NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4222 8.3193 115.4115 58.3358 64.1923 173.1711 10 D 4.6304 8.4811 119.6785 53.3751 39.5336 174.7261 11 M 4.2513 8.3627 121.5331 54.2163 33.8083 175.5921 12 P 4.7330 0.0000 0.0000 63.6032 32.5344 175.5886 13 V 5.0991 8.8886 122.3191 60.6473 35.5713 173.8139 14 A 4.7157 8.8405 122.4118 51.5667 23.2304 175.2387 15 H 4.8765 9.5069 122.7384 54.7305 31.3034 172.8888 16 V 4.6157 8.5863 117.7754 60.2879 33.8685 174.9844 17 V 5.4516 8.6657 114.2356 59.4291 36.3471 175.0028 18 A 4.0929 8.4015 124.5964 51.6952 19.2474 177.2202 19 N 4.2430 8.5987 121.2417 52.8510 39.0769 174.2167 20 P 4.2498 0.0000 0.0000 65.0348 31.8794 177.9621 21 Q 4.1398 8.0847 116.5257 58.1141 29.7570 177.2018 22 A 4.3530 7.4454 120.4542 51.6896 16.3771 177.0658 23 E 4.2954 7.6881 120.0575 57.5040 30.6979 177.4911 24 G 4.0563 9.6150 109.6901 45.1132 0.0000 172.8397 25 Q 4.5489 7.5179 115.1753 54.1848 31.6571 174.9215 26 L 4.1139 8.1437 120.1871 52.9993 42.0078 173.8039 27 Q 4.4954 7.6237 126.0308 53.4972 30.9685 174.1930 28 W 4.9899 8.8365 127.6840 56.8290 29.9405 175.8573 29 L 5.0514 9.6628 124.0729 53.1155 44.5899 176.8901 30 N 4.8849 8.6343 114.0444 53.5387 39.5748 175.8401 31 R 4.3453 7.9339 118.6751 56.2596 29.6673 176.0296 32 R 4.7015 7.5089 115.3250 53.6586 34.3227 175.4573 33 A 4.1643 8.4853 122.7239 53.9624 18.7691 177.2927 34 N 4.2255 8.9260 116.7068 53.9361 36.2349 173.7658 35 A 5.1674 7.7056 118.5974 50.2784 21.9939 176.9075 36 L 4.7377 8.5490 118.6489 53.1818 46.0691 176.2720 37 L 4.9236 8.5093 124.7135 54.3024 43.3057 173.7948 38 A 4.6237 9.0404 126.1109 50.3680 23.5393 174.8904 39 N 4.2890 9.5069 113.2235 54.9787 35.6710 175.4166 40 G 4.0804 8.5667 107.3117 45.5300 0.0000 175.1509 41 V 3.8867 7.6163 119.7210 63.1578 31.9152 175.3801 42 E 4.6541 8.6148 126.9967 54.7557 32.7014 174.8540 43 L 4.9585 8.4539 123.8047 53.1497 42.6615 174.8481 44 R 4.5884 8.6032 122.7575 55.2206 32.8539 176.2754 45 D 4.3227 9.6111 120.1828 55.6809 38.4341 173.5025 46 N 4.4804 8.3899 110.5547 54.5224 37.9829 172.8136 47 Q 4.9469 8.2113 113.9301 53.6475 33.6691 173.9969 48 L 4.7772 8.8313 121.9854 53.6992 43.4566 175.8406 49 V 4.5055 8.4940 124.8323 60.8522 33.1817 175.1276 50 V 3.7046 8.0711 129.2665 62.8039 31.7051 174.9950 51 P 4.5050 0.0000 0.0000 64.0994 32.1887 175.6863 52 S 4.6289 7.1646 108.4598 56.8177 65.7767 174.0876 53 E 5.0696 8.1237 122.0621 55.7180 30.1538 175.9120 54 G 4.4554 8.4655 110.7732 43.2681 0.0000 171.9986 55 L 4.6664 7.9328 120.7248 54.8846 42.9280 176.0402 56 Y 5.1385 9.1180 120.2917 56.0671 42.3303 174.2164 57 L 4.8409 8.8545 126.0056 54.5347 43.6143 175.2173 58 I 5.1880 9.3161 127.8449 59.8123 39.6817 174.3438 59 Y 5.4104 8.3521 123.5837 56.2723 42.1675 173.6116 60 S 4.8044 8.2622 110.8699 57.7155 66.7276 174.5038 61 Q 5.4120 7.5647 127.4297 53.3491 32.0350 174.3972 62 V 4.6123 8.1919 117.4776 59.2802 36.1821 174.2604 63 L 4.9761 8.0730 124.7716 53.4672 44.5798 175.4099 64 F 5.7746 9.5885 126.1136 56.6169 40.8841 175.1473 65 S 3.9796 8.1951 114.1353 57.3616 65.7182 173.0790 66 G 3.4014 6.1008 106.6876 45.3216 0.0000 173.7333 67 Q 4.0550 8.6961 120.9168 57.4015 29.7087 175.1038 68 G 4.2147 7.8236 103.5589 44.4992 0.0000 171.8244 69 C 4.9229 8.5291 116.5592 54.2448 42.5910 172.7662 70 P 4.2688 0.0000 0.0000 63.4502 29.8503 179.2679 71 S 4.3327 9.0561 121.1786 58.7063 64.2601 175.6702 72 T 4.2250 8.1167 109.1586 63.1882 68.8421 174.2502 73 H 4.9798 7.0443 115.2094 55.1089 29.8046 171.7330 74 V 3.8014 7.5943 125.3707 63.0428 32.3928 174.9156 75 L 4.8469 8.3167 126.5188 52.8187 44.4463 175.6447 76 L 4.8936 8.8627 123.3449 52.1050 44.3805 175.6635 77 T 5.1623 8.5673 112.0292 60.2824 72.7947 172.1653 78 H 5.3275 9.3157 122.2773 55.2513 33.7052 172.2215 79 T 5.0142 8.8223 120.9365 62.0576 73.4147 172.7596 80 I 4.7800 8.4978 127.0831 59.7249 39.2936 174.8103 81 S 5.1799 8.7823 122.2463 56.4105 66.2656 172.8819 82 R 4.8507 8.9241 122.2734 54.8586 32.5197 174.9314 83 I 4.8882 8.7413 127.6098 59.6303 38.4975 174.1335 84 A 4.8006 8.3121 130.3464 50.7733 19.7074 178.3203 85 V 3.4288 8.3034 122.9684 66.1343 31.5444 177.0983 86 S 4.4958 7.9791 110.8159 58.3698 63.1736 173.7331 87 Y 4.4278 7.9410 117.3666 58.0232 41.0209 173.5935 88 Q 4.4144 8.0663 129.3934 53.9295 27.7666 175.4388 89 T 4.7548 7.2104 107.2070 59.1919 72.6368 173.6010 90 P 4.4282 0.0000 0.0000 63.5640 32.0976 175.6666 91 V 4.3919 8.8671 124.9053 60.7256 34.3682 174.2133 92 N 4.6197 8.8080 125.4732 53.7892 38.2871 174.7813 93 L 4.1492 8.4905 125.0038 56.7234 42.6584 177.7483 94 L 4.9411 7.4910 117.0886 53.1962 46.1974 175.6395 95 S 5.1678 8.4673 115.5388 57.4255 65.3917 173.2690 96 A 4.8970 9.2266 127.9247 50.4045 22.7475 174.6936 97 I 5.0711 8.2877 119.3588 59.8171 41.1522 174.9371 98 R 4.6759 8.7847 123.2648 55.1702 34.0130 174.1357 99 S 4.7244 8.3866 119.4080 55.9808 63.8510 171.9326 100 P 4.1945 0.0000 0.0000 64.4289 31.3843 177.8799 101 C 4.8551 7.3865 114.1330 55.2304 43.3707 173.6936 102 Q 4.4507 8.5301 117.9916 54.7716 31.6486 174.9208 *111 A 4.2099 7.7075 120.3458 51.9588 19.5685 176.8347 112 N 4.5873 7.8627 118.9488 52.2930 39.8578 174.4172 113 P 4.7503 0.0000 0.0000 62.4441 32.4450 175.6902 114 W 5.3504 8.3554 118.9649 55.0212 31.7293 173.6087 115 Y 5.1504 9.0346 118.5565 56.4599 41.1536 175.0980 116 E 4.7487 9.8133 122.7274 54.5917 33.2975 172.6333 117 P 5.3836 0.0000 0.0000 61.4101 33.4152 175.6217 118 I 4.7915 8.8840 123.8161 59.6724 40.7755 173.7024 119 Y 5.1105 8.8707 127.0378 55.7647 41.2414 174.5368 120 L 4.8804 7.9116 125.6981 53.0263 45.6327 175.8219 121 G 4.9227 8.4152 107.1440 45.7052 0.0000 172.5009 122 G 4.0760 8.3319 109.7444 45.9029 0.0000 171.6409 123 V 4.9816 7.8971 119.7223 61.0864 33.1391 174.8799 124 F 5.0325 9.1818 125.5218 55.7777 43.6618 173.4885 125 Q 4.8299 8.8993 123.2816 55.8299 29.8902 174.8707 126 L 5.1153 8.8060 124.4909 53.1144 46.3345 175.2392 127 E 4.9859 9.2676 120.5948 53.5829 33.2141 173.6012 128 P 4.4525 0.0000 0.0000 66.0363 31.3019 176.3250 129 G 4.0403 9.1775 113.4264 45.1860 0.0000 173.3584 130 D 4.6773 8.2487 120.3493 55.0698 42.2403 175.8506 131 R 5.0234 8.7847 119.7245 54.3811 33.6358 174.6481 132 L 5.3591 8.9102 123.2077 52.9063 45.0889 175.6736 133 S 5.0180 8.8949 116.8663 56.4135 66.6309 172.9206 134 A 4.8624 8.4939 123.8937 50.3646 20.4454 175.0103 135 E 4.9939 9.1564 120.7457 55.2678 33.8422 175.3723 136 I 5.3988 8.5043 113.9980 58.1634 40.2873 174.9350 137 N 4.5763 8.5173 119.3712 54.3502 38.7775 174.9375 138 R 5.0380 7.8023 117.9808 53.4904 30.8489 173.6394 139 P 4.3179 0.0000 0.0000 65.0723 31.9850 178.3129 140 D 4.3280 8.0769 116.0536 55.2618 39.5627 176.0983 141 Y 4.7886 8.1168 117.6999 57.8201 39.2731 175.4101 142 L 4.0328 7.9970 120.6789 54.5566 42.4828 176.0425 143 D 4.3898 8.2335 122.8455 52.2881 42.7050 175.5343 144 F 5.0632 8.1176 123.3133 57.3063 39.8622 176.2336 145 A 4.1921 8.3716 125.8735 54.9760 18.0634 178.4572 146 E 4.8187 7.8333 111.8019 54.0641 32.9286 175.8772 147 S 4.3902 8.3786 115.1081 59.0274 63.9455 175.1575 148 G 3.9824 8.7674 107.2535 46.2603 0.0000 174.4240 149 Q 4.4313 7.8678 118.5951 56.9690 29.5900 176.2818 150 V 4.8746 7.8595 117.7341 61.2512 34.6425 174.1562 151 Y 5.5044 8.9023 124.9866 56.4040 42.1615 173.4180 152 F 5.1963 9.0938 122.1170 56.7738 42.8459 173.3422 153 G 3.7374 8.8348 112.5973 43.8813 0.0000 171.3829 154 I 5.2344 8.4750 115.8181 58.9353 41.5042 173.9275 155 I 5.0444 8.7530 124.0387 59.2113 41.7683 173.8811 156 A 3.6723 8.5705 131.4173 51.1396 18.5388 177.4352 157 L 4.1498 8.0810 121.4081 55.5822 41.4275 177.3944 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 9 S 8.32 4.42 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.48 4.63 0.00 2.88 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 11 M 8.36 4.25 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 12 P 0.00 4.73 0.00 2.21 2.11 0.00 3.51 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 2.19 2.29 0.00 13 V 8.89 5.10 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 0.66 0.00 0.00 0.97 0.00 0.00 14 A 8.84 4.72 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 15 H 9.51 4.88 0.00 3.28 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.59 4.62 2.36 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 0.61 0.00 0.00 0.67 0.00 0.00 17 V 8.67 5.45 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 0.90 0.00 0.00 1.02 0.00 0.00 18 A 8.40 4.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.60 4.24 0.00 2.79 2.49 0.00 0.00 7.04 8.44 0.00 0.00 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 P 0.00 4.25 0.00 2.07 2.13 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 21 Q 8.08 4.14 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.55 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 22 A 7.45 4.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.69 4.30 0.00 2.12 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 2.48 2.33 0.00 24 G 9.62 4.06 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 0.00 0.00 0.00 25 Q 7.52 4.55 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 26 L 8.14 4.11 0.00 1.41 1.40 -0.11 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.62 4.50 0.00 2.02 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 28 W 8.84 4.99 0.00 3.29 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 29 L 9.66 5.05 0.00 1.57 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.63 4.88 0.00 2.78 2.89 0.00 0.00 6.07 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 31 R 7.93 4.35 0.00 1.84 1.99 0.00 3.32 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 32 R 7.51 4.70 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 33 A 8.49 4.16 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 34 N 8.93 4.23 0.00 2.91 2.93 0.00 0.00 6.78 7.35 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 35 A 7.71 5.17 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 36 L 8.55 4.74 0.00 1.70 1.53 0.94 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.51 4.92 0.00 1.57 1.53 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.04 4.62 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.51 4.29 0.00 3.02 2.96 0.00 0.00 7.20 7.65 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 40 G 8.57 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 41 V 7.62 3.89 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 0.71 0.00 0.00 0.95 0.00 0.00 42 E 8.61 4.65 0.00 1.88 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 2.42 2.36 0.00 43 L 8.45 4.96 0.00 1.58 1.56 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.60 4.59 0.00 1.89 1.79 0.00 3.32 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 45 D 9.61 4.32 0.00 2.76 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 46 N 8.39 4.48 0.00 2.89 2.99 0.00 0.00 7.03 7.08 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 47 Q 8.21 4.95 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 48 L 8.83 4.78 0.00 1.35 1.34 -0.24 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 49 V 8.49 4.51 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 0.89 0.00 0.00 0.91 0.00 0.00 50 V 8.07 3.70 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 0.70 0.00 0.00 0.52 0.00 0.00 51 P 0.00 4.50 0.00 2.23 2.26 0.00 3.71 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 2.01 2.19 0.00 52 S 7.16 4.63 0.00 4.07 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 53 E 8.12 5.07 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 2.34 2.52 0.00 54 G 8.47 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.93 4.67 0.00 1.58 1.61 0.91 0.75 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 56 Y 9.12 5.14 0.00 3.09 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 57 L 8.85 4.84 0.00 1.88 1.67 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.32 5.19 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.96 0.00 0.00 59 Y 8.35 5.41 0.00 3.04 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.26 4.80 0.00 3.84 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.56 5.41 0.00 2.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.50 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 62 V 8.19 4.61 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.61 0.00 0.00 63 L 8.07 4.98 0.00 1.77 1.50 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.59 5.77 0.00 3.19 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 65 S 8.20 3.98 0.00 2.72 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 66 G 6.10 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 0.00 0.00 0.00 67 Q 8.70 4.05 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 68 G 7.82 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 0.00 0.00 0.00 0.00 69 C 8.53 4.92 0.00 2.91 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 70 P 0.00 4.27 0.00 2.08 1.86 0.00 3.72 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 2.18 2.18 0.00 71 S 9.06 4.33 0.00 3.87 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 72 T 8.12 4.23 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 1.16 0.00 0.00 73 H 7.04 4.98 0.00 3.21 3.26 0.00 5.55 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.59 3.80 1.74 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 0.66 0.00 0.00 0.85 0.00 0.00 75 L 8.32 4.85 0.00 1.45 1.44 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.86 4.89 0.00 0.95 0.23 0.45 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.57 5.16 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 1.19 0.00 0.00 78 H 9.32 5.33 0.00 3.41 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.82 5.01 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 1.27 0.00 0.00 80 I 8.50 4.78 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.72 0.92 0.00 0.00 81 S 8.78 5.18 0.00 3.84 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 82 R 8.92 4.85 0.00 1.67 1.69 0.00 2.94 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 83 I 8.74 4.89 1.87 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 1.17 0.77 0.92 0.00 0.00 84 A 8.31 4.80 1.33 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 0.00 0.00 85 V 8.30 3.43 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 0.81 0.00 0.00 0.93 0.00 0.00 86 S 7.98 4.50 0.00 4.09 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 87 Y 7.94 4.43 0.00 2.85 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 88 Q 8.07 4.41 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 89 T 7.21 4.75 4.29 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 1.18 0.00 0.00 90 P 0.00 4.43 0.00 1.96 2.07 0.00 3.63 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 2.04 2.11 0.00 91 V 8.87 4.39 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 0.90 0.00 0.00 1.02 0.00 0.00 92 N 8.81 4.62 0.00 2.63 2.75 0.00 0.00 7.11 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 93 L 8.49 4.15 0.00 1.26 0.60 0.10 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.49 4.94 0.00 1.52 1.52 1.07 0.99 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 95 S 8.47 5.17 0.00 3.83 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 96 A 9.23 4.90 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 97 I 8.29 5.07 1.85 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 1.22 0.72 0.94 0.00 0.00 98 R 8.78 4.68 0.00 1.88 1.62 0.00 3.07 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 99 S 8.39 4.72 0.00 3.72 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 0.00 100 P 0.00 4.19 0.00 0.49 0.82 0.00 3.26 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.43 0.00 101 C 7.39 4.86 0.00 2.61 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.53 4.45 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 *111 A 7.71 4.21 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 0.00 112 N 7.86 4.59 0.00 2.80 2.84 0.00 0.00 7.24 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 0.00 113 P 0.00 4.75 0.00 2.08 1.94 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 114 W 8.36 5.35 0.00 3.38 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 0.00 115 Y 9.03 5.15 0.00 2.84 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 0.00 116 E 9.81 4.75 0.00 2.18 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 2.58 2.45 0.00 117 P 0.00 5.38 0.00 2.06 2.09 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 118 I 8.88 4.79 2.09 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 1.27 1.52 1.07 0.00 0.00 119 Y 8.87 5.11 0.00 3.03 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 0.00 120 L 7.91 4.88 0.00 1.45 1.46 0.64 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.42 4.92 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 0.00 122 G 8.33 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 0.00 123 V 7.90 4.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.90 0.00 0.00 124 F 9.18 5.03 0.00 3.07 2.86 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 0.00 125 Q 8.90 4.83 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 126 L 8.81 5.12 0.00 1.41 1.31 0.45 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.27 4.99 0.00 2.00 1.83 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 2.24 2.42 0.00 128 P 0.00 4.45 0.00 1.94 2.05 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 129 G 9.18 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 0.00 0.00 0.00 130 D 8.25 4.68 0.00 2.65 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 0.00 131 R 8.78 5.02 0.00 1.72 1.78 0.00 3.06 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 132 L 8.91 5.36 0.00 1.55 1.71 0.74 0.83 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 0.00 133 S 8.89 5.02 0.00 3.96 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 0.00 134 A 8.49 4.86 0.20 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 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.16 4.99 0.00 1.92 1.83 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 2.25 2.22 0.00 136 I 8.50 5.40 2.19 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 1.08 1.19 1.03 0.00 0.00 137 N 8.52 4.58 0.00 2.89 3.13 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 0.00 138 R 7.80 5.04 0.00 2.01 2.10 0.00 3.36 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 139 P 0.00 4.32 0.00 2.43 2.12 0.00 3.62 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 140 D 8.08 4.33 0.00 2.52 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 0.00 141 Y 8.12 4.79 0.00 3.40 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.00 4.03 0.00 1.45 0.65 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.23 4.39 0.00 2.48 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 0.00 144 F 8.12 5.06 0.00 3.06 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 0.00 145 A 8.37 4.19 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 0.00 146 E 7.83 4.82 0.00 2.24 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 2.23 2.28 0.00 147 S 8.38 4.39 0.00 4.07 4.06 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 0.00 148 G 8.77 3.98 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 0.00 0.00 0.00 149 Q 7.87 4.43 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 150 V 7.86 4.87 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.99 0.00 0.00 151 Y 8.90 5.50 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 9.09 5.20 0.00 1.51 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 0.00 153 G 8.83 3.74 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 0.00 0.00 0.00 154 I 8.48 5.23 1.85 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.90 0.47 0.00 0.00 155 I 8.75 5.04 1.95 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 1.16 1.43 1.03 0.00 0.00 156 A 8.57 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.08 4.15 0.00 1.48 1.54 0.92 0.68 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 * Residues marked with a * may have inaccurate shift predictions.