NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3092 0.0000 0.0000 62.8927 33.8070 174.4902 2 H 5.4325 7.8241 118.8070 53.0564 32.7376 171.3932 3 F 5.5938 8.8144 124.0122 55.7286 42.9703 173.4218 4 L 4.4695 8.2442 123.5010 53.4361 44.1353 175.2431 5 I 4.6183 8.3790 127.9009 59.8554 38.8141 174.0470 6 L 5.1339 9.0585 130.8528 53.2757 44.2844 174.6923 7 N 5.4768 9.1376 123.9831 51.7522 41.6961 175.1796 8 G 4.2154 9.0776 113.9975 43.5108 0.0000 170.7332 9 P 5.0069 0.0000 0.0000 63.7653 31.8032 176.5276 10 N 4.5333 9.1364 116.2597 53.8609 36.9789 176.3906 11 V 3.6323 7.4653 118.9781 65.4837 32.1280 177.6429 12 N 4.3740 8.1005 116.7355 55.1114 37.0445 176.1375 13 R 4.3405 7.8317 117.0997 55.7832 30.7607 176.1944 14 L 3.6549 7.3424 119.2056 56.5976 42.5014 176.9002 15 G 4.2413 9.0932 114.1759 46.2661 0.0000 175.9408 16 S 4.2893 7.2125 112.5556 59.6119 63.0097 173.9806 17 R 4.3766 8.1395 118.0632 56.8116 32.6031 175.4622 18 E 4.2637 8.9873 111.1296 55.1753 26.5529 175.2720 19 P 5.2586 0.0000 0.0000 65.2670 31.5976 178.4585 20 E 4.0250 8.1733 117.9163 58.4075 29.1831 178.8038 21 V 3.4628 7.7873 117.9587 64.8314 32.0623 177.2103 22 F 4.8895 8.0210 112.9992 56.0349 40.6056 176.3380 23 G 4.0130 8.1634 107.1570 46.1541 0.0000 174.8162 24 R 4.4677 8.0435 115.1592 56.3905 30.4220 176.3080 25 Q 4.3532 7.8598 115.5751 56.7626 29.5002 176.7281 26 T 4.6995 8.2187 114.0954 59.8246 71.5602 175.8529 27 L 3.8505 8.2100 121.8990 58.5771 41.9333 178.8065 28 T 3.6968 7.7730 115.1021 66.5969 68.3975 175.9187 29 D 4.3005 8.0725 120.6242 57.6696 40.8631 179.1140 30 I 3.6718 7.5558 119.9213 64.2678 37.0401 178.4160 31 E 3.2641 8.1494 119.6826 59.3770 29.0615 179.4401 32 T 3.7884 7.8265 115.7627 66.7973 68.4505 176.3358 33 D 4.3978 8.0164 120.6395 57.5199 40.8261 178.9954 34 L 4.0916 8.3740 121.9788 58.3266 41.5985 180.1821 *35 F 4.3410 8.3590 120.7611 61.6338 37.9067 181.1652 36 Q 4.1572 8.0174 117.3196 59.0727 28.7796 178.0147 37 F 4.2158 8.9149 122.1052 61.5466 39.3457 176.8913 38 A 4.0125 8.6953 120.3231 55.4001 18.1036 179.5212 39 E 3.8517 8.2462 116.7509 59.3822 29.3671 179.2709 40 A 3.9411 7.8628 119.2967 53.9018 18.4361 178.4044 41 L 4.2915 6.7188 114.0850 53.4773 42.8917 175.6636 42 H 4.0358 8.1898 115.3698 56.8808 26.2389 173.6388 43 I 4.7556 7.8317 110.8391 59.5108 41.4738 174.5020 44 Q 4.7444 8.7187 120.0457 54.0252 31.9614 175.1293 45 L 5.2526 8.3860 120.9572 53.2752 45.5415 175.9067 46 T 4.6890 8.4840 118.7065 61.7706 71.7433 172.9434 47 F 5.2810 8.8607 123.8851 55.9182 41.5133 174.9473 48 F 5.0187 9.0012 124.0894 56.8821 43.1421 172.7045 49 Q 4.8336 7.6406 125.7360 54.4013 31.4611 173.9600 50 S 4.5271 8.5419 118.8755 57.2719 66.4658 174.1141 51 N 4.6903 8.9578 120.4860 53.7562 39.2398 174.1834 52 H 5.0128 7.9510 117.2209 53.8588 30.5055 174.9313 53 E 4.0019 9.1572 125.7079 59.6135 29.3585 178.9877 54 G 3.7556 8.2192 104.9030 48.0537 0.0000 175.1522 55 D 4.4388 8.1519 120.5123 57.1492 40.7765 178.8176 56 L 4.1140 7.9462 119.0392 57.8001 41.7261 179.2960 57 I 3.6166 7.6542 119.5480 64.5579 37.0879 177.9609 58 D 4.3146 8.1912 119.3460 57.5604 40.7215 179.0474 59 A 3.9408 8.0945 120.9345 55.1133 18.1289 179.7289 60 I 3.6781 7.6907 117.4807 64.7976 37.4211 177.9115 61 H 4.3919 8.2524 116.9551 59.3367 28.2080 177.8237 62 E 3.9744 8.3300 119.4780 58.8929 29.1229 179.1852 63 A 4.2792 7.9611 121.3985 55.1228 17.9820 178.8444 64 E 3.8868 7.7847 117.3411 59.3321 29.3363 178.1060 65 E 4.5424 7.5112 113.9863 56.3223 29.9476 176.2787 66 Q 4.1066 7.5087 117.3986 55.4141 31.3616 173.6846 67 Y 4.9708 7.9526 113.9963 56.2674 41.1568 175.2159 68 S 4.7944 8.9495 113.3725 57.1331 63.5479 174.1534 69 G 4.3922 7.2165 110.1438 46.7683 0.0000 172.0326 70 I 5.1536 8.0357 121.3036 59.2133 41.3870 174.6501 71 V 4.5622 8.7214 126.6952 61.1558 33.5870 173.9907 72 L 5.0954 9.1078 130.9160 53.4751 44.6513 174.5524 73 N 5.1975 9.2884 126.5732 50.4200 39.2837 172.3782 74 P 4.6146 0.0000 0.0000 61.5100 32.5640 178.0880 75 G 4.2480 8.3158 108.5775 46.2585 0.0000 174.4966 76 A 4.2620 8.5355 119.0742 54.7401 18.2975 179.7361 77 L 3.2495 7.5623 116.6744 57.2840 41.4307 179.0139 78 S 3.9283 7.8740 113.4446 61.7738 61.8892 175.3844 79 H 4.8731 7.8333 116.3096 56.9573 28.9214 175.2547 80 Y 4.5668 7.2515 114.6595 56.3330 42.6547 175.7347 81 S 4.2508 7.7742 117.1276 57.4537 61.1117 173.4338 82 Y 4.2202 8.1063 125.5273 60.1512 37.9050 177.4182 83 A 4.0888 8.0483 121.8107 55.1575 18.5405 179.4230 84 I 3.8345 7.5975 117.7913 63.7805 37.2221 178.3567 85 R 3.8825 7.8394 119.5756 59.8715 29.6913 178.3768 86 D 4.4216 8.0457 116.7454 57.0279 41.1747 178.2728 87 A 4.2355 8.1099 121.5261 55.2285 18.2794 179.6796 88 V 3.5873 7.7761 116.6887 66.5328 31.3571 178.5101 89 S 4.2391 7.9691 113.6399 60.9735 62.7285 175.8364 90 S 4.5130 7.7105 114.4537 57.8672 63.4854 173.7207 91 I 4.8383 7.0375 115.3430 58.2849 39.8956 175.7838 92 S 4.4146 9.1493 115.9007 59.8698 63.5890 174.8414 93 L 4.4418 7.7362 121.2020 53.6276 42.5076 175.1047 94 P 4.4733 0.0000 0.0000 63.0202 32.8130 175.0782 95 V 4.9104 8.4909 122.7559 61.0329 34.7752 173.8037 96 V 4.7553 8.7068 128.0688 61.0169 34.0563 173.8157 97 E 4.7728 8.7938 129.4723 55.5452 30.6611 175.0771 98 V 4.8054 8.6963 126.8275 61.3709 35.0823 173.8616 99 H 4.8028 8.5676 122.9668 54.3283 32.6225 174.2872 100 L 4.1739 8.7876 123.4778 57.8754 42.4346 177.9176 101 S 4.4637 7.9565 111.2180 57.3888 64.2470 173.9552 102 N 4.4453 8.2224 120.0968 52.6014 37.4786 175.2111 103 L 3.7916 7.9245 126.0653 57.6548 41.9149 179.4470 104 Y 3.7896 6.9272 113.9755 59.9077 37.7638 176.5095 105 A 4.5305 7.6784 120.9517 51.9868 19.8904 177.1179 106 R 4.8333 7.4959 116.7191 54.5469 32.4258 175.4985 107 E 3.9489 8.4415 118.3412 57.3519 30.2602 177.3624 108 E 3.3583 8.8940 123.4508 59.1868 29.7146 179.1691 109 F 4.1864 8.0504 112.1257 59.6686 37.8667 176.0116 110 R 3.3658 6.8586 118.1314 56.9715 29.8572 176.5805 111 H 4.7840 8.1000 115.2273 56.1621 28.9898 175.1327 112 Q 4.6587 7.7371 116.9539 54.2024 31.4382 174.0994 113 S 4.8946 8.5993 114.5863 56.7606 64.4401 174.2154 114 V 3.9982 8.5622 120.5226 62.4174 32.0485 177.0251 115 I 4.0837 7.7997 120.9718 62.8491 38.0990 177.9158 116 A 4.0438 8.0476 123.0453 54.6472 18.3952 177.5779 117 P 4.3119 0.0000 0.0000 65.1213 31.4244 177.4235 118 V 4.1076 7.5388 108.0540 61.0047 32.3582 175.6320 119 A 4.5197 7.4672 123.3908 50.6282 20.1406 177.5901 120 K 4.0847 8.7828 118.7689 59.4515 32.6041 177.9451 121 G 3.9409 7.4145 103.6358 46.9000 0.0000 171.5821 122 Q 5.1970 8.5585 119.4740 54.9443 32.5041 174.8924 123 I 4.5387 8.6341 126.0291 59.4759 40.1402 174.6395 124 V 4.6213 8.5576 126.4311 62.2605 34.0324 175.8011 125 G 3.9086 9.0183 115.3417 45.5984 0.0000 173.6736 126 L 4.4184 7.6559 117.9688 53.8883 42.4623 178.5478 127 G 3.8141 8.0991 108.8918 45.3917 0.0000 174.8039 128 A 4.2805 8.4625 120.3487 54.5157 18.9744 179.6058 129 E 4.0393 8.3499 116.5793 59.1798 29.5458 178.8171 130 G 3.5711 8.1574 105.7482 47.6453 0.0000 175.3033 131 Y 4.1315 8.0136 119.2221 60.9117 37.8231 178.4563 132 K 3.6629 7.8731 118.9275 59.3526 32.2249 179.2114 133 L 3.9870 8.0276 119.1484 57.8008 41.5201 179.5565 134 A 4.0128 8.0280 120.7308 55.1527 18.2932 179.8867 135 V 3.4423 8.1528 116.9952 66.0580 31.6176 178.5181 136 R 4.0317 8.4221 118.0697 59.2821 29.7043 178.2532 137 Y 4.0821 7.9411 118.1728 60.8658 39.1309 177.8534 138 L 3.8175 7.9236 119.7047 57.5678 41.3505 179.5419 139 L 4.1285 7.7997 118.1868 57.9146 41.8254 179.5499 140 S 4.1609 7.8020 111.9256 60.6263 62.7534 174.8410 141 Q 4.1716 7.5042 126.3770 56.0639 28.7810 175.0365 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 1 P 0.00 4.31 0.00 1.49 2.10 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 2 H 7.82 5.43 0.00 3.10 3.11 0.00 5.60 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 3 F 8.81 5.59 0.00 3.02 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 4 L 8.24 4.47 0.00 1.01 1.24 0.87 0.91 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 5 I 8.38 4.62 1.59 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 0.53 0.46 1.01 0.00 0.00 6 L 9.06 5.13 0.00 1.70 1.56 0.98 0.67 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 7 N 9.14 5.48 0.00 2.63 2.68 0.00 0.00 6.42 7.11 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 8 G 9.08 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 0.00 0.00 0.00 0.00 9 P 0.00 5.01 0.00 2.19 2.20 0.00 3.63 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 10 N 9.14 4.53 0.00 2.93 2.97 0.00 0.00 7.25 7.68 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 11 V 7.47 3.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 12 N 8.10 4.37 0.00 2.85 3.16 0.00 0.00 6.26 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 13 R 7.83 4.34 0.00 1.84 1.90 0.00 3.27 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 14 L 7.34 3.65 0.00 1.84 1.57 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.09 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 0.00 0.00 0.00 0.00 16 S 7.21 4.29 0.00 3.97 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 17 R 8.14 4.38 0.00 1.91 1.91 0.00 3.30 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 18 E 8.99 4.26 0.00 1.99 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 2.25 1.81 0.00 19 P 0.00 5.26 0.00 2.27 2.39 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 20 E 8.17 4.03 0.00 2.02 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 2.38 2.41 0.00 21 V 7.79 3.46 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 -0.04 0.00 0.00 0.71 0.00 0.00 22 F 8.02 4.89 0.00 3.03 2.99 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 23 G 8.16 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.04 4.47 0.00 1.84 1.84 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.20 0.00 25 Q 7.86 4.35 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 26 T 8.22 4.70 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 1.18 0.00 0.00 27 L 8.21 3.85 0.00 1.70 1.62 0.81 0.69 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 28 T 7.77 3.70 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 1.14 0.00 0.00 29 D 8.07 4.30 0.00 3.01 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 30 I 7.56 3.67 1.85 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 1.52 0.56 0.63 0.00 0.00 31 E 8.15 3.26 0.00 1.75 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.09 0.00 32 T 7.83 3.79 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 1.22 0.00 0.00 33 D 8.02 4.40 0.00 2.91 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 34 L 8.37 4.09 0.00 2.08 2.05 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 *35 F 8.36 4.34 0.00 2.30 2.29 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 36 Q 8.02 4.16 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 37 F 8.91 4.22 0.00 3.18 3.36 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 38 A 8.70 4.01 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.25 3.85 0.00 2.13 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 2.33 2.20 0.00 40 A 7.86 3.94 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 41 L 6.72 4.29 0.00 1.37 1.53 0.55 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.19 4.04 0.00 3.27 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.83 4.76 1.87 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.87 0.00 0.00 44 Q 8.72 4.74 0.00 1.64 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 45 L 8.39 5.25 0.00 1.39 0.99 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.48 4.69 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 1.31 0.00 0.00 47 F 8.86 5.28 0.00 2.93 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 48 F 9.00 5.02 0.00 3.15 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 49 Q 7.64 4.83 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 50 S 8.54 4.53 0.00 3.66 3.62 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 51 N 8.96 4.69 0.00 2.78 2.77 0.00 0.00 6.80 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.95 5.01 0.00 3.37 3.26 0.00 5.64 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 53 E 9.16 4.00 0.00 1.99 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 2.37 2.34 0.00 54 G 8.22 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 0.00 0.00 0.00 55 D 8.15 4.44 0.00 3.06 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 56 L 7.95 4.11 0.00 1.86 1.75 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.65 3.62 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 1.50 0.81 0.75 0.00 0.00 58 D 8.19 4.31 0.00 2.81 2.70 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 59 A 8.09 3.94 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 60 I 7.69 3.68 2.00 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 1.55 0.67 1.00 0.00 0.00 61 H 8.25 4.39 0.00 3.32 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.33 3.97 0.00 2.24 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 2.31 2.33 0.00 63 A 7.96 4.28 1.60 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 64 E 7.78 3.89 0.00 2.25 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 2.32 2.43 0.00 65 E 7.51 4.54 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 66 Q 7.51 4.11 0.00 1.59 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.77 0.00 67 Y 7.95 4.97 0.00 2.99 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 68 S 8.95 4.79 0.00 4.09 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 69 G 7.22 4.39 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 0.00 70 I 8.04 5.15 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.89 0.97 0.00 0.00 71 V 8.72 4.56 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 72 L 9.11 5.10 0.00 1.72 1.46 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.29 5.20 0.00 2.73 3.02 0.00 0.00 6.79 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 74 P 0.00 4.61 0.00 2.18 2.20 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 75 G 8.32 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 0.00 0.00 0.00 0.00 76 A 8.54 4.26 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 77 L 7.56 3.25 0.00 1.72 1.42 0.83 0.28 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 78 S 7.87 3.93 0.00 3.92 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 79 H 7.83 4.87 0.00 3.51 3.62 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.25 4.57 0.00 2.89 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 81 S 7.77 4.25 0.00 3.46 3.62 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 82 Y 8.11 4.22 0.00 3.17 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 83 A 8.05 4.09 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 84 I 7.60 3.83 1.81 0.00 0.00 0.79 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 0.55 0.89 0.00 0.00 85 R 7.84 3.88 0.00 2.04 2.23 0.00 3.48 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 86 D 8.05 4.42 0.00 2.76 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 87 A 8.11 4.24 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.78 3.59 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 1.05 0.00 0.00 0.98 0.00 0.00 89 S 7.97 4.24 0.00 4.10 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 90 S 7.71 4.51 0.00 4.04 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 91 I 7.04 4.84 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.19 0.99 0.00 0.00 92 S 9.15 4.41 0.00 4.01 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 93 L 7.74 4.44 0.00 1.62 1.72 1.14 1.16 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 94 P 0.00 4.47 0.00 2.19 2.26 0.00 3.81 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 2.12 2.00 0.00 95 V 8.49 4.91 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 0.98 0.00 0.00 1.00 0.00 0.00 96 V 8.71 4.76 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 0.69 0.00 0.00 0.90 0.00 0.00 97 E 8.79 4.77 0.00 2.07 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 2.21 2.31 0.00 98 V 8.70 4.81 1.66 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 0.35 0.00 0.00 0.75 0.00 0.00 99 H 8.57 4.80 0.00 2.99 3.06 0.00 5.67 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 0.00 100 L 8.79 4.17 0.00 1.75 1.77 1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.96 4.46 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 0.00 102 N 8.22 4.45 0.00 2.69 2.70 0.00 0.00 6.90 6.66 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 0.00 103 L 7.92 3.79 0.00 0.94 1.46 0.53 0.73 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 0.00 104 Y 6.93 3.79 0.00 3.06 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.53 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 0.00 106 R 7.50 4.83 0.00 1.75 1.73 0.00 2.99 0.00 0.00 3.08 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 107 E 8.44 3.95 0.00 1.53 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 2.54 2.38 0.00 108 E 8.89 3.36 0.00 1.89 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 0.00 2.32 2.22 0.00 109 F 8.05 4.19 0.00 3.08 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 0.00 110 R 6.86 3.37 0.00 1.50 1.62 0.00 2.86 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 111 H 8.10 4.78 0.00 3.23 3.44 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.74 4.66 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 113 S 8.60 4.89 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 0.00 114 V 8.56 4.00 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 0.47 0.00 0.00 0.56 0.00 0.00 115 I 7.80 4.08 2.00 0.00 0.00 0.79 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 0.90 0.90 0.00 0.00 116 A 8.05 4.04 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 0.00 117 P 0.00 4.31 0.00 2.10 2.18 0.00 3.75 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 2.09 2.16 0.00 118 V 7.54 4.11 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 0.71 0.00 0.00 1.08 0.00 0.00 119 A 7.47 4.52 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 0.00 120 K 8.78 4.08 0.00 1.81 1.91 0.00 2.02 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.73 7.81 121 G 7.41 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 0.00 122 Q 8.56 5.20 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00 123 I 8.63 4.54 1.76 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 1.03 0.75 0.85 0.00 0.00 124 V 8.56 4.62 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 0.53 0.00 0.00 0.83 0.00 0.00 125 G 9.02 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 0.00 0.00 0.00 126 L 7.66 4.42 0.00 1.59 1.65 0.89 0.90 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 0.00 127 G 8.10 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 0.00 128 A 8.46 4.28 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 0.00 129 E 8.35 4.04 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 130 G 8.16 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 0.00 0.00 0.00 131 Y 8.01 4.13 0.00 3.18 2.93 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 0.00 132 K 7.87 3.66 0.00 1.66 0.99 0.00 1.53 0.00 0.00 1.08 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.32 1.19 7.81 133 L 8.03 3.99 0.00 1.65 1.72 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.03 4.01 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 0.00 135 V 8.15 3.44 2.50 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 1.35 0.00 0.00 1.12 0.00 0.00 136 R 8.42 4.03 0.00 2.17 2.07 0.00 3.32 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.12 0.00 137 Y 7.94 4.08 0.00 2.93 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.92 3.82 0.00 1.65 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.80 4.13 0.00 1.85 1.79 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.80 4.16 0.00 3.97 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 0.00 141 Q 7.50 4.17 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.58 0.00 0.00 0.00 0.00 0.00 1.51 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.