.0734 7.8065 103.6862 45.3919 0.0000 174.1390 53 E 3.5511 8.7653 118.7107 59.5422 29.3022 179.3013 54 D 4.2513 7.9494 119.0715 57.0935 40.8943 178.3988 55 N 3.8816 7.7782 116.4971 55.9380 38.5297 176.9088 56 F 3.7705 7.5423 121.8416 61.4401 39.2597 177.4792 57 R 3.8971 8.1226 117.7688 59.1970 29.7498 178.6568 58 M 3.8749 7.8245 118.0860 58.6625 32.1205 178.3070 59 F 4.3409 7.4598 117.8535 60.4821 39.0440 177.2816 60 E 3.7143 8.0717 119.1907 59.0262 29.4325 178.7010 61 K 3.6810 8.5792 120.1674 59.5759 32.2681 178.3953 62 N 4.2866 8.2577 116.7703 56.2915 38.4901 177.1116 63 L 3.9397 8.1454 121.8753 58.1039 42.1321 179.0978 64 I 3.6683 7.8109 119.7296 64.4959 36.8383 178.0592 65 D 4.3565 7.7652 118.3991 57.3018 40.9242 178.2586 66 E 4.0637 8.2631 119.6680 59.4260 29.7344 178.9845 67 L 4.0372 8.4650 119.1859 57.5168 41.3819 179.5712 68 K 4.1573 7.9854 118.0259 59.0687 32.0187 178.5283 69 T 4.3374 7.5895 108.1934 61.6013 69.1386 174.4784 70 L 4.3786 7.2699 123.1544 53.9729 41.9811 176.8888 71 K 4.1527 8.6831 124.2573 59.2738 32.5417 178.1813 72 T 4.1906 7.8202 115.7185 62.6685 68.8617 172.9362 73 P 4.5799 0.0000 0.0000 63.3273 32.2090 175.3379 74 H 5.1368 9.2148 119.3032 53.9427 32.9339 172.7555 75 V 4.6375 8.4406 120.8060 62.2323 33.2918 175.0234 76 I 5.2038 8.8826 128.0624 59.6689 40.7689 174.7852 77 S 4.9801 9.0204 122.9596 57.8886 65.1711 173.3694 78 T 5.4986 7.6424 110.5308 58.7440 72.8019 173.6776 79 G 4.1304 8.7822 111.4321 44.5543 0.0000 175.0142 80 G 3.7877 8.8780 108.5622 48.0868 0.0000 174.8136 81 G 3.9868 8.0638 106.4162 45.0928 0.0000 174.9655 82 I 4.0305 7.7983 121.2894 63.9931 38.0428 178.0356 83 V 3.8371 7.7698 112.1139 63.3271 31.3853 176.7861 84 M 4.1318 7.6908 116.7025 57.1500 31.5428 176.3992 85 H 4.4767 8.1274 118.7556 55.0485 29.5645 176.0869 86 E 3.9147 8.8437 125.2427 59.0727 29.6549 177.0673 87 N 4.6478 8.0239 113.2234 53.0954 38.2032 175.7261 88 L 4.0481 7.8252 122.6393 58.2961 42.3931 176.8869 89 K 4.3931 7.7165 117.1938 56.2357 32.5684 175.7430 90 G 3.7247 9.0209 115.6412 46.0863 0.0000 174.9491 91 L 4.1451 8.1482 122.2689 56.0496 42.7537 177.3399 92 G 4.0184 7.1905 103.9284 46.4274 0.0000 171.1761 93 T 4.2379 8.0482 119.3716 63.5859 69.6611 174.1284 94 T 5.1045 8.3883 117.4459 60.1576 71.6345 173.7097 95 F 5.2830 9.3517 123.1173 55.9095 42.4344 173.5637 96 Y 5.0365 9.1023 126.6153 57.0275 39.7159 174.4001 97 L 4.2702 8.7313 130.6902 54.1738 41.6037 174.6588 98 K 3.4470 8.5383 126.9370 55.1688 33.0548 174.7324 99 M 5.0116 8.2472 127.3450 53.1330 35.2045 174.9471 100 D 4.1793 8.4801 124.6118 53.0745 40.4432 177.3905 101 F 4.1829 8.0972 120.4385 60.6562 38.9302 177.7818 102 E 3.9008 8.0819 117.8397 59.7599 29.4190 179.4171 103 T 3.8491 8.0979 115.6959 66.3188 68.2781 176.3772 104 L 3.9332 7.5589 121.2351 58.5450 42.1378 178.9678 105 I 3.8431 7.7396 118.3889 64.2376 37.0583 178.2460 106 K 4.0844 7.7362 118.3008 59.4314 31.9612 179.0505 107 R 4.0997 7.5955 116.1817 56.8407 30.2548 176.5639 *119 L 4.0149 7.3307 118.0600 54.3526 42.8969 175.4887 120 N 4.9910 8.3353 121.2498 51.3910 41.5037 174.6827 121 N 4.3967 9.0303 122.8557 55.7953 38.7672 175.5427 122 L 4.5217 8.4099 116.2377 54.4161 42.1963 175.5233 123 T 4.6839 7.4764 108.7507 59.5339 71.4952 174.6332 124 Q 4.1731 8.4600 118.9943 58.4489 28.7141 178.3158 125 A 4.0283 7.9980 121.6009 54.8641 18.3775 179.1248 126 K 3.7407 8.1449 117.6702 59.9941 32.1327 178.4183 127 E 4.1821 8.2673 118.0205 59.5635 29.3459 179.3601 128 L 3.9256 7.6456 118.8757 57.8300 41.6565 179.5574 129 F 3.9320 8.3223 117.8437 60.4491 38.6221 177.5851 130 E 4.3036 8.6198 118.6573 59.4880 29.2832 179.5254 131 K 3.9680 8.3586 118.6638 59.4765 32.0972 179.6081 132 R 3.6428 8.0576 118.2821 59.1944 29.9669 178.6449 133 Q 4.2559 8.7564 119.2370 59.5122 29.0156 178.3378 134 A 4.0371 8.3656 121.7061 55.3112 18.1199 179.6220 135 L 3.7643 7.4342 116.3766 58.0208 42.0611 179.0722 136 Y 4.1087 7.2186 116.5491 60.9932 37.7932 178.3750 137 E 3.9970 8.2594 119.8877 59.4009 29.3810 179.3524 138 K 3.9474 8.0514 118.4734 58.7675 32.1873 177.5052 139 N 4.7807 7.5837 113.3960 51.6366 39.1081 173.9451 140 A 4.6785 7.0171 123.8812 50.3440 20.8059 177.7947 141 S 3.9259 8.3059 119.9415 60.9437 63.4514 175.0558 142 F 4.5926 7.9808 116.5449 55.5895 43.5048 173.8957 143 I 4.9738 8.5231 122.2991 59.8916 39.0641 174.9180 144 I 4.6219 8.8353 128.7723 59.5845 39.1535 174.8032 145 D 4.5089 9.2030 127.3107 54.0643 40.8002 175.7440 146 A 4.3907 8.6196 129.5595 52.2850 19.0152 179.1352 147 R 3.9750 8.1553 115.1535 58.4243 30.1742 177.8790 148 G 3.6535 7.9858 104.7091 45.4928 0.0000 173.9673 149 G 3.9030 7.8521 106.2291 44.6022 0.0000 174.5223 150 L 3.8704 8.4163 118.8268 58.2823 41.8965 178.3780 151 N 4.3184 8.0442 116.4621 56.5727 38.9201 176.1589 152 N 4.2517 8.0628 118.0912 56.6633 38.6206 176.9177 153 S 4.0516 8.2452 116.6937 61.3671 62.8616 176.0641 154 L 3.8644 8.1708 123.4560 58.3866 41.7756 179.1074 155 K 3.8219 8.0961 118.0927 59.7304 31.9664 179.3320 156 Q 3.7583 7.8081 117.7529 58.7099 28.7183 179.0249 157 V 3.5548 7.6430 119.2261 65.9799 31.6827 178.0092 158 L 3.9241 8.0150 119.0636 57.8414 41.2107 179.3342 159 Q 3.8740 7.7694 118.3075 59.2208 29.0372 178.0273 160 F 4.3909 7.6611 117.9399 60.3675 38.9037 177.2284 161 I 4.0629 7.5923 110.6984 62.8911 37.8233 176.2826 162 A 4.2867 7.7269 126.5703 52.3537 18.3929 176.8032 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 1 M 8.30 4.54 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 2 Q 8.22 4.25 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 3 H 9.52 4.57 0.00 3.27 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.83 5.24 0.00 1.68 1.72 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.18 4.84 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 1.14 0.00 0.00 1.03 0.00 0.00 6 L 8.97 5.37 0.00 1.70 1.65 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.73 5.04 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 1.02 0.00 0.00 8 G 8.01 3.68 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 0.00 0.00 0.00 9 F 8.02 4.48 0.00 3.32 3.17 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 10 M 8.73 3.98 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 11 G 9.18 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 12 S 7.66 4.34 0.00 3.99 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.26 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 0.00 0.00 0.00 0.00 14 K 8.37 3.96 0.00 1.85 1.91 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.21 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.53 7.81 15 S 8.03 4.10 0.00 3.91 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 16 S 8.01 4.12 0.00 3.90 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 17 L 8.06 3.94 0.00 1.82 1.83 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.35 3.97 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 19 Q 8.11 3.95 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 20 E 8.08 3.97 0.00 2.10 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 2.31 2.48 0.00 21 L 8.28 4.04 0.00 1.86 1.66 0.71 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.18 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.02 3.96 0.00 1.85 1.72 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.01 4.08 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 25 L 7.86 4.35 0.00 1.71 1.70 0.90 0.78 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 26 K 7.55 3.85 0.00 1.90 1.84 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 27 L 7.82 4.91 0.00 1.46 1.50 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.55 4.21 0.00 2.00 1.67 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 2.43 2.32 0.00 29 V 8.33 5.00 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 0.89 0.00 0.00 0.95 0.00 0.00 30 L 9.25 4.99 0.00 1.54 1.49 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.42 5.31 0.00 2.78 2.50 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 32 T 8.97 3.94 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 1.23 0.00 0.00 33 D 8.27 4.59 0.00 3.01 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 34 M 8.51 4.06 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 35 I 7.80 3.68 1.87 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 1.51 0.59 0.88 0.00 0.00 36 I 7.84 3.58 1.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.91 0.00 0.00 37 S 8.19 4.44 0.00 4.00 3.99 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 38 E 8.22 3.97 0.00 2.15 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 2.54 2.50 0.00 39 R 7.82 4.00 0.00 1.75 1.84 0.00 3.06 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 40 V 7.70 3.57 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 0.73 0.00 0.00 -0.14 0.00 0.00 41 G 8.35 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 0.00 0.00 0.00 42 L 7.37 4.97 0.00 1.73 1.58 0.99 1.00 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 43 S 9.12 4.68 0.00 4.05 4.04 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 44 V 8.40 3.75 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 0.93 0.00 0.00 1.14 0.00 0.00 45 R 8.04 3.92 0.00 1.91 1.94 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 46 E 8.42 4.03 0.00 2.37 2.04 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 2.37 2.39 0.00 47 I 8.40 3.81 2.22 0.00 0.00 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 1.72 1.06 1.22 0.00 0.00 48 F 8.42 3.96 0.00 3.19 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 49 E 8.35 4.03 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 50 E 8.58 4.37 0.00 1.96 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 2.54 2.52 0.00 51 L 8.43 4.45 0.00 1.74 1.71 1.16 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.81 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 0.00 0.00 0.00 53 E 8.77 3.55 0.00 2.29 2.45 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 2.37 2.41 0.00 54 D 7.95 4.25 0.00 2.63 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 55 N 7.78 3.88 0.00 2.75 2.30 0.00 0.00 6.75 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 56 F 7.54 3.77 0.00 2.43 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 57 R 8.12 3.90 0.00 1.93 1.95 0.00 3.35 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 58 M 7.82 3.87 0.00 1.85 1.88 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 59 F 7.46 4.34 0.00 2.91 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 60 E 8.07 3.71 0.00 1.65 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 2.23 2.24 0.00 61 K 8.58 3.68 0.00 1.81 1.74 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 62 N 8.26 4.29 0.00 2.79 2.85 0.00 0.00 6.70 6.36 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 63 L 8.15 3.94 0.00 1.77 1.75 0.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.81 3.67 2.09 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 1.49 0.64 0.97 0.00 0.00 65 D 7.77 4.36 0.00 2.83 2.72 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 66 E 8.26 4.06 0.00 2.12 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 2.29 2.34 0.00 67 L 8.46 4.04 0.00 1.65 1.60 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.99 4.16 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.67 7.81 69 T 7.59 4.34 4.25 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 1.28 0.00 0.00 70 L 7.27 4.38 0.00 1.86 1.73 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.68 4.15 0.00 1.76 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.47 7.81 72 T 7.82 4.19 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 1.20 0.00 0.00 73 P 0.00 4.58 0.00 2.12 2.18 0.00 3.72 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 2.00 2.02 0.00 74 H 9.21 5.14 0.00 3.05 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.44 4.64 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 0.93 0.00 0.00 0.93 0.00 0.00 76 I 8.88 5.20 1.92 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 1.26 0.57 0.93 0.00 0.00 77 S 9.02 4.98 0.00 3.95 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 78 T 7.64 5.50 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 79 G 8.78 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 0.00 0.00 0.00 80 G 8.88 3.79 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 0.00 0.00 0.00 81 G 8.06 3.99 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 0.00 0.00 0.00 82 I 7.80 4.03 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 1.09 0.00 0.00 83 V 7.77 3.84 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 0.89 0.00 0.00 0.42 0.00 0.00 84 M 7.69 4.13 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 85 H 8.13 4.48 0.00 3.24 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.84 3.91 0.00 1.91 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 2.29 0.00 87 N 8.02 4.65 0.00 2.86 2.90 0.00 0.00 5.96 7.79 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 88 L 7.83 4.05 0.00 1.88 1.71 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.72 4.39 0.00 1.76 1.71 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.55 7.81 90 G 9.02 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 91 L 8.15 4.15 0.00 1.64 1.90 1.02 0.88 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 92 G 7.19 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 0.00 0.00 0.00 93 T 8.05 4.24 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 1.13 0.00 0.00 94 T 8.39 5.10 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 1.24 0.00 0.00 95 F 9.35 5.28 0.00 3.11 3.11 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 96 Y 9.10 5.04 0.00 3.03 2.96 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 0.00 97 L 8.73 4.27 0.00 1.71 1.57 0.89 0.54 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 98 K 8.54 3.45 0.00 0.92 1.53 0.00 1.90 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.24 7.81 99 M 8.25 5.01 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 100 D 8.48 4.18 0.00 2.92 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 0.00 101 F 8.10 4.18 0.00 2.88 2.51 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 0.00 0.00 0.00 0.00 102 E 8.08 3.90 0.00 2.20 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 2.38 2.44 0.00 103 T 8.10 3.85 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 1.18 0.00 0.00 104 L 7.56 3.93 0.00 1.73 1.85 1.10 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.74 3.84 1.76 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.46 0.86 0.00 0.00 106 K 7.74 4.08 0.00 1.90 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 107 R 7.60 4.10 0.00 1.96 1.99 0.00 3.19 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 *119 L 7.33 4.01 0.00 1.58 1.60 0.39 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.34 4.99 0.00 2.66 2.61 0.00 0.00 7.19 6.71 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 0.00 121 N 9.03 4.40 0.00 2.76 2.90 0.00 0.00 7.01 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 0.00 122 L 8.41 4.52 0.00 1.73 1.68 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.48 4.68 4.25 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 1.21 0.00 0.00 124 Q 8.46 4.17 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 125 A 8.00 4.03 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 0.00 126 K 8.14 3.74 0.00 1.94 1.85 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.47 1.51 7.81 127 E 8.27 4.18 0.00 2.18 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 0.00 2.42 2.43 0.00 128 L 7.65 3.93 0.00 1.64 1.56 0.86 1.12 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 0.00 129 F 8.32 3.93 0.00 2.56 1.63 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 0.00 130 E 8.62 4.30 0.00 2.21 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 2.64 2.67 0.00 131 K 8.36 3.97 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.67 7.81 132 R 8.06 3.64 0.00 2.23 1.68 0.00 3.13 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 133 Q 8.76 4.26 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.64 2.83 0.00 134 A 8.37 4.04 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 0.00 135 L 7.43 3.76 0.00 1.28 1.45 0.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 7.22 4.11 0.00 2.00 1.89 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 0.00 137 E 8.26 4.00 0.00 1.99 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 2.59 2.56 0.00 138 K 8.05 3.95 0.00 1.81 1.92 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 139 N 7.58 4.78 0.00 2.83 2.79 0.00 0.00 6.85 6.62 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 0.00 140 A 7.02 4.68 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 0.00 141 S 8.31 3.93 0.00 3.42 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.98 4.59 0.00 2.65 2.41 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 0.00 143 I 8.52 4.97 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.68 0.98 0.00 0.00 144 I 8.84 4.62 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 0.98 0.00 0.00 145 D 9.20 4.51 0.00 2.64 2.61 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 0.00 0.00 0.00 0.00 146 A 8.62 4.39 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 0.00 147 R 8.16 3.97 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.57 0.00 148 G 7.99 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 0.00 149 G 7.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.42 3.87 0.00 1.75 1.66 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.04 4.32 0.00 2.85 2.77 0.00 0.00 6.78 6.71 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 0.00 152 N 8.06 4.25 0.00 2.84 2.91 0.00 0.00 7.22 7.27 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 0.00 153 S 8.25 4.05 0.00 4.00 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 0.00 154 L 8.17 3.86 0.00 1.75 1.83 0.85 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.10 3.82 0.00 1.94 1.77 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.63 7.81 156 Q 7.81 3.76 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 157 V 7.64 3.55 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 0.27 0.00 0.00 0.71 0.00 0.00 158 L 8.02 3.92 0.00 1.63 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 7.77 3.87 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 160 F 7.66 4.39 0.00 2.88 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 0.00 0.00 0.00 161 I 7.59 4.06 1.95 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 1.73 0.61 1.17 0.00 0.00 162 A 7.73 4.29 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 * Residues marked with a * may have inaccurate shift predictions.