NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3055 8.4444 121.4759 55.4523 30.5626 174.9785 4 L 3.9492 8.7421 128.4126 55.6917 43.0435 174.6372 5 Q 4.5627 9.0719 123.9742 54.1097 32.4299 173.8938 6 V 4.5205 8.3592 124.1074 61.5375 33.5233 174.3417 7 I 4.6696 8.9096 129.4812 59.7326 39.7545 174.8813 8 Q 5.0886 8.8714 127.3873 52.8771 29.1633 174.9720 9 P 4.2398 0.0000 0.0000 64.8961 31.6610 176.2513 10 D 4.7733 7.3214 116.0146 52.5233 41.1234 176.5227 11 K 4.5301 8.6171 125.1942 58.8834 33.2880 177.3152 12 S 5.1794 7.8800 112.8399 56.7039 66.1019 173.7645 13 V 4.4599 8.9611 122.5232 61.0927 34.5773 174.0040 14 S 5.0426 8.6663 121.2278 56.5748 64.7029 172.9928 15 V 4.5888 8.5663 126.1806 60.7840 35.1609 174.4357 16 A 4.7097 8.4746 127.0759 51.2474 19.7772 177.0832 17 A 4.0651 8.0751 124.5113 53.5774 18.9316 178.6630 18 G 3.9029 9.2679 110.3581 45.1226 0.0000 172.9975 19 E 4.6187 7.5742 119.3280 54.7276 32.6434 175.0533 20 S 5.0584 8.4235 115.9610 57.8923 64.5685 173.8999 21 A 4.6339 8.7605 124.5734 50.1678 21.6205 175.1940 22 I 4.5340 8.1792 123.0720 59.5812 39.1027 175.0155 23 L 4.4298 8.1140 127.6051 53.1877 43.3212 175.4239 24 H 5.4935 8.6619 121.0162 54.5218 31.0322 174.8393 25 C 5.3234 8.7533 120.5449 55.9728 45.5661 172.3335 26 T 5.3894 9.1664 119.3072 60.7413 70.9611 172.5953 27 V 5.1425 8.6574 120.1676 59.9863 33.8962 176.1007 28 T 4.3676 8.5170 113.1000 62.8409 69.4156 174.5748 29 S 4.6570 7.8023 115.1870 57.3311 65.2891 173.3685 30 L 4.5129 8.5206 124.0426 54.8176 42.1767 176.5904 31 I 4.4691 7.2109 112.2189 57.8700 39.7112 173.7159 32 P 4.3489 0.0000 0.0000 61.8738 31.8016 176.2243 33 V 3.5589 8.3108 118.8797 61.8653 31.6993 175.3391 34 G 4.6920 8.2994 118.8239 44.1959 0.0000 169.7906 35 P 4.6131 0.0000 0.0000 62.3959 33.3345 174.7608 36 I 4.7138 7.9624 121.4488 60.0617 38.4436 175.2148 37 Q 4.8705 9.1625 125.3717 53.8843 33.0577 174.2562 38 W 5.2476 8.9453 121.7182 55.3180 31.5405 175.4173 39 F 5.5588 9.5847 122.2005 55.8094 43.1627 173.7857 40 R 4.5037 9.3049 122.5503 56.2099 31.3650 176.9030 41 G 4.2721 9.3940 111.8478 45.4973 0.0000 172.4335 42 A 4.2794 8.0854 119.1780 51.9357 21.1894 177.2115 43 G 3.8559 7.5958 104.1638 44.5824 0.0000 172.0115 44 P 4.1905 0.0000 0.0000 64.5493 31.4307 177.0266 45 A 4.4886 7.8038 120.2788 51.6982 18.7175 177.2584 46 R 4.1562 7.3840 115.2955 56.7128 30.1353 175.8965 47 E 4.3908 8.9713 123.3663 55.1438 30.7215 175.2859 48 L 4.3186 8.9930 130.0164 56.2020 42.0800 176.1411 49 I 4.3660 8.8856 127.4669 63.2228 38.7200 175.7217 50 Y 3.4832 7.2672 120.7034 56.1740 42.0504 173.3006 51 N 5.0575 6.8130 121.5287 51.1714 40.6056 174.4180 52 Q 4.0884 8.3786 116.5382 57.9413 29.3054 177.3446 53 K 4.0669 7.8871 119.3428 55.7535 32.5121 176.0722 54 E 4.3991 8.8103 122.2463 56.6207 28.9980 174.7077 55 G 4.1525 8.2207 122.0830 41.0000 0.0000 172.2568 *56 H 3.8712 8.2318 117.4177 54.9220 26.4647 177.6715 57 F 5.3007 7.4014 114.7925 56.1255 39.6234 174.8936 58 P 4.3882 0.0000 0.0000 65.0119 32.0515 178.1111 59 R 4.4150 8.0326 116.4251 55.7170 31.4703 175.6499 60 V 4.7378 7.3875 117.5720 61.9424 32.9842 175.5338 61 T 4.6951 8.2711 122.1783 62.0839 73.3912 173.0605 62 T 4.0325 8.2715 119.8564 62.3589 67.4827 174.3395 63 V 3.9599 8.2401 128.2906 64.3010 32.5445 175.9158 64 S 4.5942 7.9151 116.5417 57.2692 65.1367 175.1899 65 E 4.3552 8.1257 116.4430 54.9902 27.7017 173.3284 66 S 4.4323 8.0014 116.5049 59.0412 63.9620 175.9688 67 T 4.2639 7.8266 110.3684 62.2266 69.0904 174.1964 68 K 4.6060 7.4970 122.7185 54.5328 34.1694 177.3478 69 R 3.9400 8.6746 123.3697 59.3834 30.1655 177.6661 70 E 4.0805 8.0288 114.0936 58.1504 30.0249 176.4294 71 N 4.3015 7.7137 119.6935 54.1828 39.2942 173.9776 72 M 4.7521 8.6176 123.3585 55.0562 33.9951 174.0603 73 D 5.2905 7.7318 119.5587 52.0963 42.9926 176.3438 74 F 5.0481 9.1225 125.9431 57.3336 39.8927 175.8024 75 S 4.9300 8.8160 114.5392 58.7195 64.2696 173.9129 76 I 4.7928 8.2020 114.8025 59.1273 41.5802 173.7209 77 S 4.9148 8.9772 117.8066 56.5274 65.0572 172.5123 78 I 4.8590 8.5998 128.4630 59.7104 38.7806 175.3152 79 S 4.7069 8.7112 121.5926 56.4760 65.6489 173.2716 80 N 4.2604 8.4094 115.6542 54.3715 35.8299 174.9238 81 I 3.9490 8.0450 119.9712 61.5349 38.4611 176.3480 82 T 4.9162 9.6573 115.7224 58.7493 71.1307 173.2475 83 P 4.4622 0.0000 0.0000 65.6144 31.4214 178.5110 84 A 4.1507 7.4130 119.4787 54.3041 18.3164 177.8824 85 D 4.6536 8.3943 114.5652 55.0094 41.4237 176.9903 86 A 4.2774 7.6678 122.6255 51.1638 18.9828 177.8086 87 G 3.8733 7.8140 108.8341 46.0902 0.0000 170.3217 88 T 5.0186 7.6834 116.0315 62.2670 70.3719 173.6171 89 Y 5.2883 9.0451 124.8866 56.4949 40.8527 174.4995 90 Y 5.1771 9.6174 120.7390 56.3784 42.2012 173.6135 91 C 4.0479 9.1701 124.3763 54.6763 45.4293 172.4123 92 V 4.7497 8.5446 126.6283 60.8528 34.5039 173.8688 93 K 4.7970 8.9463 128.7839 55.0375 34.2541 175.1620 94 F 5.3489 9.1318 125.0789 55.8536 42.8972 174.3480 95 R 5.0729 8.8647 119.2597 54.2122 33.0320 176.0168 96 K 4.6350 8.3283 121.8612 56.8400 33.0407 176.9633 97 G 3.9450 8.5286 110.7037 46.0503 0.0000 172.6754 98 S 4.7353 8.5505 115.2413 56.0506 62.4249 172.2525 99 P 4.8630 0.0000 0.0000 60.0413 33.2772 175.8062 100 D 4.9621 8.3896 118.0128 55.0483 41.3848 176.3796 101 T 4.8906 8.7707 110.4114 59.6978 72.4750 172.6059 102 E 3.8397 8.9770 124.7020 56.6155 29.7708 175.3397 103 F 4.7839 8.9271 130.0676 59.7132 40.2906 175.7068 104 K 4.4961 7.5588 116.3844 54.7913 36.5839 174.5565 105 S 4.9486 8.3086 117.0043 56.0741 65.2544 173.8225 106 G 3.9606 8.9166 113.0567 45.4387 0.0000 173.6334 107 A 4.3370 8.6127 122.1159 52.2198 18.9789 178.2442 108 G 3.6993 8.3771 103.5880 44.5792 0.0000 173.5886 109 T 4.7532 8.5757 117.9141 61.3422 72.0715 172.8661 110 E 4.5936 9.3098 129.6581 55.6993 30.8745 174.8655 111 L 5.1943 9.7005 131.2952 53.5839 44.2802 175.2300 112 S 5.0410 9.0454 120.1579 56.4794 66.6937 172.8169 113 V 4.7819 8.5447 123.8828 62.1401 32.9830 175.9828 114 R 4.6029 9.2313 128.4757 55.2591 32.4081 173.0564 115 A 4.2356 8.2944 118.7658 53.7175 19.0204 177.3913 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 3 E 8.44 4.31 0.00 1.94 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 2.16 2.34 0.00 4 L 8.74 3.95 0.00 1.96 1.76 1.11 0.49 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 5 Q 9.07 4.56 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 6 V 8.36 4.52 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 0.92 0.00 0.00 0.86 0.00 0.00 7 I 8.91 4.67 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.61 0.93 0.00 0.00 8 Q 8.87 5.09 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.16 0.00 9 P 0.00 4.24 0.00 2.19 2.20 0.00 3.97 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 10 D 7.32 4.77 0.00 2.79 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 11 K 8.62 4.53 0.00 1.73 1.87 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.46 7.81 12 S 7.88 5.18 0.00 3.82 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 13 V 8.96 4.46 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 0.92 0.00 0.00 0.87 0.00 0.00 14 S 8.67 5.04 0.00 3.86 3.68 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 15 V 8.57 4.59 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 0.89 0.00 0.00 0.85 0.00 0.00 16 A 8.47 4.71 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 17 A 8.08 4.07 1.23 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 0.00 0.00 18 G 9.27 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.57 4.62 0.00 1.94 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 0.00 2.22 2.35 0.00 20 S 8.42 5.06 0.00 3.68 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 21 A 8.76 4.63 1.01 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 0.00 0.00 22 I 8.18 4.53 1.69 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 0.67 0.00 0.00 23 L 8.11 4.43 0.00 0.41 0.88 -0.14 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.66 5.49 0.00 3.23 3.27 0.00 6.10 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.75 5.32 0.00 3.15 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 26 T 9.17 5.39 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 1.26 0.00 0.00 27 V 8.66 5.14 2.25 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 0.75 0.00 0.00 1.28 0.00 0.00 28 T 8.52 4.37 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 1.23 0.00 0.00 29 S 7.80 4.66 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 30 L 8.52 4.51 0.00 1.72 1.76 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.21 4.47 1.84 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 1.37 0.64 0.91 0.00 0.00 32 P 0.00 4.35 0.00 1.91 1.83 0.00 3.58 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.00 33 V 8.31 3.56 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 0.96 0.00 0.00 0.91 0.00 0.00 34 G 8.30 4.69 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 0.00 0.00 0.00 35 P 0.00 4.61 0.00 2.16 2.20 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 36 I 7.96 4.71 1.09 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.62 0.00 0.00 37 Q 9.16 4.87 0.00 1.88 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 38 W 8.95 5.25 0.00 3.23 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 39 F 9.58 5.56 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 9.30 4.50 0.00 1.21 1.68 0.00 2.79 0.00 0.00 2.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.00 41 G 9.39 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.09 4.28 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.60 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 44 P 0.00 4.19 0.00 2.03 2.08 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 45 A 7.80 4.49 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 46 R 7.38 4.16 0.00 2.18 1.91 0.00 2.47 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.00 47 E 8.97 4.39 0.00 2.17 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 2.42 2.34 0.00 48 L 8.99 4.32 0.00 1.99 1.80 0.62 1.27 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 49 I 8.89 4.37 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.39 0.97 0.00 0.00 50 Y 7.27 3.48 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 6.81 5.06 0.00 2.69 2.68 0.00 0.00 6.14 7.39 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 52 Q 8.38 4.09 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 53 K 7.89 4.07 0.00 1.93 1.72 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.37 7.81 54 E 8.81 4.40 0.00 2.08 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 2.27 2.29 0.00 55 G 8.22 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 H 8.23 3.87 0.00 3.07 2.98 0.00 7.15 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.40 5.30 0.00 3.16 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 58 P 0.00 4.39 0.00 2.21 2.22 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 59 R 8.03 4.41 0.00 1.94 2.01 0.00 3.41 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 60 V 7.39 4.74 2.21 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 0.48 0.00 0.00 0.99 0.00 0.00 61 T 8.27 4.70 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 1.19 0.00 0.00 62 T 8.27 4.03 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 1.27 0.00 0.00 63 V 8.24 3.96 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 0.78 0.00 0.00 0.77 0.00 0.00 64 S 7.92 4.59 0.00 4.00 3.91 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 0.00 0.00 0.00 65 E 8.13 4.36 0.00 1.91 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 2.28 1.86 0.00 66 S 8.00 4.43 0.00 4.06 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 67 T 7.83 4.26 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 1.25 0.00 0.00 68 K 7.50 4.61 0.00 1.79 1.73 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.46 7.81 69 R 8.67 3.94 0.00 1.79 1.97 0.00 3.25 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 70 E 8.03 4.08 0.00 2.11 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 2.26 2.23 0.00 71 N 7.71 4.30 0.00 2.64 2.80 0.00 0.00 7.00 7.51 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 72 M 8.62 4.75 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 73 D 7.73 5.29 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 9.12 5.05 0.00 2.98 3.17 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 75 S 8.82 4.93 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.20 4.79 1.27 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.04 0.35 0.00 0.00 77 S 8.98 4.91 0.00 3.69 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.60 4.86 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.25 0.84 0.00 0.00 79 S 8.71 4.71 0.00 3.88 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 80 N 8.41 4.26 0.00 2.80 2.84 0.00 0.00 6.97 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 81 I 8.04 3.95 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.89 0.00 0.00 82 T 9.66 4.92 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 1.29 0.00 0.00 83 P 0.00 4.46 0.00 2.21 2.17 0.00 3.60 0.00 0.00 3.78 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 84 A 7.41 4.15 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 85 D 8.39 4.65 0.00 2.77 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 86 A 7.67 4.28 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 87 G 7.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.68 5.02 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 0.91 0.00 0.00 89 Y 9.05 5.29 0.00 2.94 3.20 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 90 Y 9.62 5.18 0.00 2.96 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 91 C 9.17 4.05 0.00 1.23 2.43 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 92 V 8.54 4.75 2.24 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 0.44 0.00 0.00 1.06 0.00 0.00 93 K 8.95 4.80 0.00 1.76 1.73 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.53 7.81 94 F 9.13 5.35 0.00 3.01 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 95 R 8.86 5.07 0.00 1.71 1.71 0.00 2.21 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.25 0.00 96 K 8.33 4.63 0.00 1.64 1.74 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.54 7.81 97 G 8.53 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 98 S 8.55 4.74 0.00 3.83 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 99 P 0.00 4.86 0.00 2.16 2.06 0.00 3.39 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 100 D 8.39 4.96 0.00 2.49 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 0.00 101 T 8.77 4.89 4.33 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 1.26 0.00 0.00 102 E 8.98 3.84 0.00 1.99 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 2.06 1.79 0.00 103 F 8.93 4.78 0.00 2.91 3.10 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 0.00 104 K 7.56 4.50 0.00 1.48 1.44 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.27 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.13 0.77 7.81 105 S 8.31 4.95 0.00 3.81 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.92 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 0.00 0.00 0.00 107 A 8.61 4.34 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 0.00 108 G 8.38 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.58 4.75 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 1.24 0.00 0.00 110 E 9.31 4.59 0.00 2.08 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 2.32 2.33 0.00 111 L 9.70 5.19 0.00 1.66 1.80 0.89 0.45 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 0.00 112 S 9.05 5.04 0.00 3.89 3.91 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 0.00 0.00 0.00 113 V 8.54 4.78 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 0.78 0.00 0.00 1.02 0.00 0.00 114 R 9.23 4.60 0.00 1.49 1.80 0.00 3.31 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 115 A 8.29 4.24 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.