NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0319 8.1633 120.7111 55.1733 34.0824 173.7910 2 R 4.9053 9.0361 119.3647 52.6708 33.9292 169.8282 3 V 4.9197 8.2322 121.8974 60.0596 35.8222 174.0540 4 V 4.5872 9.1853 124.7325 61.6380 33.0405 174.2534 5 I 4.8502 9.0558 130.2153 60.2489 39.1225 175.1653 6 Q 5.0177 8.6290 124.5079 53.8271 32.5463 174.7968 7 R 4.0516 8.6392 125.6060 56.7079 31.5421 175.7570 8 V 5.0396 8.8352 117.7278 60.3824 36.3468 175.4486 9 K 4.4663 8.2660 120.6297 56.2448 33.6011 176.4157 10 G 4.2688 7.4734 105.3629 45.8310 0.0000 171.8150 11 A 5.4226 7.3195 116.5723 52.0097 22.2941 175.8266 12 I 4.7396 8.0085 122.2708 59.0472 39.9413 174.0819 13 L 4.3952 8.8775 130.4989 55.0463 43.2319 175.8674 14 S 5.2806 9.1232 121.0346 56.9951 67.7164 173.3469 15 V 4.8991 9.0387 115.4697 59.2285 35.5289 175.7066 16 R 4.5444 9.0483 122.9039 56.1500 30.2387 176.7435 *26 E 4.2735 8.6773 119.0081 55.3527 31.2232 174.7826 27 L 4.6686 7.5593 120.4218 54.2074 45.2192 173.9825 28 E 4.8595 9.1536 123.7460 54.6523 33.3526 174.6413 29 I 4.6907 8.3865 122.1398 61.0364 37.8386 175.6521 30 I 4.5611 8.6446 117.2955 61.1024 39.9247 175.8735 31 S 4.8094 7.9135 116.9554 56.6749 67.2845 173.2169 32 E 5.6120 8.8977 123.7612 55.6512 32.2281 174.3330 33 I 4.3634 8.4646 120.4776 59.4195 40.5282 174.7045 34 K 4.7428 9.7257 123.3790 55.7853 32.8347 176.0059 35 N 3.9869 8.2656 119.8512 53.9140 39.7167 174.3273 36 G 3.8962 6.9955 108.8835 45.4263 0.0000 171.3176 37 L 5.3258 8.6072 122.5444 52.9944 45.3135 175.4949 38 I 4.5912 8.0656 122.5218 59.3614 40.6704 173.8803 39 C 4.9251 8.6701 127.2321 58.0261 30.8993 173.4908 40 F 5.0234 8.9212 124.7642 56.5158 39.3035 174.4244 41 L 5.1750 9.0312 127.0166 53.0110 44.5984 175.1471 42 G 4.5540 9.3536 113.9232 44.5348 0.0000 171.8351 43 I 5.0025 8.7805 125.6402 60.9286 39.1066 174.4527 44 H 4.1664 11.2100 126.2178 54.1583 31.2307 176.1759 45 K 3.8330 8.0129 123.5853 59.1989 32.3263 177.0989 46 N 4.9999 8.1368 114.8465 52.7807 39.9149 173.9678 47 D 4.6469 8.2415 119.2320 54.7321 41.3270 175.9458 48 T 4.8104 9.6907 113.8413 59.2348 71.6400 175.0783 49 W 4.5597 8.9508 129.9031 60.4431 30.2311 177.3457 50 E 3.8628 8.6060 118.6450 59.9684 29.1842 178.3328 51 D 4.3814 7.9851 118.1646 57.6743 40.8256 178.6612 52 A 3.8917 8.1354 119.9209 55.5377 18.4263 178.9724 53 L 3.1775 7.6399 118.6775 58.6617 41.8491 178.5721 54 Y 3.9020 8.0633 119.3160 60.5441 38.7660 177.3901 55 I 3.7028 7.9272 120.1033 65.0080 37.1382 177.9799 56 I 3.0898 7.9028 120.7231 63.6714 36.9728 178.1849 57 R 3.6974 7.7192 119.3297 59.6268 29.9764 178.4728 58 K 3.7389 8.1011 118.1664 59.7230 31.8639 178.9192 59 C 4.1283 8.0227 116.0620 63.1278 28.2322 175.9908 60 L 4.3218 8.2553 118.9739 56.0179 41.5465 177.1883 61 N 4.8432 7.6453 113.1767 52.4479 40.9269 174.2245 62 L 3.8876 8.3479 119.5476 55.1584 41.3624 177.1009 63 R 4.7018 8.5870 123.9329 56.3628 28.3182 176.6137 64 L 5.0034 8.4594 119.7483 54.2310 42.8958 176.0044 65 W 4.6147 8.9991 120.1882 55.1235 32.1781 174.9621 66 N 5.0470 8.5470 118.1082 52.4758 39.3303 174.4841 67 N 4.8235 8.3385 118.2133 51.9470 39.7187 172.5858 68 D 4.2711 7.8650 121.2101 53.6577 40.5352 175.2886 69 N 4.4404 9.1231 123.4589 53.6272 34.8726 174.0817 70 K 4.6721 7.5713 116.4397 55.8869 36.2843 175.8388 71 T 5.0443 8.1362 110.9317 59.8135 71.3099 174.7193 72 W 3.9091 7.4532 117.4667 57.1229 26.0448 173.4202 73 D 4.8955 9.0976 118.6033 54.0649 43.9343 176.0509 74 K 5.1036 8.2874 116.2424 54.3863 36.0776 174.9474 75 N 5.7600 9.3392 119.4572 50.1729 40.6890 175.9856 76 V 3.4238 8.9577 112.3491 64.7664 32.1502 179.1936 77 K 3.5973 8.6297 118.6766 58.6074 32.2883 178.7296 78 D 4.3651 7.8014 117.3007 57.5781 40.6642 178.4865 79 L 4.0233 7.3766 115.4595 54.6217 41.5768 176.1372 80 N 4.3163 8.3888 113.5654 54.3565 36.9653 174.9196 81 Y 4.8642 7.1796 116.3470 57.8892 40.0735 174.4154 82 E 5.0736 8.7831 117.3839 55.6344 34.7564 174.6022 83 L 5.2282 8.8206 120.3766 52.9314 45.5315 175.8464 84 L 4.9132 8.7072 124.7129 53.4537 44.2211 174.8869 85 I 4.5415 8.6038 128.4983 60.3094 39.1967 175.6091 86 V 4.7547 8.5638 125.9553 61.2379 34.8473 174.0418 87 S 4.9545 9.0871 123.4897 58.8454 63.1756 174.2777 88 Q 4.5716 9.3053 125.7070 52.6498 28.6119 175.3735 89 F 4.4213 8.9287 119.2907 60.0900 37.5945 177.1680 90 T 3.7131 6.5812 108.5374 63.2689 68.3939 175.9112 91 L 3.9960 7.6878 121.4992 56.7724 41.6990 177.9713 92 F 5.0517 7.7082 115.2324 56.5294 39.7710 174.9757 93 G 3.9704 7.7559 107.6239 45.1965 0.0000 173.0558 94 N 4.5433 8.2879 123.9842 52.6981 37.8760 175.8672 95 T 4.6014 8.1423 108.2181 61.2250 70.2239 175.1122 96 K 4.0051 8.3858 124.4937 60.2368 31.7869 178.5143 97 K 3.7824 8.1154 119.1392 57.0196 32.2232 180.3889 98 G 4.4814 7.4176 111.2066 44.4546 0.0000 172.7221 99 N 4.8333 8.7028 121.3773 52.9631 38.8354 174.5249 100 K 4.5807 7.7778 118.4822 53.9054 35.0302 173.6320 101 P 4.9126 0.0000 0.0000 60.5420 33.4345 174.4234 102 D 3.9816 7.4220 117.0238 51.8753 42.4466 175.9116 103 F 5.0126 8.1164 123.6974 56.7669 38.3844 175.3813 104 H 4.6633 7.6421 118.2142 58.0868 30.0794 177.5891 105 L 3.8894 8.1696 118.9981 57.5975 41.6492 177.2537 106 A 4.1248 7.9248 118.9747 51.6299 18.7297 177.4354 107 K 3.8121 8.2487 123.7036 56.3870 33.4549 175.9318 108 E 3.9815 8.8111 124.8971 55.5500 30.4895 176.5988 109 P 5.2110 0.0000 0.0000 62.5628 31.3188 176.3682 110 N 4.9533 7.9398 116.5666 54.3483 42.9928 177.5930 111 E 4.0939 8.4630 117.0869 58.9529 29.4632 178.8784 112 A 4.1152 7.8470 120.7642 55.4725 18.2972 179.2265 113 L 2.7267 7.3738 117.2769 58.3088 41.9752 179.4430 114 I 3.7236 7.8380 119.5029 63.9163 36.8689 178.2803 115 F 4.0929 8.1817 121.3294 61.4257 39.3199 176.0750 116 Y 4.2803 8.8814 119.5218 61.2813 38.5986 178.1871 117 N 4.5548 8.7367 117.2670 56.1942 38.5058 177.6171 118 K 3.9131 8.0262 120.1928 59.8115 32.0242 178.6974 119 I 3.7986 8.1789 120.3755 64.3799 36.9005 178.0555 120 I 3.9401 8.3931 120.7750 64.9398 37.2693 178.1504 121 D 4.3534 8.2253 118.6699 57.3932 41.1626 177.9689 122 E 4.1174 8.7636 120.3024 59.1300 29.6187 178.5533 123 F 4.3151 8.9137 118.4233 60.7802 38.7878 177.7902 124 K 4.3331 7.9408 116.4644 59.0069 32.0463 178.8928 125 K 4.1900 7.9601 117.8691 58.0863 32.1247 177.6067 126 Q 4.4692 7.4986 115.2041 59.1681 30.5324 174.7279 127 Y 4.7409 8.1330 120.9033 56.3491 41.0218 173.5741 128 N 4.7568 8.4195 117.3796 52.5630 39.0528 174.2255 129 D 4.7780 8.4123 115.4614 53.3830 39.4689 176.1995 130 D 4.5634 9.2013 119.3738 54.9336 41.7223 176.6974 131 K 4.2698 7.6161 116.6429 56.9448 33.5038 175.4394 132 I 4.6908 7.4905 121.5704 59.4070 38.9383 175.0950 133 K 4.8815 9.0061 126.7526 54.6872 35.7035 175.1138 134 I 5.3108 7.6056 114.2153 59.5997 40.7676 174.8742 135 G 4.1499 8.5592 110.9718 45.8541 0.0000 174.7060 136 K 4.4738 8.4300 121.8586 54.1571 32.3685 174.3322 137 F 3.5940 8.7056 124.3678 59.0789 39.7451 175.7838 138 G 3.8683 7.9991 117.8117 46.7452 0.0000 172.7874 139 N 4.9442 7.8467 113.7416 50.6593 42.2194 174.4125 140 Y 3.9572 8.7812 122.7514 58.6490 39.0621 175.3009 141 M 4.8767 7.4759 125.0023 53.3055 36.4594 174.2715 142 N 4.7937 9.1403 119.7601 51.9618 41.7403 173.2166 143 I 4.8085 8.2869 127.1348 59.6261 39.6837 175.9313 144 D 4.6316 8.5793 128.7332 54.0810 39.9855 175.4590 145 V 4.2677 8.1137 122.5854 62.3638 33.2576 175.7607 146 T 4.4986 8.2536 123.9197 61.6177 68.9524 172.4819 147 N 4.7556 8.5607 123.0991 53.3867 39.4098 174.9003 148 D 4.2483 10.1340 124.8902 52.6366 40.0994 173.8509 149 G 3.8846 8.1714 116.7592 42.3441 0.0000 169.2407 150 P 4.9299 0.0000 0.0000 60.3332 34.8337 175.0767 151 V 4.3297 7.9969 119.2424 62.1373 33.4169 174.8949 152 T 5.5489 8.3357 123.3253 61.2718 70.7005 172.8691 153 I 4.4061 8.1544 126.8420 60.1667 39.7033 174.1797 154 Y 5.3559 8.3231 125.1883 55.0838 41.4632 174.1867 155 I 4.4622 7.8711 126.7526 59.5864 40.8040 174.4227 156 D 4.6867 8.3797 124.2574 52.2793 42.7127 175.5563 157 T 3.6798 8.7017 117.6818 64.7692 68.8577 176.6642 158 H 4.2910 8.1805 118.7314 58.4400 28.9753 175.8756 159 D 4.4922 8.3939 118.8912 56.8826 41.1426 176.5345 160 I 4.0019 7.2086 123.1058 61.2829 37.2094 175.2455 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 8.16 5.03 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.04 4.91 0.00 1.33 1.55 0.00 2.21 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.57 0.00 3 V 8.23 4.92 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 0.62 0.00 0.00 1.00 0.00 0.00 4 V 9.19 4.59 2.33 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 1.08 0.00 0.00 1.06 0.00 0.00 5 I 9.06 4.85 1.89 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 1.25 0.50 0.92 0.00 0.00 6 Q 8.63 5.02 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 7 R 8.64 4.05 0.00 1.65 1.66 0.00 2.21 0.00 0.00 2.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.09 0.00 8 V 8.84 5.04 2.31 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 0.88 0.00 0.00 1.01 0.00 0.00 9 K 8.27 4.47 0.00 1.59 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.40 1.36 7.81 10 G 7.47 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 0.00 0.00 0.00 0.00 11 A 7.32 5.42 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 12 I 8.01 4.74 1.88 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 1.23 0.72 0.92 0.00 0.00 13 L 8.88 4.40 0.00 1.71 1.54 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.12 5.28 0.00 3.80 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 15 V 9.04 4.90 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 0.86 0.00 0.00 0.96 0.00 0.00 16 R 9.05 4.54 0.00 1.83 1.88 0.00 3.11 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 *26 E 8.68 4.27 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 27 L 7.56 4.67 0.00 1.60 1.57 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.15 4.86 0.00 2.01 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 29 I 8.39 4.69 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 1.41 0.58 0.96 0.00 0.00 30 I 8.64 4.56 1.89 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 1.24 0.68 0.93 0.00 0.00 31 S 7.91 4.81 0.00 3.74 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 32 E 8.90 5.61 0.00 1.92 1.78 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 2.18 2.28 0.00 33 I 8.46 4.36 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.88 0.00 0.00 34 K 9.73 4.74 0.00 1.53 1.60 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.51 7.81 35 N 8.27 3.99 0.00 1.63 1.42 0.00 0.00 6.75 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.00 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 37 L 8.61 5.33 0.00 1.63 1.60 1.10 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.07 4.59 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 1.28 0.88 0.00 0.00 39 C 8.67 4.93 0.00 2.77 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 40 F 8.92 5.02 0.00 3.02 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 41 L 9.03 5.18 0.00 1.76 1.61 1.15 0.82 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 42 G 9.35 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 43 I 8.78 5.00 2.01 0.00 0.00 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 1.59 1.27 0.79 0.00 0.00 44 H 11.21 4.17 0.00 3.04 3.38 0.00 5.61 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 45 K 8.01 3.83 0.00 1.82 1.88 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 1.39 7.81 46 N 8.14 5.00 0.00 2.60 2.76 0.00 0.00 6.98 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.24 4.65 0.00 2.29 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 48 T 9.69 4.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 49 W 8.95 4.56 0.00 3.42 3.19 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 50 E 8.61 3.86 0.00 1.95 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 2.44 2.55 0.00 51 D 7.99 4.38 0.00 2.99 2.77 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 52 A 8.14 3.89 1.03 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 53 L 7.64 3.18 0.00 1.55 1.48 -0.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.06 3.90 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 55 I 7.93 3.70 1.92 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 1.71 0.81 0.93 0.00 0.00 56 I 7.90 3.09 1.53 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.47 0.00 0.00 57 R 7.72 3.70 0.00 1.71 1.82 0.00 3.00 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 58 K 8.10 3.74 0.00 1.69 1.66 0.00 1.56 0.00 0.00 1.40 0.00 0.00 2.55 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.56 0.95 7.81 59 C 8.02 4.13 0.00 3.37 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.26 4.32 0.00 1.56 1.66 1.02 0.95 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 61 N 7.65 4.84 0.00 2.74 2.77 0.00 0.00 6.98 7.38 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 62 L 8.35 3.89 0.00 1.68 1.67 0.88 0.84 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 63 R 8.59 4.70 0.00 2.00 2.10 0.00 3.13 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 64 L 8.46 5.00 0.00 0.86 1.31 0.77 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 65 W 9.00 4.61 0.00 3.38 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 66 N 8.55 5.05 0.00 2.60 2.77 0.00 0.00 6.18 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 67 N 8.34 4.82 0.00 2.91 2.65 0.00 0.00 7.13 8.37 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 68 D 7.87 4.27 0.00 2.69 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 69 N 9.12 4.44 0.00 3.04 3.04 0.00 0.00 6.05 7.13 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 70 K 7.57 4.67 0.00 1.92 1.69 0.00 1.89 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.53 7.81 71 T 8.14 5.04 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 1.16 0.00 0.00 72 W 7.45 3.91 0.00 3.39 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 73 D 9.10 4.90 0.00 2.79 2.66 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 74 K 8.29 5.10 0.00 1.84 1.70 0.00 1.65 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 75 N 9.34 5.76 0.00 2.95 3.17 0.00 0.00 6.85 7.66 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 76 V 8.96 3.42 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 1.14 0.00 0.00 1.12 0.00 0.00 77 K 8.63 3.60 0.00 1.67 1.53 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 0.65 7.81 78 D 7.80 4.37 0.00 2.67 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 79 L 7.38 4.02 0.00 0.27 0.50 0.56 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.39 4.32 0.00 2.61 2.78 0.00 0.00 6.89 7.48 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 81 Y 7.18 4.86 0.00 2.75 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.78 5.07 0.00 1.86 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 2.24 2.51 0.00 83 L 8.82 5.23 0.00 1.37 1.29 1.10 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.71 4.91 0.00 1.65 1.42 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.60 4.54 1.74 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.58 0.83 0.00 0.00 86 V 8.56 4.75 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 0.99 0.00 0.00 0.84 0.00 0.00 87 S 9.09 4.95 0.00 3.94 3.32 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 88 Q 9.31 4.57 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 89 F 8.93 4.42 0.00 3.35 3.26 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 90 T 6.58 3.71 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 -0.31 0.00 0.00 91 L 7.69 4.00 0.00 1.45 1.44 0.93 0.78 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 92 F 7.71 5.05 0.00 3.26 3.16 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 93 G 7.76 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 94 N 8.29 4.54 0.00 3.08 2.93 0.00 0.00 6.17 7.10 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 95 T 8.14 4.60 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 96 K 8.39 4.01 0.00 1.74 1.90 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.48 7.81 97 K 8.12 3.78 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.29 7.81 98 G 7.42 4.48 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 0.00 99 N 8.70 4.83 0.00 2.71 2.83 0.00 0.00 6.45 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 0.00 100 K 7.78 4.58 0.00 1.65 1.61 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.39 7.81 101 P 0.00 4.91 0.00 1.71 1.95 0.00 3.42 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 102 D 7.42 3.98 0.00 2.34 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 8.12 5.01 0.00 3.30 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.64 4.66 0.00 3.14 3.34 0.00 5.73 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.17 3.89 0.00 1.74 1.45 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.92 4.12 1.57 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 0.00 0.00 107 K 8.25 3.81 0.00 1.82 1.78 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.41 7.81 108 E 8.81 3.98 0.00 2.06 1.85 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 2.40 2.32 0.00 109 P 0.00 5.21 0.00 2.10 2.06 0.00 3.71 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 2.00 2.11 0.00 110 N 7.94 4.95 0.00 3.26 2.76 0.00 0.00 7.10 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 0.00 111 E 8.46 4.09 0.00 2.02 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 2.59 0.00 112 A 7.85 4.12 1.62 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 0.00 0.00 113 L 7.37 2.73 0.00 1.16 1.65 -0.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.84 3.72 1.98 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 1.38 0.59 0.90 0.00 0.00 115 F 8.18 4.09 0.00 3.14 3.39 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 0.00 116 Y 8.88 4.28 0.00 3.33 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 0.00 117 N 8.74 4.55 0.00 2.80 2.91 0.00 0.00 7.11 8.07 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 0.00 118 K 8.03 3.91 0.00 1.85 1.29 0.00 1.61 0.00 0.00 1.22 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.83 1.23 7.81 119 I 8.18 3.80 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.45 0.97 0.00 0.00 120 I 8.39 3.94 1.97 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.77 0.98 0.00 0.00 121 D 8.23 4.35 0.00 3.11 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 0.00 122 E 8.76 4.12 0.00 2.68 2.19 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 2.48 2.33 0.00 123 F 8.91 4.32 0.00 3.26 2.98 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 0.00 124 K 7.94 4.33 0.00 1.89 1.91 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.79 7.81 125 K 7.96 4.19 0.00 1.85 2.03 0.00 1.81 0.00 0.00 1.96 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.52 7.81 126 Q 7.50 4.47 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 127 Y 8.13 4.74 0.00 3.01 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 0.00 128 N 8.42 4.76 0.00 2.79 2.81 0.00 0.00 5.76 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.41 4.78 0.00 2.78 2.77 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 0.00 130 D 9.20 4.56 0.00 2.47 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 0.00 131 K 7.62 4.27 0.00 0.85 1.28 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.62 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.14 0.21 7.81 132 I 7.49 4.69 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.74 0.00 0.00 133 K 9.01 4.88 0.00 1.67 1.64 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.45 7.81 134 I 7.61 5.31 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 1.11 0.00 0.00 135 G 8.56 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 0.00 0.00 0.00 136 K 8.43 4.47 0.00 1.78 1.78 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.35 7.81 137 F 8.71 3.59 0.00 2.74 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 0.00 138 G 8.00 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 0.00 139 N 7.85 4.94 0.00 2.94 2.73 0.00 0.00 6.72 7.47 0.00 0.00 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 Y 8.78 3.96 0.00 2.99 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 0.00 141 M 7.48 4.88 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.45 0.00 142 N 9.14 4.79 0.00 2.94 2.74 0.00 0.00 7.26 7.66 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 0.00 143 I 8.29 4.81 1.94 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 1.36 0.67 0.94 0.00 0.00 144 D 8.58 4.63 0.00 2.60 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 0.00 145 V 8.11 4.27 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 0.83 0.00 0.00 1.03 0.00 0.00 146 T 8.25 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 147 N 8.56 4.76 0.00 2.62 2.78 0.00 0.00 6.98 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 D 10.13 4.25 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 0.00 149 G 8.17 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 0.00 0.00 0.00 150 P 0.00 4.93 0.00 2.18 2.03 0.00 3.77 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 151 V 8.00 4.33 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 1.18 0.00 0.00 0.90 0.00 0.00 152 T 8.34 5.55 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 1.29 0.00 0.00 153 I 8.15 4.41 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.90 0.00 0.00 154 Y 8.32 5.36 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.87 4.46 1.77 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 1.16 0.90 1.06 0.00 0.00 156 D 8.38 4.69 0.00 2.81 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 0.00 157 T 8.70 3.68 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 1.29 0.00 0.00 158 H 8.18 4.29 0.00 3.32 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.39 4.49 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.21 4.00 1.60 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 0.96 0.73 0.81 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.