NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.6722 8.3544 109.7303 45.6168 0.0000 175.7085 *3 T 4.0448 8.8336 116.7636 62.4579 68.8485 170.1582 4 H 4.5242 7.8293 119.8313 55.2596 32.1876 173.9091 5 Y 4.1340 7.6997 121.2010 59.3026 37.7591 177.0072 6 S 4.5713 7.4494 113.6886 58.6063 63.7442 175.3715 7 D 4.6242 8.0417 123.1698 53.5270 38.5423 175.5548 8 N 4.3904 8.2935 122.4967 56.3108 39.3586 175.9257 9 T 3.9017 7.8852 116.7057 66.6341 68.5900 176.2425 10 L 4.0362 8.0927 120.5875 57.7090 41.7183 179.5298 11 K 3.9929 8.1298 119.3977 59.6912 32.1181 179.0073 12 V 3.6860 8.4000 118.6879 65.9134 31.4598 177.8200 13 A 4.4281 8.4017 120.6148 55.7297 18.2521 179.3297 14 H 4.4605 8.8766 115.1353 59.1269 28.9011 177.8460 15 Q 3.9251 8.4186 121.5831 58.9862 28.8744 178.4309 16 G 3.9314 8.5542 107.0536 48.0848 0.0000 175.4752 17 F 4.1031 8.9601 123.6710 60.6553 39.2556 177.0330 18 E 3.8320 8.4201 118.5757 59.5853 29.2642 179.4457 19 F 4.5878 7.8706 117.0110 59.9860 38.8309 177.8211 20 F 3.6143 8.1853 120.8317 61.3260 39.1782 177.0319 21 T 3.3410 7.5518 115.6873 66.7271 68.2178 176.2362 22 Q 3.7984 7.8194 121.1846 58.8528 28.9572 178.3696 23 G 2.0000 7.1606 106.7068 46.5600 0.0000 175.6253 24 L 3.7519 6.9525 121.6598 57.3398 41.3514 179.5441 25 A 4.1245 7.8344 121.0904 53.4965 18.4357 178.1247 26 T 4.2242 7.3463 104.7577 60.3735 70.4617 175.3910 27 G 3.8339 8.0428 109.7390 44.9364 0.0000 172.9277 28 E 4.3620 7.5154 120.1930 54.9412 30.0004 176.4309 29 W 4.5620 8.4033 122.9972 56.3950 30.1344 177.5703 30 Q 3.9592 7.9288 120.8397 59.1449 28.3172 178.0595 31 K 3.5458 7.6618 118.1760 59.0465 32.0193 178.6861 32 F 4.4290 7.8729 119.6363 61.3590 39.5762 176.8283 33 L 3.8505 7.8767 117.4646 57.3290 41.7219 179.3396 34 D 4.4300 7.7011 119.7658 53.0109 40.9192 176.3993 *36 L 3.9936 7.4358 117.8340 54.3810 43.1871 177.4886 37 T 4.2100 8.4511 112.8151 61.3081 69.4792 175.4709 38 E 4.0819 8.7306 121.6674 58.7613 29.6466 177.7276 39 D 4.8858 7.9497 116.4528 52.7270 40.0113 175.8365 40 F 5.2127 8.2668 122.6314 59.2441 40.3700 174.1805 41 T 5.0868 7.9939 114.4484 59.7970 72.4583 172.4877 42 F 5.6392 8.5743 117.0444 55.0665 41.9897 172.9190 43 W 5.4954 9.4779 130.7910 54.8460 33.4645 173.9971 44 F 5.2431 8.3512 127.5116 56.0237 42.1882 173.6628 45 P 4.1634 0.0000 0.0000 64.8737 32.0315 176.8308 *47 G 4.0177 7.6365 105.9234 45.1952 0.0000 172.4448 48 E 3.6475 9.0449 119.1794 59.0829 29.4950 178.8214 49 F 4.4883 7.9225 113.9528 57.0940 39.2186 175.1792 50 H 4.2984 8.1444 121.5674 57.6704 30.9019 177.1531 51 G 2.0000 7.5502 112.2493 44.8013 0.0000 171.9601 52 L 3.9731 7.0090 124.2839 54.0975 43.0737 176.7952 53 N 4.6930 8.4165 123.5505 51.0804 41.8660 173.4414 54 V 4.3792 8.4554 122.2383 62.2385 34.0292 176.2122 55 G 4.2134 9.5497 113.1011 45.6383 0.0000 174.4313 56 K 4.2053 8.5491 118.0967 58.8789 32.0285 179.8127 57 E 3.9913 8.1982 118.8727 59.4842 29.4889 179.0535 58 R 4.0640 8.1624 118.0447 59.2941 30.1234 178.1480 59 A 3.5232 8.2099 120.7106 55.0253 18.4299 179.4837 60 K 3.9004 8.2884 118.1805 59.5848 32.3208 178.6187 61 E 3.9715 8.1649 119.6906 59.0675 29.5117 178.5503 62 F 2.7677 7.9304 120.6768 61.0217 39.3886 177.2433 63 F 2.9953 7.5524 117.5683 60.2216 38.1780 177.9070 64 T 3.9269 7.5471 114.8015 66.6881 68.3560 175.7893 65 Y 4.6157 7.5533 122.6273 59.9582 38.5869 177.7991 66 V 3.1527 7.2548 118.6678 65.9937 31.6134 177.7583 67 S 4.5293 7.7718 112.8713 60.1555 62.7840 176.1403 68 E 4.0444 7.8023 122.1448 58.6828 29.1889 178.2898 69 S 4.5312 7.9070 111.8437 58.2132 64.0415 173.6364 70 F 5.3107 7.5765 120.5319 55.0928 37.5149 176.0198 71 H 4.4001 8.3764 122.2979 57.9761 28.9351 176.4751 72 T 4.4914 7.7604 108.0436 60.9138 69.1207 174.7145 73 G 3.9050 8.3551 110.8950 45.6921 0.0000 172.9346 74 I 4.6058 8.1060 118.7858 59.4770 39.8749 175.3295 75 Q 4.6026 9.1859 125.6398 54.3977 31.2754 175.2108 76 I 4.5327 8.1729 124.0319 60.6988 36.8562 175.8754 77 S 4.5151 9.1499 125.6130 61.3352 63.4323 175.5022 78 S 4.6833 8.0393 112.2476 56.9882 66.2206 173.4041 79 L 4.9151 8.7298 125.0903 54.1853 42.4354 174.8738 80 D 4.8244 9.1648 127.2726 55.7822 42.6030 177.9087 81 R 4.6457 7.7123 116.1424 54.5157 34.8245 174.4842 82 V 4.6191 8.3584 122.9095 61.2140 33.9375 174.4718 83 T 4.7991 8.4595 118.0347 60.1545 72.1836 172.8788 84 S 5.0373 8.1834 116.2071 57.8760 65.9105 172.4026 85 N 4.7653 8.8254 116.7431 52.0080 38.6420 175.2264 86 E 4.2750 9.0480 115.2871 59.5111 29.9962 177.5352 87 T 4.7378 8.0582 106.5490 60.9429 71.2984 174.0978 88 T 5.2933 8.8789 119.2737 61.6624 72.3254 173.2611 89 V 4.7222 9.0236 124.4101 61.0592 35.2232 174.1507 90 V 4.7231 8.5300 127.3275 61.0322 34.4720 173.9446 91 F 4.8518 9.1352 126.7489 55.8000 41.1968 174.2596 92 E 5.2540 9.3055 124.8828 54.6909 31.3698 175.3365 93 F 5.5967 9.0272 119.0988 55.5483 42.4814 173.3076 94 R 5.2676 9.3728 118.3079 54.5108 33.0182 175.0587 95 D 5.6991 8.9304 121.8932 52.1240 43.9402 173.8010 96 E 5.2281 8.8173 114.3846 55.8158 33.0686 174.6672 97 G 4.4223 8.9752 107.8029 45.8971 0.0000 172.1978 98 L 4.9326 8.3761 120.8946 53.8769 43.1600 176.3770 99 F 3.9922 9.8151 128.5297 56.9232 38.6881 175.4881 100 L 3.2849 8.8727 132.2234 55.5690 39.4093 176.3366 101 G 3.9224 8.0454 103.6898 45.3357 0.0000 173.0991 102 K 4.7303 7.7147 120.2006 53.6544 34.6838 173.9888 103 P 4.6668 0.0000 0.0000 63.2037 31.9945 174.7256 104 Y 5.0527 9.3016 127.2238 55.8025 41.0600 174.5054 105 K 4.8422 8.3779 125.1342 54.8383 36.7729 174.7933 106 N 5.1435 8.8279 120.9565 52.7569 43.4623 172.6788 107 R 4.9800 8.3579 119.8704 54.3584 32.8869 175.6287 108 V 4.9329 8.5211 122.3384 60.9943 35.7447 173.6501 109 A 5.1849 9.0038 127.7243 50.1578 21.8201 174.9981 110 V 4.7620 8.8868 122.9174 61.0980 34.2944 174.1882 111 S 5.2335 9.2194 122.8797 56.5743 64.8824 172.4393 112 F 5.9332 9.4419 125.9857 56.1312 41.9170 174.1267 113 D 5.5098 9.0928 122.4462 52.9119 43.1724 175.4588 114 V 4.8393 8.8672 122.7948 61.1760 33.9661 175.2534 115 R 4.4807 9.0280 127.3428 55.0562 32.9121 176.4136 116 G 3.8628 8.5565 117.7833 47.1143 0.0000 172.7688 117 D 4.8684 9.1248 120.7279 52.4480 39.6472 175.3062 118 K 4.6772 8.0571 118.9089 55.4075 36.4739 174.5586 119 I 5.0967 8.0419 120.1255 60.0947 39.0467 176.2610 120 C 5.3521 9.5932 120.9766 57.7391 31.7722 173.3946 121 S 4.9906 7.9887 113.0856 57.7320 66.0334 172.6147 122 Y 5.7927 8.9763 121.4922 56.4762 42.7933 174.0499 123 R 5.1716 9.1676 124.0635 54.5986 34.4920 173.4955 124 E 5.1699 8.8465 124.9002 54.6328 31.9920 174.6354 125 Y 4.6782 9.2100 123.3973 56.2068 42.2080 174.2513 126 F 5.3230 8.8390 121.7436 56.5997 40.0830 175.8858 127 G 4.0732 9.4209 109.7800 46.2888 0.0000 172.9110 128 S 4.5666 7.8788 114.5715 57.4612 64.3770 173.5783 129 D 4.7461 8.7542 121.3977 52.9392 39.7096 177.1594 130 G 4.0791 8.1802 107.6450 45.9476 0.0000 174.9080 131 K 4.4929 8.0088 117.2783 56.1210 33.9413 175.9881 132 S 4.6221 7.5791 111.2005 57.6102 65.3250 174.3331 133 N 4.4326 8.3682 117.9755 53.4392 36.7655 174.2375 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 0 G 8.35 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 T 8.83 4.04 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 1.21 0.00 0.00 4 H 7.83 4.52 0.00 3.01 2.91 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 7.70 4.13 0.00 3.02 3.02 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 6 S 7.45 4.57 0.00 3.98 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 7 D 8.04 4.62 0.00 2.80 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 8 N 8.29 4.39 0.00 2.92 2.84 0.00 0.00 7.07 7.22 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 9 T 7.89 3.90 4.42 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 1.33 0.00 0.00 10 L 8.09 4.04 0.00 2.03 1.81 0.98 0.79 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 11 K 8.13 3.99 0.00 1.91 2.00 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.51 7.81 12 V 8.40 3.69 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 1.11 0.00 0.00 1.16 0.00 0.00 13 A 8.40 4.43 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.88 4.46 0.00 3.54 3.47 0.00 5.63 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 15 Q 8.42 3.93 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 16 G 8.55 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 0.00 0.00 0.00 17 F 8.96 4.10 0.00 2.28 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 18 E 8.42 3.83 0.00 1.85 1.69 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 2.47 2.38 0.00 19 F 7.87 4.59 0.00 3.37 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 20 F 8.19 3.61 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.55 3.34 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 1.02 0.00 0.00 22 Q 7.82 3.80 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 23 G 7.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 6.95 3.75 0.00 1.42 1.58 0.50 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.83 4.12 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 26 T 7.35 4.22 4.11 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 1.09 0.00 0.00 27 G 8.04 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.52 4.36 0.00 1.82 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 2.30 2.30 0.00 29 W 8.40 4.56 0.00 3.35 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 30 Q 7.93 3.96 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 31 K 7.66 3.55 0.00 1.18 0.74 0.00 1.62 0.00 0.00 1.16 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.96 1.17 7.81 32 F 7.87 4.43 0.00 3.02 3.35 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 33 L 7.88 3.85 0.00 1.75 1.63 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.70 4.43 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 3.99 0.00 1.27 0.90 -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.45 4.21 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 38 E 8.73 4.08 0.00 2.01 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 0.00 2.33 2.26 0.00 39 D 7.95 4.89 0.00 2.81 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 40 F 8.27 5.21 0.00 3.34 3.07 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 41 T 7.99 5.09 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 1.20 0.00 0.00 42 F 8.57 5.64 0.00 3.13 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 43 W 9.48 5.50 0.00 3.35 2.89 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 0.00 0.00 0.00 44 F 8.35 5.24 0.00 3.03 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 45 P 0.00 4.16 0.00 1.29 1.63 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.43 0.00 *47 G 7.64 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 48 E 9.04 3.65 0.00 1.63 1.55 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 1.47 1.84 0.00 49 F 7.92 4.49 0.00 2.99 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 50 H 8.14 4.30 0.00 3.11 3.26 0.00 6.02 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.55 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.01 3.97 0.00 1.34 1.26 0.91 0.77 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 53 N 8.42 4.69 0.00 1.44 1.68 0.00 0.00 6.03 7.27 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 54 V 8.46 4.38 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 0.80 0.00 0.00 0.83 0.00 0.00 55 G 9.55 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 56 K 8.55 4.21 0.00 1.85 1.87 0.00 1.94 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.66 7.81 57 E 8.20 3.99 0.00 2.16 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 0.00 2.40 1.93 0.00 58 R 8.16 4.06 0.00 2.03 2.38 0.00 3.74 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.16 0.00 59 A 8.21 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.29 3.90 0.00 1.88 2.01 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 61 E 8.16 3.97 0.00 2.22 2.34 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 2.68 2.47 0.00 62 F 7.93 2.77 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.55 3.00 0.00 2.31 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 64 T 7.55 3.93 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 1.27 0.00 0.00 65 Y 7.55 4.62 0.00 3.17 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 66 V 7.25 3.15 1.78 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 0.75 0.00 0.00 -0.11 0.00 0.00 67 S 7.77 4.53 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 68 E 7.80 4.04 0.00 2.05 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 2.39 2.73 0.00 69 S 7.91 4.53 0.00 3.88 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 70 F 7.58 5.31 0.00 3.18 3.07 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 71 H 8.38 4.40 0.00 3.13 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.76 4.49 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 1.24 0.00 0.00 73 G 8.36 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 74 I 8.11 4.61 1.61 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.35 0.87 0.00 0.00 75 Q 9.19 4.60 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 76 I 8.17 4.53 1.86 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.49 1.11 0.00 0.00 77 S 9.15 4.52 0.00 3.81 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 78 S 8.04 4.68 0.00 3.99 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 79 L 8.73 4.92 0.00 1.82 1.73 1.02 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 80 D 9.16 4.82 0.00 2.62 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.71 4.65 0.00 1.66 1.69 0.00 3.03 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 82 V 8.36 4.62 1.91 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 0.22 0.00 0.00 0.74 0.00 0.00 83 T 8.46 4.80 4.14 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 1.11 0.00 0.00 84 S 8.18 5.04 0.00 3.91 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 85 N 8.83 4.77 0.00 2.89 2.85 0.00 0.00 7.43 7.19 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 86 E 9.05 4.28 0.00 1.99 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 2.31 2.30 0.00 87 T 8.06 4.74 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 1.24 0.00 0.00 88 T 8.88 5.29 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 89 V 9.02 4.72 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 0.34 0.00 0.00 0.99 0.00 0.00 90 V 8.53 4.72 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 0.91 0.00 0.00 0.85 0.00 0.00 91 F 9.14 4.85 0.00 2.70 2.35 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 92 E 9.31 5.25 0.00 1.96 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 2.18 2.16 0.00 93 F 9.03 5.60 0.00 3.36 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 94 R 9.37 5.27 0.00 1.82 1.87 0.00 3.08 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 95 D 8.93 5.70 0.00 3.05 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 96 E 8.82 5.23 0.00 2.12 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 2.20 2.27 0.00 97 G 8.98 4.42 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 0.00 98 L 8.38 4.93 0.00 1.69 1.72 0.96 0.95 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 99 F 9.82 3.99 0.00 2.54 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 0.00 100 L 8.87 3.28 0.00 1.19 1.36 0.50 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.05 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 0.00 102 K 7.71 4.73 0.00 1.85 1.77 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.33 7.81 103 P 0.00 4.67 0.00 2.13 2.15 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 104 Y 9.30 5.05 0.00 3.28 3.43 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 0.00 105 K 8.38 4.84 0.00 1.63 1.48 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.31 1.32 7.81 106 N 8.83 5.14 0.00 2.04 2.55 0.00 0.00 6.94 7.16 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 0.00 107 R 8.36 4.98 0.00 1.62 1.73 0.00 3.09 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 108 V 8.52 4.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.96 0.00 0.00 109 A 9.00 5.18 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 0.00 110 V 8.89 4.76 2.13 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 0.47 0.00 0.00 1.19 0.00 0.00 111 S 9.22 5.23 0.00 3.99 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 0.00 112 F 9.44 5.93 0.00 3.13 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 0.00 113 D 9.09 5.51 0.00 2.83 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 0.00 114 V 8.87 4.84 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 0.82 0.00 0.00 1.13 0.00 0.00 115 R 9.03 4.48 0.00 1.83 1.79 0.00 3.33 0.00 0.00 3.20 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 116 G 8.56 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 0.00 117 D 9.12 4.87 0.00 2.82 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 0.00 118 K 8.06 4.68 0.00 1.80 1.67 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.39 7.81 119 I 8.04 5.10 1.61 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 1.40 0.80 0.96 0.00 0.00 120 C 9.59 5.35 0.00 3.06 3.24 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 0.00 121 S 7.99 4.99 0.00 3.94 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 0.00 122 Y 8.98 5.79 0.00 3.54 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 0.00 123 R 9.17 5.17 0.00 1.81 1.48 0.00 3.16 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 124 E 8.85 5.17 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 125 Y 9.21 4.68 0.00 2.86 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 0.00 126 F 8.84 5.32 0.00 2.92 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.42 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 0.00 128 S 7.88 4.57 0.00 3.74 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 0.00 129 D 8.75 4.75 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 8.18 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 0.00 131 K 8.01 4.49 0.00 1.87 1.82 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.35 7.81 132 S 7.58 4.62 0.00 3.90 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 0.00 133 N 8.37 4.43 0.00 2.77 2.65 0.00 0.00 5.92 7.56 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 * Residues marked with a * may have inaccurate shift predictions.