NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.4588 8.3027 116.7993 55.6812 33.1037 177.2101 6 D 4.2997 8.2816 116.1690 56.4520 41.6071 176.9506 7 W 4.3220 8.5786 128.6219 60.6122 30.9819 176.5321 8 N 4.0828 8.7459 116.5050 56.8576 38.3632 176.6240 9 S 4.0430 7.8020 115.5956 61.6195 62.9379 176.4541 10 Q 3.8834 8.0095 121.5668 58.5699 28.4128 178.9365 11 V 3.3500 7.4499 119.2850 65.8244 31.4842 177.9564 12 I 3.5009 7.6499 119.7346 64.4785 36.9727 177.8856 13 Q 3.9511 8.1636 120.4012 59.3885 28.3142 178.3667 14 E 3.8787 8.2331 120.0032 59.0836 29.7177 178.0995 15 F 4.2407 8.4368 122.5943 60.9352 39.1755 177.3933 16 R 4.4081 8.1628 114.6008 58.0140 30.0674 177.8084 17 A 4.4713 7.6887 119.0743 52.4509 18.1710 176.9253 18 N 4.8835 7.4857 114.4043 52.7766 39.9493 174.6650 19 G 3.9478 9.3041 103.2986 46.6635 0.0000 174.6097 20 G 2.0000 8.2690 103.3813 45.0052 0.0000 174.2892 21 R 4.6229 6.9324 116.8235 53.8936 33.9600 174.8971 22 V 4.6340 8.0098 118.8803 61.2302 35.7465 175.1456 23 G 4.3740 9.6946 119.1734 44.7467 0.0000 172.4463 24 G 3.8118 8.6291 110.5558 46.6310 0.0000 176.1623 25 N 4.2592 8.8458 119.7800 55.3682 38.6416 175.4076 26 F 4.8664 7.9546 115.7070 56.8455 39.7365 175.1465 27 E 4.2240 7.5403 122.0231 57.2212 29.4539 177.4583 28 G 3.9748 9.0667 113.5574 45.5313 0.0000 173.0884 29 A 4.9520 7.7235 121.6495 49.8196 19.7517 175.4404 30 P 4.2752 0.0000 0.0000 61.8169 32.4369 176.1850 *32 V 4.1397 7.9092 117.6557 61.8704 33.0861 174.4612 33 L 4.4337 7.7750 123.7083 53.3379 43.1939 175.4711 34 V 4.2514 8.2166 125.0854 61.5618 33.6429 174.0836 35 H 5.2679 9.0479 126.0439 54.7559 30.5298 174.0169 36 H 5.1699 9.1316 118.1492 53.9963 32.7825 172.1365 37 V 4.7295 8.2791 117.4825 60.4930 34.6332 174.7088 38 G 3.9352 9.0002 115.2831 46.6909 0.0000 174.4574 39 R 4.2592 9.4442 124.2176 57.9208 29.7309 177.6844 40 K 4.4092 8.0422 116.8389 57.7827 33.9170 177.3546 41 T 4.0252 7.9421 107.3350 62.1152 69.3104 175.8835 42 G 3.8623 8.4443 109.3286 45.2053 0.0000 172.6028 43 K 4.4486 7.9190 122.0059 54.6920 33.5386 175.9656 44 A 4.6508 8.6362 129.1736 52.4101 19.2714 175.9942 45 A 4.6510 9.1771 122.0449 50.5561 23.7773 175.2363 46 V 4.6095 8.1030 117.7726 61.6447 34.4038 174.5821 47 T 4.7099 8.7009 124.9613 60.9381 71.2831 171.8155 48 P 5.0361 0.0000 0.0000 61.9534 32.3745 175.2645 *51 Y 4.8895 8.2386 119.6988 57.1097 39.6990 173.5560 52 L 4.9565 8.9748 121.9809 52.4217 44.4877 173.9618 53 P 4.9225 0.0000 0.0000 62.6607 32.2888 176.1017 54 S 4.5496 8.3091 117.4162 58.9113 62.3093 174.1715 55 D 4.6287 9.1907 126.1818 56.0929 41.2221 176.7176 56 D 4.6707 8.1320 117.6180 54.8488 42.4953 175.8933 57 D 4.6052 8.4995 118.7262 51.4193 43.2180 172.7601 58 P 4.4274 0.0000 0.0000 64.2124 31.9147 177.1471 59 G 3.8370 8.9772 110.1010 45.1944 0.0000 172.5485 60 T 5.0223 7.6205 117.2516 61.6824 70.8910 173.8007 61 I 4.8003 8.2539 118.4508 59.1921 41.5998 173.6078 62 Y 5.2872 8.9173 120.6281 56.4457 40.7599 175.4621 63 V 4.8304 8.7691 116.0219 59.5023 36.0487 174.5412 64 F 5.2264 8.9914 119.8126 55.1983 41.4052 176.3556 65 A 4.4133 8.9027 131.1683 51.1624 15.5391 177.5217 66 S 4.2553 8.4900 119.3594 59.1214 64.6452 175.6353 67 K 3.7693 8.9601 120.3061 57.3317 30.3197 174.1823 68 A 2.5800 8.3861 113.6491 52.5415 16.1669 178.5058 69 G 3.7508 7.7184 104.5600 47.6187 0.0000 174.9276 70 A 4.0916 7.6322 122.3475 51.3182 18.9207 179.5874 71 A 4.2489 8.5158 122.3950 54.3529 18.6804 178.3184 72 S 4.8642 6.9852 109.8439 56.2309 65.7610 173.9361 73 N 4.2786 8.4753 119.9170 52.6007 38.9892 173.5879 74 P 4.3989 0.0000 0.0000 62.0878 32.6196 177.0728 75 A 4.1873 8.8246 122.0396 55.4155 18.1320 180.1326 76 W 4.2589 8.2398 114.5686 59.7669 28.0198 177.5778 77 Y 3.8082 6.7932 120.1014 60.9225 38.0882 178.0070 78 Y 3.7800 7.5081 118.1269 60.1146 38.0761 177.6826 79 N 4.4255 8.3255 117.6561 56.2571 38.5868 177.5000 80 L 4.0186 8.3400 120.9649 58.0977 41.6181 179.7244 81 T 3.8528 7.7321 109.5492 64.6569 68.4360 177.0401 82 T 3.9154 7.6578 117.9581 66.5667 68.6524 176.3431 83 A 4.1389 7.9981 122.8929 53.3550 18.4639 179.3859 84 G 4.0689 9.7504 106.4383 45.5881 0.0000 173.0360 85 T 4.9793 7.1306 105.8584 60.5975 72.1488 172.6453 86 A 4.5418 8.2557 121.8824 51.6540 22.9588 174.6568 87 Q 4.8706 8.2225 114.5810 54.7421 32.8169 175.5652 88 V 4.7382 8.5629 116.9714 59.6375 36.7003 173.9843 89 E 4.9706 8.6820 122.9131 54.8142 31.6981 175.3582 90 V 4.7897 8.4394 124.0526 61.0087 35.1225 174.7834 91 G 3.6732 9.1366 116.3973 47.5184 0.0000 174.1853 92 T 4.4035 8.7091 114.3924 61.1463 69.2079 173.7546 93 E 4.8796 8.2652 122.2509 55.4143 32.5105 174.9645 94 T 5.1981 8.4013 117.9252 62.0601 71.9091 172.8380 95 Y 4.9730 8.3647 122.9198 55.4157 42.1127 174.0064 96 A 4.6841 8.6803 121.8003 52.0773 20.1330 176.6810 97 V 4.8585 8.8866 119.9880 61.1074 35.6266 174.7509 98 G 4.3183 9.1771 113.7862 45.4394 0.0000 172.5038 99 V 5.0740 8.6589 123.5731 61.0575 33.4394 175.0988 100 T 4.7800 8.6673 117.1091 59.8168 72.3767 172.2870 101 E 4.7007 8.8182 124.6180 55.5843 30.7196 175.3605 102 V 4.4824 8.6770 127.7116 61.7983 33.0984 174.8891 103 T 4.7081 7.9974 115.7837 60.2973 73.0642 174.1396 104 G 3.9245 8.4705 108.4561 46.5370 0.0000 175.7903 105 E 3.9412 8.8889 118.5191 59.6613 29.5128 178.4231 106 D 4.3606 8.1783 118.3235 57.4736 40.8739 178.8494 107 R 3.8522 7.7155 118.9254 59.7319 30.1559 178.2368 108 D 4.5010 8.1173 118.6021 57.3076 40.7740 178.9929 109 R 3.8717 8.3404 119.4345 59.5418 30.1911 178.6416 110 I 3.6799 7.8228 119.6601 64.4541 36.9899 177.8081 111 Y 4.0104 8.7403 120.6276 60.9530 38.7005 178.1400 112 S 4.1934 8.6232 116.4893 61.7821 62.9194 176.4802 113 E 3.9021 8.3508 121.8719 59.1204 29.2943 178.5468 114 Q 3.6260 7.8535 119.4109 59.1323 28.9367 178.3369 115 A 4.1270 7.8541 121.7487 54.8014 18.1140 179.5591 116 R 3.7633 7.7895 116.7941 59.8438 30.2558 178.7556 117 R 4.0884 7.6770 116.4425 57.7879 31.0550 176.3016 118 Y 4.5412 8.1377 116.5052 54.7767 39.5013 173.8659 119 P 5.2369 0.0000 0.0000 63.3993 31.6711 177.8074 120 G 3.5378 8.2355 105.1456 48.0242 0.0000 175.4976 121 F 3.4762 8.4531 119.5224 59.9178 38.7932 177.5917 122 A 4.1642 7.9101 120.5682 55.1196 18.0856 179.0985 123 D 4.2688 7.9361 116.1140 57.6889 41.3237 177.7602 124 Y 4.4302 7.7084 117.2096 61.4942 37.6688 178.7567 125 E 4.1163 7.8948 119.7655 58.7135 29.6940 179.1985 126 K 4.1243 8.1184 118.6991 59.3440 31.8795 179.3252 127 K 4.0305 8.2314 119.4867 58.8436 32.3230 177.9856 128 T 4.3802 7.9033 107.9787 60.2890 69.1300 174.2984 129 A 3.8728 7.0155 126.5291 53.9111 18.6246 178.2605 130 G 3.9953 9.0943 111.4875 45.5129 0.0000 173.0880 131 I 4.3028 7.9344 117.9055 62.1013 39.2057 175.9038 132 R 4.5135 7.4493 117.3681 55.1039 32.8919 174.0223 133 T 4.1842 8.2972 121.9574 62.3086 69.1001 174.5630 134 I 3.7439 8.1419 128.0513 60.9465 37.6654 174.5435 135 P 4.4196 0.0000 0.0000 62.4070 32.8435 175.3584 136 V 4.8260 8.3694 121.6545 61.1683 34.3811 174.1063 137 L 5.3345 8.8894 127.0409 52.9709 45.1834 175.0575 138 A 4.9814 9.1673 124.6252 50.6796 21.2138 176.0549 139 L 4.8065 8.9984 123.5597 53.5394 43.9335 175.6249 140 T 4.8958 8.6542 122.3619 61.2320 70.6194 174.5009 141 R 4.5863 8.8708 128.7659 56.9148 30.6901 176.4535 142 T 4.2795 8.7000 116.1407 61.8059 68.4946 174.0017 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 5 E 8.30 4.46 0.00 1.91 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 0.00 2.21 1.88 0.00 6 D 8.28 4.30 0.00 2.89 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 7 W 8.58 4.32 0.00 3.45 3.30 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 8 N 8.75 4.08 0.00 3.20 2.90 0.00 0.00 6.87 7.63 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 9 S 7.80 4.04 0.00 4.01 4.10 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 10 Q 8.01 3.88 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 11 V 7.45 3.35 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 0.76 0.00 0.00 -0.19 0.00 0.00 12 I 7.65 3.50 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.37 0.83 0.00 0.00 13 Q 8.16 3.95 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 14 E 8.23 3.88 0.00 2.14 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 2.31 2.31 0.00 15 F 8.44 4.24 0.00 3.12 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 16 R 8.16 4.41 0.00 2.14 2.03 0.00 3.23 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 17 A 7.69 4.47 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 18 N 7.49 4.88 0.00 2.94 2.68 0.00 0.00 6.80 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.30 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 20 G 8.27 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 6.93 4.62 0.00 1.89 1.72 0.00 3.01 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 22 V 8.01 4.63 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 1.21 0.00 0.00 1.00 0.00 0.00 23 G 9.69 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 0.00 0.00 0.00 0.00 24 G 8.63 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 25 N 8.85 4.26 0.00 2.30 2.54 0.00 0.00 6.69 7.45 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 26 F 7.95 4.87 0.00 3.37 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 27 E 7.54 4.22 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 2.38 2.44 0.00 28 G 9.07 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 29 A 7.72 4.95 1.24 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 0.00 0.00 0.00 30 P 0.00 4.28 0.00 0.82 1.13 0.00 3.53 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 *32 V 7.91 4.14 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 0.74 0.00 0.00 0.71 0.00 0.00 33 L 7.77 4.43 0.00 1.14 1.20 0.41 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.22 4.25 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.57 0.00 0.00 35 H 9.05 5.27 0.00 3.20 3.17 0.00 5.81 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 36 H 9.13 5.17 0.00 3.27 3.37 0.00 5.40 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.28 4.73 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 0.83 0.00 0.00 0.94 0.00 0.00 38 G 9.00 3.94 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 0.00 0.00 0.00 39 R 9.44 4.26 0.00 1.94 2.13 0.00 3.03 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.62 0.00 40 K 8.04 4.41 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.36 7.81 41 T 7.94 4.03 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 1.22 0.00 0.00 42 G 8.44 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.92 4.45 0.00 1.87 1.69 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 44 A 8.64 4.65 1.21 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 0.00 0.00 45 A 9.18 4.65 1.04 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 0.00 0.00 46 V 8.10 4.61 1.92 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 0.54 0.00 0.00 0.58 0.00 0.00 47 T 8.70 4.71 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 1.21 0.00 0.00 48 P 0.00 5.04 0.00 1.73 1.73 0.00 3.48 0.00 0.00 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.52 0.00 *51 Y 8.24 4.89 0.00 3.18 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 52 L 8.97 4.96 0.00 2.06 2.01 0.98 1.08 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 53 P 0.00 4.92 0.00 2.25 2.33 0.00 3.91 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 54 S 8.31 4.55 0.00 3.74 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 55 D 9.19 4.63 0.00 2.79 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 56 D 8.13 4.67 0.00 2.70 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 57 D 8.50 4.61 0.00 2.60 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.43 0.00 2.04 1.95 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 59 G 8.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.62 5.02 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 61 I 8.25 4.80 1.65 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.80 0.54 0.00 0.00 62 Y 8.92 5.29 0.00 3.02 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 63 V 8.77 4.83 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.01 0.00 0.00 64 F 8.99 5.23 0.00 3.34 3.41 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 65 A 8.90 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.49 4.26 0.00 3.99 4.63 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 67 K 8.96 3.77 0.00 1.83 1.71 0.00 1.84 0.00 0.00 1.97 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.40 7.81 68 A 8.39 2.58 1.08 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 69 G 7.72 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 70 A 7.63 4.09 1.24 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 0.00 0.00 0.00 71 A 8.52 4.25 1.27 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 72 S 6.99 4.86 0.00 3.91 3.77 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 73 N 8.48 4.28 0.00 2.80 2.33 0.00 0.00 6.99 8.02 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 74 P 0.00 4.40 0.00 1.65 2.05 0.00 3.19 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.42 0.00 75 A 8.82 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.24 4.26 0.00 3.27 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 77 Y 6.79 3.81 0.00 2.02 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 78 Y 7.51 3.78 0.00 3.08 2.95 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 79 N 8.33 4.43 0.00 3.09 3.12 0.00 0.00 6.97 6.90 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 80 L 8.34 4.02 0.00 1.88 1.76 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.73 3.85 4.05 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 0.86 0.00 0.00 82 T 7.66 3.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 83 A 8.00 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 9.75 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 85 T 7.13 4.98 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 86 A 8.26 4.54 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.22 4.87 0.00 2.05 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.67 0.00 0.00 0.00 0.00 0.00 1.87 2.22 0.00 88 V 8.56 4.74 1.71 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 0.46 0.00 0.00 0.06 0.00 0.00 89 E 8.68 4.97 0.00 1.59 1.95 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 2.18 2.12 0.00 90 V 8.44 4.79 2.23 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 0.93 0.00 0.00 0.69 0.00 0.00 91 G 9.14 3.67 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 0.00 0.00 0.00 92 T 8.71 4.40 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 1.18 0.00 0.00 93 E 8.27 4.88 0.00 2.27 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 2.30 2.32 0.00 94 T 8.40 5.20 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 95 Y 8.36 4.97 0.00 2.91 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 96 A 8.68 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.89 4.86 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 0.97 0.00 0.00 1.08 0.00 0.00 98 G 9.18 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 0.00 0.00 0.00 0.00 99 V 8.66 5.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.94 0.00 0.00 100 T 8.67 4.78 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 0.00 101 E 8.82 4.70 0.00 2.07 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 2.32 2.60 0.00 102 V 8.68 4.48 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 0.84 0.00 0.00 1.05 0.00 0.00 103 T 8.00 4.71 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 1.24 0.00 0.00 104 G 8.47 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.89 3.94 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 2.41 2.36 0.00 106 D 8.18 4.36 0.00 2.85 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 0.00 107 R 7.72 3.85 0.00 1.92 2.16 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 108 D 8.12 4.50 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 0.00 109 R 8.34 3.87 0.00 1.98 2.20 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 110 I 7.82 3.68 1.72 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.47 0.66 0.00 0.00 111 Y 8.74 4.01 0.00 3.25 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 0.00 112 S 8.62 4.19 0.00 3.89 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 0.00 113 E 8.35 3.90 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 114 Q 7.85 3.63 0.00 1.41 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 115 A 7.85 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.79 3.76 0.00 1.98 2.04 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 117 R 7.68 4.09 0.00 1.86 1.52 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 118 Y 8.14 4.54 0.00 3.19 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 P 0.00 5.24 0.00 2.13 2.07 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 120 G 8.24 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.45 3.48 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.91 4.16 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 0.00 123 D 7.94 4.27 0.00 2.73 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 0.00 124 Y 7.71 4.43 0.00 3.27 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 0.00 125 E 7.89 4.12 0.00 2.07 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 2.09 2.28 0.00 126 K 8.12 4.12 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 127 K 8.23 4.03 0.00 1.88 2.08 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.45 7.81 128 T 7.90 4.38 4.35 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 1.29 0.00 0.00 129 A 7.02 3.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 4.30 1.97 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 1.17 0.84 0.93 0.00 0.00 132 R 7.45 4.51 0.00 1.67 1.69 0.00 3.39 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 133 T 8.30 4.18 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 1.13 0.00 0.00 134 I 8.14 3.74 1.82 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.45 1.31 0.00 0.00 135 P 0.00 4.42 0.00 1.58 1.79 0.00 3.34 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 0.73 1.44 0.00 136 V 8.37 4.83 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 0.83 0.00 0.00 1.19 0.00 0.00 137 L 8.89 5.33 0.00 1.78 1.63 1.16 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 A 9.17 4.98 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 0.00 139 L 9.00 4.81 0.00 1.43 1.53 0.80 0.56 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 0.00 140 T 8.65 4.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 141 R 8.87 4.59 0.00 1.61 1.65 0.00 2.21 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.32 0.00 142 T 8.70 4.28 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 * Residues marked with a * may have inaccurate shift predictions.