NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.1143 8.2649 122.4443 51.1439 20.5044 176.1083 5 V 4.0895 7.7119 107.1607 59.2104 33.6117 172.9341 6 L 4.8475 9.3063 126.3406 53.6875 43.9469 175.4418 7 T 4.3237 8.9234 120.5872 64.9805 70.2997 174.5885 8 G 4.0707 7.3538 105.3259 45.7110 0.0000 171.5820 9 V 4.5644 8.2765 118.9094 61.0814 33.3528 175.0909 10 A 4.7064 8.6687 130.1701 51.3573 20.5256 175.9405 11 T 5.1621 8.2583 108.7283 60.0840 72.1987 172.8219 12 D 4.8604 9.4679 123.8184 52.1500 44.9244 175.2521 13 K 4.9129 8.6547 124.2038 56.7341 33.8553 176.7394 14 S 4.5939 8.4110 114.1904 59.0492 63.6223 172.9282 15 E 5.2579 7.8946 119.5639 54.7820 32.6661 174.8706 16 A 5.0163 8.7803 123.1454 50.0244 22.8603 175.4428 17 K 4.8715 8.6740 118.2996 54.9707 35.6426 175.2310 18 V 4.7022 7.8806 122.7992 61.2720 34.6378 174.1949 19 T 4.8489 8.4567 123.2871 61.7188 71.9408 173.0486 20 V 4.0749 8.4773 127.3001 61.7538 32.8061 174.5275 21 L 4.6999 8.6501 129.0784 53.7839 43.5938 177.2768 22 G 3.8204 8.8415 111.3927 46.5717 0.0000 172.9250 23 I 4.1946 7.6325 119.5772 59.6902 39.6349 175.3822 24 S 4.5739 8.8051 125.1337 58.3110 63.2623 174.5787 25 D 4.7539 8.4902 128.9236 54.2531 38.3355 176.3168 26 K 4.7763 7.5281 121.8299 51.4332 36.0986 175.6416 27 P 4.3650 0.0000 0.0000 64.7889 31.4629 176.8363 28 G 4.0638 9.0541 110.1076 45.4598 0.0000 174.8346 29 E 4.2287 7.6192 117.4623 58.3808 30.1645 178.5810 30 A 4.1707 8.1510 120.7112 54.5731 18.7150 178.8206 31 A 4.0424 8.1668 118.9847 55.6954 17.8700 179.6304 32 K 3.8510 7.7238 115.1820 59.9555 31.8955 179.7194 33 V 3.5722 7.8039 118.2213 65.3891 31.2942 177.5533 34 F 4.2918 7.7820 116.1021 58.8475 39.5416 178.0072 35 R 3.9026 8.3146 118.7788 59.0640 29.9706 178.2280 36 A 3.9842 7.6696 119.5261 55.3862 18.3630 179.7195 37 L 3.9896 7.5393 116.7502 57.4880 41.6042 179.6344 38 A 3.9846 8.1518 121.1329 55.3751 18.2066 179.3568 39 D 4.4494 8.5930 115.4413 56.2867 41.0255 177.7243 40 A 4.3780 7.6766 119.1300 51.0228 19.2700 176.5597 41 E 3.7144 7.8812 115.8091 57.3414 27.5208 174.4712 42 I 4.0823 8.0376 120.0152 60.2291 38.0143 175.4847 43 N 4.6648 8.6655 124.9234 52.0344 38.4481 173.9517 44 I 4.1097 7.9672 119.1802 61.1041 39.1832 173.2948 45 D 4.7315 9.0333 120.1069 55.5751 43.0264 176.1711 46 M 4.3887 7.6636 116.4596 55.4647 34.2386 176.2775 47 V 4.9050 8.2295 121.4329 61.5920 34.6670 174.0011 48 L 4.8993 9.4219 128.3351 52.9649 44.9075 175.5982 49 Q 4.7576 8.4951 123.7945 54.8416 31.8704 174.1303 50 N 4.7398 8.6658 125.5229 52.2345 40.9932 174.1574 51 V 3.9460 8.3880 112.9896 60.7010 32.2034 176.8849 52 S 4.5056 8.3332 118.1266 57.8421 64.0472 174.2786 53 S 4.3645 8.2257 116.3313 58.1025 63.6299 175.6930 54 V 3.6420 8.2682 121.8367 66.0524 31.5355 177.4536 55 E 4.1880 8.1708 117.8464 58.3105 29.7596 176.9910 56 D 4.6916 7.9583 115.6716 54.4207 43.1412 177.3135 57 G 3.9216 8.5110 106.3066 45.9408 0.0000 172.3877 58 T 5.2283 7.7818 108.1746 59.7915 72.5991 172.6594 59 T 5.1791 8.4703 112.6041 60.2607 72.6552 171.7291 60 D 5.2754 8.6265 119.6919 52.7508 44.0547 176.5075 61 I 4.5682 8.4832 122.8532 60.0828 39.5788 174.7727 62 T 5.0122 8.6145 124.9738 62.5899 70.3201 174.3183 63 F 5.6182 8.8855 119.6116 55.7584 42.2073 173.1229 64 T 5.3040 8.9066 109.3440 60.5479 72.2627 172.3623 65 C 5.1008 8.6673 115.9082 56.8231 33.5814 171.4881 66 P 4.7612 0.0000 0.0000 62.8288 31.8019 177.7441 67 R 3.9757 8.6164 121.2539 59.7839 29.7746 179.3913 68 S 4.2375 8.0679 112.3099 61.2139 63.3846 175.1153 69 D 4.7666 8.0177 120.6918 54.5853 40.8749 178.6109 70 G 3.7330 7.9785 107.5777 47.7832 0.0000 175.9070 71 R 3.0624 7.8072 120.9776 58.7909 30.1710 178.3278 72 R 3.7809 7.9013 117.7385 59.2224 29.9729 177.7264 73 A 4.0299 7.9402 120.6373 55.6610 18.3685 179.2722 74 M 3.9499 7.8438 116.0488 58.8471 32.2685 177.8262 75 E 3.9238 8.1820 119.5042 59.6196 29.5381 178.9949 76 I 3.7531 8.0541 118.9658 63.9082 37.3892 177.8421 77 L 4.2907 7.6911 121.6063 57.9609 42.1527 178.9956 78 K 4.1722 8.9097 121.1951 59.9006 31.6845 180.0837 79 K 4.1002 7.7486 123.5545 58.8723 31.5552 181.8099 80 L 4.6030 7.2263 116.5074 53.8712 42.1621 176.5400 81 Q 2.8785 6.8321 120.0513 55.8725 29.6663 175.7087 82 V 2.9032 7.1235 120.1539 61.8652 29.2645 171.7600 *86 W 5.2970 7.6172 123.9168 57.6767 30.6174 175.8779 87 T 4.1567 9.3156 121.7800 67.1523 68.5808 174.5951 88 N 4.5293 7.5852 117.3018 52.7279 42.3263 175.1233 89 V 4.8726 8.5677 117.8922 63.1052 32.9316 175.7038 90 L 4.4377 8.6979 129.7519 54.8096 42.3934 173.4184 91 Y 5.3665 8.3154 120.8077 56.1998 42.1932 173.9475 92 D 4.3746 8.6287 125.1035 52.8460 44.4712 174.8141 93 D 4.7520 8.6243 123.5824 54.1154 42.5634 175.6387 94 Q 4.8249 7.9251 117.7049 56.2098 29.1727 175.5167 95 V 4.5958 7.8525 117.6662 60.5193 33.6566 175.6130 96 G 4.3096 9.6898 110.0848 44.3097 0.0000 171.2466 97 K 5.2638 9.2113 123.3111 54.1721 35.2048 175.1091 98 V 5.0414 8.4597 126.3395 60.1236 34.5095 174.8044 99 S 5.2384 9.1154 118.7690 56.7537 67.7267 172.5598 100 L 4.9346 8.6477 125.3889 53.5288 43.9119 175.0902 101 V 4.5377 8.0694 126.7220 61.6737 33.4465 174.7725 102 G 4.1665 8.5054 113.6822 47.0230 0.0000 171.7904 103 A 4.6889 8.6252 122.0852 52.0175 23.3971 177.2354 104 G 4.0191 8.8493 106.3317 47.0856 0.0000 174.8267 105 M 4.2781 7.7970 119.3268 55.9311 32.7196 178.9260 106 K 3.9480 8.1220 120.0810 59.5156 32.4061 177.6648 107 S 4.4322 7.9758 109.3088 59.2567 63.2715 174.0697 108 H 4.7874 7.6977 118.2682 52.9203 29.2855 171.9148 109 P 4.4516 0.0000 0.0000 64.9369 31.6330 178.3938 110 G 3.8366 8.3035 105.5964 47.8699 0.0000 175.6146 111 V 3.9503 7.6966 120.3688 66.3220 31.5693 178.3268 112 T 3.8880 7.9531 114.8091 66.4677 68.3957 176.2055 113 A 4.0401 8.0203 122.6553 55.5885 18.5068 179.6749 114 E 4.1929 8.8140 118.3300 58.6622 29.2148 179.5654 115 F 4.2060 8.5355 121.0661 61.7560 39.6342 177.1874 116 M 4.2615 8.2347 117.9311 58.3347 31.8408 178.6486 117 E 3.9440 8.4852 118.6912 59.2913 29.3865 179.1543 118 A 4.0031 7.9326 120.7346 55.2235 18.4692 179.4976 119 L 3.8386 7.5569 116.3805 56.7108 41.6574 179.6440 120 R 3.8878 7.7382 119.3876 59.4365 29.9648 177.6420 121 D 4.5397 8.1497 115.6416 55.7877 40.8995 177.1615 122 V 4.1485 7.0973 111.1727 60.2991 32.6023 174.8135 123 N 4.0177 8.2236 116.8683 54.9855 36.9808 175.3091 124 V 4.2708 7.9026 117.4020 60.7308 33.4213 174.2604 125 N 4.5872 8.5998 125.4592 52.3403 38.1659 174.7502 126 I 4.1138 8.2329 123.0548 61.1553 38.0795 175.3996 127 E 4.3911 8.8772 125.3880 58.1453 30.3720 176.8467 128 L 4.9726 7.7585 117.0158 52.9422 46.5069 175.7023 129 I 4.9654 8.2587 120.9083 59.7069 40.9856 175.0484 130 S 4.5845 9.3868 121.5430 57.1027 65.2729 172.6935 131 T 5.2213 8.5141 116.6347 60.2058 72.4696 173.0047 132 S 4.5832 9.0098 115.7991 57.0876 66.2825 174.0747 133 E 4.2968 8.7653 118.2661 58.5940 29.9059 178.3389 134 I 4.8497 7.7245 110.6651 59.1664 39.7163 175.0601 135 R 4.8651 7.6978 121.8888 55.5774 34.2430 173.6260 136 I 4.4800 8.5838 126.9761 59.6904 39.3948 173.9752 137 S 5.2269 8.6821 123.6793 56.7713 65.0870 174.0927 138 V 4.9856 8.6029 116.6196 59.5873 35.9717 174.4023 139 L 5.2541 8.6850 122.3675 53.5058 44.6814 175.8898 140 I 4.6885 8.4946 114.8300 59.9840 41.7096 174.0745 141 R 4.3374 8.5534 120.3441 55.9816 30.9190 177.4890 142 E 3.9283 8.8055 122.0383 60.1877 29.3699 179.9252 143 D 4.5292 8.0115 115.3723 56.2535 41.3299 177.2718 144 D 4.6538 7.9605 118.5925 54.5911 41.2091 178.1143 145 L 3.9552 7.5994 120.3676 58.1624 41.6718 179.0790 146 D 4.3243 8.0810 117.6046 57.4401 40.8287 178.6309 147 A 3.9600 8.0065 120.4971 54.9255 18.3895 179.4875 148 A 3.8217 8.5611 119.3952 55.2676 18.5560 179.6916 149 A 3.9723 8.7228 122.1323 56.0022 18.3235 180.6303 150 R 3.9653 8.2581 119.0130 61.5020 29.4292 180.7074 151 A 4.1540 7.7968 121.1722 55.0674 18.5239 179.8463 152 L 3.9481 7.9573 117.4579 58.1806 41.6701 179.3033 153 H 4.2097 8.6592 116.6284 59.0263 28.7521 177.4777 154 E 3.9704 8.0651 121.0471 59.0179 29.2579 178.3816 155 Q 3.7116 7.7881 119.2258 58.6747 29.0633 177.2318 156 F 4.6883 7.8175 113.2235 56.9903 39.7561 176.4055 157 Q 3.2618 7.8015 119.4192 57.6063 26.2623 175.1239 158 L 4.4293 8.8500 121.9135 54.5040 42.0678 178.0421 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 4 A 8.26 4.11 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 5 V 7.71 4.09 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 0.66 0.00 0.00 0.98 0.00 0.00 6 L 9.31 4.85 0.00 1.43 1.47 0.81 0.51 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 7 T 8.92 4.32 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 1.20 0.00 0.00 8 G 7.35 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 9 V 8.28 4.56 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 0.82 0.00 0.00 0.84 0.00 0.00 10 A 8.67 4.71 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 11 T 8.26 5.16 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 1.23 0.00 0.00 12 D 9.47 4.86 0.00 2.73 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.65 4.91 0.00 1.74 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.40 7.81 14 S 8.41 4.59 0.00 3.99 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 15 E 7.89 5.26 0.00 1.85 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 2.46 0.00 16 A 8.78 5.02 1.39 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 0.00 0.00 17 K 8.67 4.87 0.00 1.80 1.83 0.00 1.21 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.25 7.81 18 V 7.88 4.70 0.67 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 1.01 0.00 0.00 0.83 0.00 0.00 19 T 8.46 4.85 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 1.16 0.00 0.00 20 V 8.48 4.07 1.68 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 -0.22 0.00 0.00 0.62 0.00 0.00 21 L 8.65 4.70 0.00 1.76 1.56 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.84 3.82 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 0.00 0.00 0.00 23 I 7.63 4.19 1.28 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.18 0.80 0.00 0.00 24 S 8.81 4.57 0.00 3.88 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 25 D 8.49 4.75 0.00 2.70 2.62 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 26 K 7.53 4.78 0.00 1.67 1.60 0.00 1.85 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 0.95 7.81 27 P 0.00 4.36 0.00 2.18 2.11 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 28 G 9.05 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 29 E 7.62 4.23 0.00 2.09 2.11 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 2.50 2.59 0.00 30 A 8.15 4.17 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 31 A 8.17 4.04 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.72 3.85 0.00 1.99 2.01 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.68 7.81 33 V 7.80 3.57 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 0.25 0.00 0.00 0.68 0.00 0.00 34 F 7.78 4.29 0.00 3.08 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 35 R 8.31 3.90 0.00 1.96 2.03 0.00 3.24 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 36 A 7.67 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.54 3.99 0.00 1.85 1.66 0.19 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.15 3.98 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.59 4.45 0.00 2.67 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 40 A 7.68 4.38 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 41 E 7.88 3.71 0.00 2.16 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 2.24 2.27 0.00 42 I 8.04 4.08 1.89 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 1.34 0.81 1.00 0.00 0.00 43 N 8.67 4.66 0.00 2.68 2.78 0.00 0.00 7.18 7.94 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 44 I 7.97 4.11 2.11 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 1.18 0.70 0.81 0.00 0.00 45 D 9.03 4.73 0.00 2.71 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 46 M 7.66 4.39 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 47 V 8.23 4.90 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 0.92 0.00 0.00 0.82 0.00 0.00 48 L 9.42 4.90 0.00 1.61 1.52 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.50 4.76 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 50 N 8.67 4.74 0.00 2.72 2.73 0.00 0.00 7.27 7.71 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 51 V 8.39 3.95 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 0.74 0.00 0.00 0.93 0.00 0.00 52 S 8.33 4.51 0.00 4.11 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 53 S 8.23 4.36 0.00 4.05 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 54 V 8.27 3.64 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 0.82 0.00 0.00 0.93 0.00 0.00 55 E 8.17 4.19 0.00 2.00 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 2.28 0.00 56 D 7.96 4.69 0.00 2.68 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 57 G 8.51 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 58 T 7.78 5.23 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 1.25 0.00 0.00 59 T 8.47 5.18 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 1.30 0.00 0.00 60 D 8.63 5.28 0.00 2.52 2.62 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 61 I 8.48 4.57 1.75 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 1.31 0.83 1.07 0.00 0.00 62 T 8.61 5.01 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 63 F 8.89 5.62 0.00 3.33 3.29 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 64 T 8.91 5.30 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 1.23 0.00 0.00 65 C 8.67 5.10 0.00 3.16 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 66 P 0.00 4.76 0.00 2.24 2.06 0.00 3.67 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 2.16 2.13 0.00 67 R 8.62 3.98 0.00 2.09 1.96 0.00 3.10 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.70 0.00 68 S 8.07 4.24 0.00 4.09 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 69 D 8.02 4.77 0.00 2.76 2.78 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 70 G 7.98 3.73 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 0.00 71 R 7.81 3.06 0.00 1.83 1.86 0.00 3.17 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 72 R 7.90 3.78 0.00 1.90 1.90 0.00 3.26 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 73 A 7.94 4.03 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.84 3.95 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 75 E 8.18 3.92 0.00 2.05 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 2.29 2.48 0.00 76 I 8.05 3.75 1.96 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 1.59 0.93 0.92 0.00 0.00 77 L 7.69 4.29 0.00 2.12 1.89 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.91 4.17 0.00 1.80 1.86 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.51 7.81 79 K 7.75 4.10 0.00 1.81 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.35 7.81 80 L 7.23 4.60 0.00 1.73 1.59 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 6.83 2.88 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.43 0.00 0.00 0.00 0.00 0.00 2.11 2.40 0.00 82 V 7.12 2.90 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 0.61 0.00 0.00 0.83 0.00 0.00 *86 W 7.62 5.30 0.00 3.39 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 87 T 9.32 4.16 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 1.25 0.00 0.00 88 N 7.59 4.53 0.00 2.35 2.64 0.00 0.00 6.22 7.67 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 89 V 8.57 4.87 2.18 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 0.99 0.00 0.00 1.19 0.00 0.00 90 L 8.70 4.44 0.00 1.40 1.53 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.32 5.37 0.00 2.76 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 92 D 8.63 4.37 0.00 2.70 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.62 4.75 0.00 2.21 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 7.93 4.82 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 95 V 7.85 4.60 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 0.72 0.00 0.00 0.98 0.00 0.00 96 G 9.69 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 0.00 0.00 0.00 0.00 97 K 9.21 5.26 0.00 1.78 1.65 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.51 7.81 98 V 8.46 5.04 2.12 0.00 0.00 0.00 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 0.97 0.00 0.00 99 S 9.12 5.24 0.00 3.76 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 L 8.65 4.93 0.00 1.99 1.54 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.07 4.54 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 0.97 0.00 0.00 0.92 0.00 0.00 102 G 8.51 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.63 4.69 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 0.00 104 G 8.85 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.80 4.28 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 106 K 8.12 3.95 0.00 1.80 1.85 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 107 S 7.98 4.43 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 0.00 108 H 7.70 4.79 0.00 3.20 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.45 0.00 2.28 2.31 0.00 3.72 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 2.09 2.03 0.00 110 G 8.30 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 0.00 111 V 7.70 3.95 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 0.94 0.00 0.00 1.01 0.00 0.00 112 T 7.95 3.89 4.36 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 1.20 0.00 0.00 113 A 8.02 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.81 4.19 0.00 2.20 1.76 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 2.27 2.34 0.00 115 F 8.54 4.21 0.00 3.53 3.28 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 0.00 116 M 8.23 4.26 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.09 0.00 117 E 8.49 3.94 0.00 2.14 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 2.33 2.50 0.00 118 A 7.93 4.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.56 3.84 0.00 1.68 1.86 0.61 0.66 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 0.00 120 R 7.74 3.89 0.00 2.00 2.04 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 121 D 8.15 4.54 0.00 2.65 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 0.00 122 V 7.10 4.15 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 0.63 0.00 0.00 0.94 0.00 0.00 123 N 8.22 4.02 0.00 2.83 2.86 0.00 0.00 6.79 7.87 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 0.00 124 V 7.90 4.27 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 0.94 0.00 0.00 1.01 0.00 0.00 125 N 8.60 4.59 0.00 2.88 2.81 0.00 0.00 6.32 7.81 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 0.00 126 I 8.23 4.11 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.50 0.98 0.00 0.00 127 E 8.88 4.39 0.00 1.99 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 0.00 2.30 2.28 0.00 128 L 7.76 4.97 0.00 1.58 1.49 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.26 4.97 1.85 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 1.24 0.61 0.84 0.00 0.00 130 S 9.39 4.58 0.00 3.78 3.63 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 0.00 131 T 8.51 5.22 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 1.03 0.00 0.00 132 S 9.01 4.58 0.00 3.87 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 0.00 133 E 8.77 4.30 0.00 1.93 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 2.38 2.29 0.00 134 I 7.72 4.85 1.92 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 1.06 1.92 0.89 0.00 0.00 135 R 7.70 4.87 0.00 1.95 1.70 0.00 2.99 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 136 I 8.58 4.48 1.41 0.00 0.00 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 0.98 0.36 -0.50 0.00 0.00 137 S 8.68 5.23 0.00 3.89 3.73 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 0.00 138 V 8.60 4.99 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 1.07 0.00 0.00 1.19 0.00 0.00 139 L 8.68 5.25 0.00 1.57 1.54 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.49 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 1.25 0.60 0.97 0.00 0.00 141 R 8.55 4.34 0.00 1.85 1.87 0.00 3.30 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.58 0.00 142 E 8.81 3.93 0.00 2.01 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 2.33 2.27 0.00 143 D 8.01 4.53 0.00 2.64 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 0.00 144 D 7.96 4.65 0.00 2.79 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 0.00 145 L 7.60 3.96 0.00 1.77 1.74 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.08 4.32 0.00 2.76 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 0.00 147 A 8.01 3.96 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 0.00 148 A 8.56 3.82 1.37 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 0.00 149 A 8.72 3.97 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 0.00 150 R 8.26 3.97 0.00 1.83 1.96 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 151 A 7.80 4.15 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 0.00 152 L 7.96 3.95 0.00 1.79 1.74 0.66 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.66 4.21 0.00 3.34 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 8.07 3.97 0.00 1.98 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 2.30 0.00 155 Q 7.79 3.71 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.10 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 156 F 7.82 4.69 0.00 3.11 3.01 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 0.00 157 Q 7.80 3.26 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 158 L 8.85 4.43 0.00 1.55 1.34 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.