NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 K 4.2080 8.3149 121.7863 56.8057 33.5813 179.2738 17 H 4.5608 8.4682 110.3433 53.6610 26.7934 173.6705 18 A 4.1557 8.1305 125.0191 54.7057 19.9096 179.7018 19 G 3.7464 8.2634 105.3274 49.1313 0.0000 177.3245 20 T 3.9417 7.3245 111.5510 61.1798 68.2200 176.4869 *22 T 4.3142 7.9982 119.8225 64.8833 71.0351 176.8677 23 L 4.1028 7.7193 120.5625 57.8881 41.3528 179.3243 24 E 4.0369 8.2161 117.2480 59.4592 29.7442 179.0078 25 A 4.2442 7.7380 120.1834 55.0485 18.3481 179.0890 26 Y 4.0901 7.7582 116.2454 58.3330 38.9805 177.8091 *28 R 4.2289 8.0000 119.2421 55.7284 32.5137 177.7802 29 F 4.1848 8.0901 119.2583 61.3036 39.2044 177.1615 30 S 3.5465 7.7953 114.5516 61.4834 62.1394 176.4396 31 A 3.9068 7.8662 122.6455 55.3167 17.8487 179.4993 32 K 3.9318 7.6330 116.6878 59.3598 32.5311 178.5340 33 L 4.1081 7.8021 120.9865 58.2408 41.9919 179.1842 34 S 4.2158 8.3242 115.1748 61.2697 62.6417 176.2666 35 E 3.9816 7.9539 120.4257 59.1948 29.0126 179.0351 36 A 4.0400 8.1755 120.8926 54.9837 18.1573 179.6391 37 K 3.7404 7.7039 116.1033 59.2411 32.0266 178.7608 38 D 4.5307 7.9965 118.7493 56.0975 40.8428 176.4423 39 E 4.5249 8.1058 119.2016 55.5309 30.5730 176.2490 *41 G 3.8055 7.8974 104.4437 44.6044 0.0000 173.4639 42 T 4.0402 8.2026 109.9530 64.3575 68.7881 176.9923 43 K 3.9974 8.0209 121.1317 59.4696 32.1354 178.7165 44 E 4.0851 8.2067 119.1123 59.4176 29.5941 177.9543 45 Y 4.1927 8.4096 119.8106 60.8211 38.8866 177.9305 46 E 3.8804 8.5498 119.6467 59.1191 29.5464 179.5018 47 V 3.4880 7.6543 117.9191 65.8593 31.5625 177.4643 48 F 3.3938 8.0290 120.8228 61.6338 39.1066 177.3096 49 T 3.1724 7.6561 109.3202 64.1829 68.1634 176.2042 50 K 3.7846 7.5734 121.6881 59.4042 32.3780 178.3274 51 E 4.0247 7.9885 118.7427 59.2790 29.3492 179.0310 52 L 3.8205 7.7423 120.7303 57.9449 41.9212 178.8774 53 K 4.0788 7.9109 120.8958 58.7175 32.0608 178.8624 54 K 3.9465 7.7898 118.8969 59.3251 32.0130 179.0617 55 L 4.0364 7.7665 120.2658 58.4146 41.9769 178.9281 56 T 3.8858 8.3764 110.2534 64.9412 68.6720 176.2263 57 N 4.2886 8.6214 119.3968 55.8885 38.4878 177.2426 58 A 4.1882 7.8793 121.9756 54.9496 18.4201 179.8204 59 K 3.9622 8.2137 117.1127 59.4087 31.8732 179.3479 60 L 3.8843 7.6807 118.0283 57.9647 41.6896 179.3029 61 A 3.8701 7.6797 118.8901 54.4157 18.3973 177.7477 62 Y 4.6519 8.0763 111.7734 57.5739 39.9680 176.6440 63 G 3.7785 7.9716 109.3915 45.0425 0.0000 174.7233 64 D 4.6577 8.7481 120.9734 52.6787 40.9441 177.0098 65 S 4.2625 8.6477 112.4287 60.7201 62.9499 174.1767 66 N 4.7666 9.1320 118.7900 52.8092 38.8746 175.8512 67 G 4.0819 8.3217 105.8579 45.8295 0.0000 173.8113 68 N 4.7614 7.7044 117.6096 52.3565 39.4608 174.1378 69 I 4.3587 9.3066 124.5302 59.6217 38.8617 176.3424 70 D 4.4917 8.0404 125.2616 52.5903 39.9082 175.6048 71 Y 4.0987 7.9956 122.2360 60.7356 38.3666 178.9204 72 D 4.4089 8.2872 117.8717 56.8846 41.0432 176.8707 73 A 4.3089 8.1264 119.9946 52.5376 18.9373 177.4168 74 L 4.2679 7.3310 116.2978 53.2255 42.7839 177.0909 75 S 4.2993 8.3558 115.7300 58.3604 63.0455 175.4288 76 S 4.0744 8.7325 116.5841 61.7744 62.2525 176.7174 77 E 3.9689 7.9909 121.3440 59.0700 29.3829 178.5704 78 K 3.8563 7.7144 118.1990 59.5577 32.2457 178.2868 79 R 4.0604 7.9738 118.0538 59.4405 30.2275 177.7937 80 E 4.1008 7.8401 118.1231 59.0920 29.6263 178.8932 81 E 4.0911 8.3201 117.0973 56.9207 29.5883 178.1920 *83 K 4.0767 7.9891 119.7672 55.8738 33.9951 177.7939 84 K 4.0390 8.2527 117.0582 59.5730 32.4604 178.3381 85 V 3.8063 8.0681 118.4915 66.3311 31.5776 179.1844 86 S 4.2166 7.7600 113.1029 58.8414 61.8892 176.4776 *88 G 4.0328 8.1547 111.4362 45.5267 0.0000 175.4753 89 L 4.4877 7.9266 119.3683 56.5303 41.7277 178.6959 90 Q 4.3336 8.3215 120.1670 59.1587 28.9235 176.9068 91 P 4.2106 0.0000 0.0000 65.7299 31.2304 178.1944 92 Y 3.7877 7.6555 114.9762 60.9174 37.8503 178.3087 93 F 4.5072 7.9812 118.6731 60.8560 39.1108 177.3499 94 D 4.5026 8.6506 118.8352 57.3563 40.6268 178.9825 95 K 3.9099 7.9815 119.9651 59.5426 32.0803 178.9023 96 L 4.1503 8.0637 117.6744 56.8523 41.6229 178.0836 97 N 4.7084 8.0665 114.8447 52.3617 38.8060 175.2439 98 G 3.8348 7.7902 108.4062 46.8216 0.0000 173.4011 99 H 5.0353 8.2633 115.7587 52.9699 31.2949 174.7758 100 K 4.0390 8.2771 120.2579 56.3487 32.5552 177.6180 101 S 4.3941 8.4217 115.4120 58.0367 62.9554 174.9532 102 S 4.0865 9.8572 126.5147 61.5220 62.5635 176.3889 103 K 2.8771 8.0173 121.5634 58.3216 31.7981 177.7712 104 E 4.1797 7.1594 117.4529 58.6676 30.0537 178.3775 105 V 3.6669 7.8266 117.2991 64.3681 31.8981 176.2229 106 L 4.6334 7.2846 117.8535 53.4016 43.0196 177.0491 107 T 4.1708 9.0666 112.7498 61.3499 70.7382 175.3894 108 Q 4.0336 8.6460 122.1050 59.4983 29.0206 177.8912 109 E 3.9588 8.3629 119.6047 59.8351 29.5056 178.7089 110 E 4.2770 8.4573 118.1747 59.3527 29.2783 179.2172 111 F 4.4275 8.4067 120.4752 61.2267 39.5317 176.4044 112 D 4.3728 8.1311 116.8476 57.5189 41.2990 178.1625 113 R 3.9363 8.0282 118.5278 59.0663 29.7719 178.7769 114 Y 4.9382 8.3013 116.9197 58.4585 38.3668 177.4250 *116 E 4.0824 8.1260 118.6460 55.8355 31.7871 177.2188 117 A 4.1665 8.2263 121.6727 55.3395 18.7259 180.3062 118 L 4.0734 7.9232 113.4268 55.8019 41.1364 179.3784 *120 T 4.3218 8.0800 117.1068 64.0878 70.6467 175.7668 121 H 4.2894 8.4453 120.3718 59.4485 29.8729 176.8614 122 E 3.9979 8.3483 120.9952 59.3233 29.4860 178.6639 123 I 3.6101 7.8809 119.4108 64.5650 37.2213 178.4521 124 V 3.3414 8.0703 119.0357 65.7779 31.1197 178.2987 125 R 3.8486 7.7753 117.9785 58.8256 29.8100 179.2238 126 V 3.7788 7.3978 119.3215 65.5492 31.3954 178.3187 127 K 3.8992 7.7615 117.0255 58.9779 31.9193 178.4899 128 T 4.2123 7.7840 107.2949 60.5586 69.4866 174.6048 129 K 3.8535 7.7036 120.3501 57.5426 30.4728 174.7884 130 S 4.7085 7.6806 111.9595 56.7659 65.0250 173.9465 131 T 4.3231 8.5582 113.6112 62.0371 70.1749 175.8337 132 G 3.8775 7.6252 115.1435 45.2587 0.0000 173.7066 133 A 4.2322 8.5054 127.8396 51.2759 18.3026 177.6185 134 I 3.6783 8.3925 123.7271 62.1063 37.8775 175.8926 135 K 4.5571 8.2509 122.8479 54.6566 34.3859 177.2422 136 V 3.5299 8.5251 123.6347 65.5434 31.8381 177.6262 137 E 3.9482 8.2851 118.5235 59.4587 29.3009 177.8128 138 E 4.0821 8.0911 117.3905 57.7677 29.9935 176.7509 139 I 3.8265 7.0675 120.3678 60.4217 37.6974 174.2879 140 P 4.4338 0.0000 0.0000 62.4874 32.0646 177.1016 141 E 3.9301 8.8417 121.0106 59.2280 29.2965 178.9944 142 A 4.0206 8.0009 119.3907 54.0160 18.5939 177.7051 143 Y 4.6681 7.9431 113.2489 57.4011 39.1824 177.8598 144 K 4.0865 7.7661 119.6677 59.6245 32.2762 179.0363 145 E 4.0100 8.1405 118.3199 59.3563 29.4246 179.0850 146 R 3.9299 8.0729 118.2882 59.3930 30.1660 178.0270 147 F 4.1890 8.6241 120.4574 61.4926 39.4767 176.8940 148 I 3.6106 7.9343 119.3202 64.4757 36.8820 178.5789 149 K 3.9553 8.1966 118.7591 59.4225 31.6835 179.1420 150 A 4.0336 7.9338 119.9774 55.2342 18.3206 179.0203 151 E 3.8762 8.0847 117.0071 59.3225 30.0268 178.6471 152 Q 4.2080 8.0949 118.0989 58.8414 28.8779 180.5828 153 F 4.5266 8.4720 121.6265 58.3501 39.5012 176.6283 *155 E 4.2445 8.2391 118.3051 56.0882 31.4846 177.8059 156 Y 3.9960 7.7785 118.0618 60.5985 39.1008 177.8697 157 V 2.9765 7.3126 119.1747 65.5794 31.3606 177.2856 158 D 4.1431 7.7895 117.3349 57.4986 40.7807 177.9155 159 E 3.8403 7.8757 118.3078 58.7293 29.6919 178.1507 160 K 4.1112 7.2747 116.3105 57.2860 32.3888 177.2772 161 V 3.9421 7.1797 117.8971 61.4690 32.6582 175.0063 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 16 K 8.31 4.21 0.00 1.69 0.91 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.38 7.81 17 H 8.47 4.56 0.00 3.33 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.13 4.16 1.29 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 0.00 0.00 0.00 19 G 8.26 3.75 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 0.00 0.00 0.00 20 T 7.32 3.94 4.26 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 1.21 0.00 0.00 *22 T 8.00 4.31 4.40 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 1.23 0.00 0.00 23 L 7.72 4.10 0.00 1.88 1.77 0.93 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 24 E 8.22 4.04 0.00 1.98 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 2.38 2.37 0.00 25 A 7.74 4.24 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 26 Y 7.76 4.09 0.00 3.19 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 *28 R 8.00 4.23 0.00 2.12 2.03 0.00 3.21 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 29 F 8.09 4.18 0.00 3.02 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 30 S 7.80 3.55 0.00 3.79 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 31 A 7.87 3.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.63 3.93 0.00 1.84 1.96 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 33 L 7.80 4.11 0.00 1.12 1.43 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.32 4.22 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.95 3.98 0.00 2.27 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 0.00 2.32 2.48 0.00 36 A 8.18 4.04 1.55 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 37 K 7.70 3.74 0.00 1.66 1.68 0.00 1.34 0.00 0.00 1.40 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 0.21 7.81 38 D 8.00 4.53 0.00 2.77 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 39 E 8.11 4.52 0.00 1.87 1.88 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 2.21 2.19 0.00 *41 G 7.90 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 0.00 0.00 0.00 42 T 8.20 4.04 4.30 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 1.21 0.00 0.00 43 K 8.02 4.00 0.00 1.87 1.94 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.53 7.81 44 E 8.21 4.09 0.00 2.13 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 2.63 2.64 0.00 45 Y 8.41 4.19 0.00 3.21 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 46 E 8.55 3.88 0.00 2.10 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 2.38 2.52 0.00 47 V 7.65 3.49 2.26 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 1.03 0.00 0.00 1.00 0.00 0.00 48 F 8.03 3.39 0.00 2.38 2.94 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 0.00 0.00 0.00 0.00 49 T 7.66 3.17 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 0.41 0.00 0.00 50 K 7.57 3.78 0.00 1.74 2.00 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.44 7.81 51 E 7.99 4.02 0.00 1.94 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 2.26 2.44 0.00 52 L 7.74 3.82 0.00 1.04 1.34 1.05 0.41 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 53 K 7.91 4.08 0.00 2.00 1.87 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.38 7.81 54 K 7.79 3.95 0.00 1.98 1.87 0.00 1.86 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.57 7.81 55 L 7.77 4.04 0.00 1.84 1.88 1.06 0.93 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 56 T 8.38 3.89 4.16 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 1.19 0.00 0.00 57 N 8.62 4.29 0.00 2.81 2.90 0.00 0.00 6.89 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 58 A 7.88 4.19 1.52 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 0.00 0.00 59 K 8.21 3.96 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.70 7.81 60 L 7.68 3.88 0.00 1.72 1.67 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.68 3.87 0.66 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 0.00 0.00 62 Y 8.08 4.65 0.00 2.91 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 63 G 7.97 3.78 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 0.00 0.00 0.00 64 D 8.75 4.66 0.00 2.78 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 65 S 8.65 4.26 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 9.13 4.77 0.00 2.92 2.79 0.00 0.00 6.82 8.19 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 67 G 8.32 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 68 N 7.70 4.76 0.00 2.72 2.69 0.00 0.00 6.90 7.20 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 69 I 9.31 4.36 0.96 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 1.10 0.43 0.17 0.00 0.00 70 D 8.04 4.49 0.00 2.58 2.47 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 0.00 0.00 0.00 0.00 71 Y 8.00 4.10 0.00 3.07 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.29 4.41 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.13 4.31 1.34 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 0.00 0.00 0.00 74 L 7.33 4.27 0.00 1.72 1.46 0.90 0.20 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 75 S 8.36 4.30 0.00 3.99 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 76 S 8.73 4.07 0.00 4.06 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 77 E 7.99 3.97 0.00 2.08 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 2.40 2.42 0.00 78 K 7.71 3.86 0.00 1.70 1.75 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.08 1.28 7.81 79 R 7.97 4.06 0.00 1.93 1.95 0.00 3.34 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 80 E 7.84 4.10 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 81 E 8.32 4.09 0.00 2.06 2.16 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 2.35 2.36 0.00 *83 K 7.99 4.08 0.00 1.86 1.99 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.33 7.81 84 K 8.25 4.04 0.00 1.93 1.90 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.41 7.81 85 V 8.07 3.81 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 1.02 0.00 0.00 0.99 0.00 0.00 86 S 7.76 4.22 0.00 4.02 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 *88 G 8.15 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 89 L 7.93 4.49 0.00 1.94 1.66 1.11 0.55 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 90 Q 8.32 4.33 0.00 2.62 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.73 3.00 0.00 91 P 0.00 4.21 0.00 1.76 1.88 0.00 3.88 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 92 Y 7.66 3.79 0.00 2.90 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 0.00 0.00 0.00 0.00 93 F 7.98 4.51 0.00 3.42 3.13 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 94 D 8.65 4.50 0.00 2.87 2.94 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 0.00 0.00 0.00 0.00 95 K 7.98 3.91 0.00 1.75 1.92 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 96 L 8.06 4.15 0.00 1.72 1.75 0.62 1.18 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 97 N 8.07 4.71 0.00 2.85 2.58 0.00 0.00 6.98 7.19 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 98 G 7.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.26 5.04 0.00 3.09 3.17 0.00 5.69 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 0.00 100 K 8.28 4.04 0.00 1.70 1.71 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.40 7.81 101 S 8.42 4.39 0.00 3.82 3.69 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 0.00 102 S 9.86 4.09 0.00 4.14 4.19 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 0.00 103 K 8.02 2.88 0.00 1.19 1.58 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.97 0.31 7.81 104 E 7.16 4.18 0.00 2.15 1.91 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 2.21 2.19 0.00 105 V 7.83 3.67 1.99 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 0.77 0.00 0.00 0.88 0.00 0.00 106 L 7.28 4.63 0.00 1.86 1.73 0.97 0.59 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 0.00 107 T 9.07 4.17 4.30 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 1.29 0.00 0.00 108 Q 8.65 4.03 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 109 E 8.36 3.96 0.00 2.11 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 0.00 2.42 2.44 0.00 110 E 8.46 4.28 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 111 F 8.41 4.43 0.00 3.15 3.35 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 0.00 112 D 8.13 4.37 0.00 2.76 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 0.00 113 R 8.03 3.94 0.00 1.72 1.01 0.00 3.02 0.00 0.00 2.86 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.48 0.00 114 Y 8.30 4.94 0.00 3.34 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 *116 E 8.13 4.08 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 2.32 2.18 0.00 117 A 8.23 4.17 1.53 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 0.00 0.00 118 L 7.92 4.07 0.00 1.45 1.52 0.18 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 *120 T 8.08 4.32 4.47 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 0.00 0.00 0.00 1.43 0.00 0.00 121 H 8.45 4.29 0.00 3.40 3.53 0.00 5.59 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 0.00 122 E 8.35 4.00 0.00 2.26 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 2.53 2.38 0.00 123 I 7.88 3.61 2.05 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 1.62 0.63 0.65 0.00 0.00 124 V 8.07 3.34 2.17 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 0.52 0.00 0.00 0.99 0.00 0.00 125 R 7.78 3.85 0.00 2.06 1.92 0.00 3.22 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 126 V 7.40 3.78 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 1.18 0.00 0.00 0.93 0.00 0.00 127 K 7.76 3.90 0.00 1.50 1.70 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.12 0.49 7.81 128 T 7.78 4.21 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 1.11 0.00 0.00 129 K 7.70 3.85 0.00 1.86 1.87 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.31 7.81 130 S 7.68 4.71 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.56 4.32 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 1.20 0.00 0.00 132 G 7.63 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 0.00 133 A 8.51 4.23 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 0.00 134 I 8.39 3.68 1.81 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 1.33 0.54 0.46 0.00 0.00 135 K 8.25 4.56 0.00 1.88 1.89 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.32 1.34 7.81 136 V 8.53 3.53 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 1.05 0.00 0.00 1.10 0.00 0.00 137 E 8.29 3.95 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 138 E 8.09 4.08 0.00 1.89 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 2.27 2.25 0.00 139 I 7.07 3.83 1.92 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.61 0.90 0.00 0.00 140 P 0.00 4.43 0.00 2.47 2.07 0.00 3.63 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 2.18 2.11 0.00 141 E 8.84 3.93 0.00 2.03 1.94 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 0.00 2.36 2.38 0.00 142 A 8.00 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.94 4.67 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.77 4.09 0.00 1.90 1.92 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.25 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.50 1.79 7.81 145 E 8.14 4.01 0.00 2.00 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 0.00 2.42 2.32 0.00 146 R 8.07 3.93 0.00 1.94 2.22 0.00 3.23 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 147 F 8.62 4.19 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 0.00 148 I 7.93 3.61 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 0.93 0.00 0.00 149 K 8.20 3.96 0.00 1.94 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 150 A 7.93 4.03 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 0.00 151 E 8.08 3.88 0.00 1.26 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 2.25 2.26 0.00 152 Q 8.09 4.21 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 153 F 8.47 4.53 0.00 3.12 3.09 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 0.00 *155 E 8.24 4.24 0.00 2.22 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 2.29 2.52 0.00 156 Y 7.78 4.00 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.31 2.98 1.47 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 -0.03 0.00 0.00 0.18 0.00 0.00 158 D 7.79 4.14 0.00 2.74 2.68 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 0.00 159 E 7.88 3.84 0.00 1.92 1.81 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 2.24 2.29 0.00 160 K 7.27 4.11 0.00 1.52 1.59 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.42 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.16 0.91 7.81 161 V 7.18 3.94 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 0.56 0.00 0.00 0.82 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.