NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 I 4.5602 8.0093 121.4039 61.5294 38.6626 174.4382 20 T 4.5821 9.0569 117.0218 58.9442 72.1167 171.4784 21 L 5.2721 8.4240 125.3921 54.0988 45.2188 176.3667 22 T 4.8913 8.7740 116.2536 60.0964 72.6509 172.4124 23 Y 5.2992 8.4046 121.8600 55.8030 42.6458 173.3350 24 K 4.6169 8.0632 127.4941 54.0647 34.7292 174.8003 25 E 4.0468 8.7263 128.9227 56.5523 30.2864 177.1699 26 G 4.1512 8.5297 115.1608 45.5660 0.0000 173.1658 27 A 4.2830 8.5301 123.7625 51.0906 19.1821 176.1043 28 P 4.3426 0.0000 0.0000 62.9519 32.0329 175.9611 29 I 4.0767 7.9460 121.0575 60.4825 38.1324 175.5456 30 T 4.3789 8.0927 121.9746 61.7273 69.5477 174.8186 31 I 3.7057 8.1152 127.8097 61.5607 37.8241 176.0435 32 M 4.3836 8.6658 125.1234 54.0397 33.0496 176.9432 33 D 4.2571 8.5090 119.2386 57.2727 41.3586 176.4254 34 N 4.5738 8.1290 114.2176 52.6189 37.5347 175.8934 35 G 3.8064 8.4690 107.6701 45.9151 0.0000 173.0724 36 N 4.9841 8.1108 119.1041 51.5945 41.1436 172.9146 37 I 4.7353 7.6313 111.3303 58.5552 40.5392 174.4239 38 D 4.5373 8.1780 120.3723 53.7117 41.8882 175.9715 39 T 4.3390 8.0631 113.5292 62.2923 69.7938 174.4651 40 E 3.8147 9.1302 120.7766 56.8679 28.0083 174.9221 41 L 4.0436 7.5653 120.0810 54.6477 42.9138 176.6347 42 L 4.5836 8.4136 125.3164 54.7523 41.0096 176.2968 43 V 3.7014 9.2923 128.0367 64.3982 32.9194 175.6832 44 G 4.5184 7.0635 104.8998 46.4901 0.0000 171.1886 45 T 5.1365 7.5828 115.8139 61.6652 71.9052 173.5749 46 L 5.0898 9.2836 127.0532 53.9876 43.9741 175.6784 47 T 4.9511 9.2730 121.1371 61.8712 70.8738 172.9578 48 L 5.2160 9.1376 129.9672 53.6477 43.9579 175.5179 49 G 4.2843 9.4247 112.9229 45.3311 0.0000 173.2587 50 G 4.0499 8.1773 108.8193 44.9961 0.0000 173.8018 51 Y 4.5649 6.5894 117.4405 55.7558 39.5420 174.9839 52 K 4.2124 9.0537 121.3567 55.7851 32.8944 176.1055 53 T 4.0104 8.4434 120.1376 65.8628 68.5469 174.4621 54 G 3.9770 9.0783 114.3154 45.1781 0.0000 173.5053 55 T 3.7923 7.7806 117.5118 64.1347 68.8451 174.0506 56 T 4.9365 8.1221 116.1460 59.6514 71.1540 175.6606 57 S 4.2549 8.8574 116.6535 60.9592 63.1154 176.3691 58 T 4.0963 7.2281 110.1642 63.5462 69.1202 175.6667 59 S 4.2643 7.8522 117.7242 59.3006 63.4174 173.2171 60 V 4.3682 7.3214 122.0032 61.3054 33.1488 173.8578 61 N 5.1826 8.5704 126.4348 51.8083 41.7314 172.8360 62 F 5.0692 9.1873 126.9407 56.8707 40.6042 175.3348 63 T 5.2654 9.8045 114.5645 60.1737 72.4666 172.2989 64 D 5.0056 8.6321 120.6146 52.0839 42.5199 175.1820 65 A 4.0260 8.6447 120.8377 55.1793 17.9983 178.8192 66 A 3.9852 8.1289 118.6512 53.8184 18.5316 178.6137 67 G 3.7016 8.0999 101.9044 46.4942 0.0000 173.1531 68 D 4.4894 7.4582 117.2372 52.4299 41.1339 173.8490 69 P 4.6035 0.0000 0.0000 64.7114 31.6734 176.9537 70 M 3.1412 8.9760 121.4964 55.2607 31.1519 176.3312 71 Y 5.2487 7.3133 115.2247 56.0584 41.6638 175.0427 72 L 4.6665 8.6877 123.0656 54.0934 43.7207 175.6366 73 T 5.0400 9.0287 120.4414 61.8046 70.7163 173.6130 74 F 4.7863 9.0102 125.4700 55.8752 41.8696 174.8589 75 T 5.3373 8.4559 118.7921 61.4703 72.0707 174.0348 76 S 3.8064 8.6763 120.7330 57.8882 64.0438 173.8188 77 Q 4.5404 7.6115 118.7558 55.9735 28.7889 176.2770 78 D 4.6555 8.1125 115.3158 52.7465 39.9286 177.0744 79 G 3.9086 8.1577 107.6845 45.9824 0.0000 173.8323 80 N 4.5361 8.4899 115.9461 52.3216 39.7017 174.3920 81 N 4.1311 7.9191 114.1667 54.5073 35.9759 174.1284 82 H 4.7173 7.8760 115.0155 56.1330 30.5963 176.0766 83 Q 6.0186 9.0700 119.5388 53.5469 33.4995 173.8393 84 F 5.4693 8.3944 115.8535 55.4712 41.9908 173.5898 85 T 5.2926 8.9188 110.6686 60.7481 71.8053 173.2555 86 T 5.3782 8.9619 111.8681 60.2486 73.0098 172.4996 87 K 5.0993 9.2966 121.3985 55.1459 36.3810 175.0675 88 V 4.8472 8.3531 120.1675 61.3390 33.5012 174.7241 89 I 4.9199 9.1433 128.9538 59.8110 41.2690 175.3939 90 G 4.2968 9.6016 114.4982 44.4192 0.0000 171.7281 91 K 5.4015 8.3827 118.0895 54.7359 35.5918 176.8688 92 D 4.7975 8.7468 124.0350 52.1355 41.7018 177.0251 93 S 4.2100 8.5749 114.0779 60.9418 62.8661 175.2401 94 R 4.3065 7.9925 115.0854 55.1965 29.3689 175.5060 95 D 4.5335 8.1052 115.8157 55.6025 40.3464 173.6660 96 F 4.6706 8.6245 115.6637 56.2721 39.7972 174.8610 97 D 4.9861 8.5886 123.4817 54.8415 41.6368 175.7928 98 I 4.4003 9.5419 125.1333 59.8972 39.4753 174.6912 99 S 5.1055 8.7696 123.4507 55.6766 62.5479 171.7064 100 P 5.0951 0.0000 0.0000 61.4114 32.5762 176.2988 101 K 4.3792 8.8682 120.5375 56.5318 33.5763 176.5553 102 V 4.6884 8.4528 123.1531 61.5154 34.4738 175.2283 103 N 4.2461 10.7526 127.5662 54.2791 36.6763 175.3788 104 G 3.9876 9.4719 104.7415 45.2649 0.0000 173.6776 105 E 4.8127 7.5693 117.5366 54.7851 35.3931 176.6302 106 N 4.5325 10.3286 121.0363 53.5593 37.6119 177.2807 *107 L 5.2363 9.1428 135.0000 55.9653 40.9126 175.1247 *111 D 4.4257 7.5206 116.0695 54.6234 41.8101 174.3767 112 V 4.5489 8.5584 126.2427 60.7061 35.2525 174.6769 113 V 4.1428 8.4387 127.4147 62.8228 31.8308 175.7762 114 L 4.4059 8.5547 128.0416 54.2087 42.5189 177.1135 115 A 4.1471 8.9313 124.2915 52.3880 18.9871 177.7097 116 T 4.0341 8.2827 117.6185 65.2837 69.0709 173.8456 117 G 4.1541 10.1760 122.3607 43.8153 0.0000 172.6643 118 S 4.9684 7.0230 110.1972 57.0106 66.5329 174.1104 119 Q 4.4082 8.9961 122.4089 54.7806 32.3463 173.4882 120 D 4.8682 8.4689 126.4437 54.0653 42.2303 175.7959 121 F 4.6069 8.8746 120.9369 55.5738 42.8583 174.1671 122 F 4.9608 8.8400 123.7700 57.2405 40.3919 174.8621 123 V 4.5533 9.0461 124.3827 62.2836 32.7278 174.7747 124 R 5.8941 9.1499 127.1825 53.2225 33.4099 175.7300 125 S 4.2747 8.7282 117.8654 59.0151 63.9792 172.6879 126 I 4.2825 8.4014 119.9771 60.3386 38.7675 176.7874 127 G 3.8536 7.5312 106.2764 45.1633 0.0000 172.2300 128 S 4.6753 8.9213 114.5126 58.2348 62.7218 174.3534 129 K 4.1577 9.1254 124.9428 57.2812 32.2692 177.8519 130 G 4.1977 8.0927 109.8433 46.2391 0.0000 173.9900 131 G 3.9840 8.8457 112.9161 44.3973 0.0000 172.6201 132 K 4.3815 8.2343 117.8248 56.3228 32.6065 177.3566 133 L 4.4796 8.6585 124.0729 54.0379 42.9639 176.0638 134 A 4.6333 7.7629 123.8602 50.2718 19.9966 177.4603 135 A 4.1496 8.9240 125.3505 51.7760 19.3542 178.5762 136 G 3.9283 7.9289 106.0889 45.9166 0.0000 171.1490 137 K 4.7946 8.0611 118.9704 55.3387 34.2143 175.3837 138 Y 5.2319 8.9879 121.5220 56.4474 41.0854 174.9682 139 T 4.9525 8.8017 112.4900 60.1400 72.7278 172.3536 140 D 4.6540 8.2196 120.7691 52.6348 44.2122 174.4918 141 A 4.1727 8.5776 129.3429 51.5686 18.3892 176.1250 142 V 4.5294 8.0857 122.3334 62.2311 33.3028 175.1173 143 T 4.8666 9.1464 124.2998 61.6218 71.7553 173.2113 144 V 4.5602 8.3656 124.3420 60.0792 33.9524 174.8468 145 T 4.4679 8.7376 121.2123 61.6775 71.1444 173.0757 146 V 4.6426 8.3212 126.6997 61.4854 32.9536 175.5951 147 S 4.4964 8.9921 125.2718 57.0362 64.9663 173.2486 148 N 4.1597 8.4539 114.6028 54.7129 35.9683 174.7742 149 Q 4.2351 8.1338 120.8404 56.1510 29.0250 175.9838 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 19 I 8.01 4.56 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.09 0.95 0.00 0.00 20 T 9.06 4.58 4.28 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 1.22 0.00 0.00 21 L 8.42 5.27 0.00 1.70 1.64 1.29 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.77 4.89 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 23 Y 8.40 5.30 0.00 3.11 2.87 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 24 K 8.06 4.62 0.00 1.73 1.44 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.26 7.81 25 E 8.73 4.05 0.00 2.11 1.87 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 2.48 2.67 0.00 26 G 8.53 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 27 A 8.53 4.28 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 28 P 0.00 4.34 0.00 2.03 2.01 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 29 I 7.95 4.08 1.55 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 1.12 0.30 0.57 0.00 0.00 30 T 8.09 4.38 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 1.17 0.00 0.00 31 I 8.12 3.71 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.87 0.00 0.00 32 M 8.67 4.38 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 33 D 8.51 4.26 0.00 2.61 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 34 N 8.13 4.57 0.00 2.84 2.88 0.00 0.00 6.08 7.00 0.00 0.00 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 G 8.47 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 36 N 8.11 4.98 0.00 2.76 2.70 0.00 0.00 6.67 7.58 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 37 I 7.63 4.74 1.62 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.59 0.00 0.00 38 D 8.18 4.54 0.00 2.57 2.52 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 0.00 0.00 0.00 0.00 39 T 8.06 4.34 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 1.24 0.00 0.00 40 E 9.13 3.81 0.00 2.07 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 2.23 2.40 0.00 41 L 7.57 4.04 0.00 1.54 1.51 0.80 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.41 4.58 0.00 1.55 1.57 1.08 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.29 3.70 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 44 G 7.06 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.58 5.14 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 1.05 0.00 0.00 46 L 9.28 5.09 0.00 1.74 1.75 0.45 0.66 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 47 T 9.27 4.95 4.30 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 1.28 0.00 0.00 48 L 9.14 5.22 0.00 2.25 2.15 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.42 4.28 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 0.00 50 G 8.18 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 6.59 4.56 0.00 3.15 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 52 K 9.05 4.21 0.00 2.09 1.77 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 53 T 8.44 4.01 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 54 G 9.08 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.78 3.79 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 1.03 0.00 0.00 56 T 8.12 4.94 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 S 8.86 4.25 0.00 4.08 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 0.00 58 T 7.23 4.10 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 1.21 0.00 0.00 59 S 7.85 4.26 0.00 3.92 4.05 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 0.00 0.00 0.00 60 V 7.32 4.37 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 0.49 0.00 0.00 0.82 0.00 0.00 61 N 8.57 5.18 0.00 2.75 2.50 0.00 0.00 6.75 7.05 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 62 F 9.19 5.07 0.00 2.99 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 63 T 9.80 5.27 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 64 D 8.63 5.01 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.64 4.03 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 66 A 8.13 3.99 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 67 G 8.10 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 68 D 7.46 4.49 0.00 2.78 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 69 P 0.00 4.60 0.00 2.00 2.02 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 70 M 8.98 3.14 0.00 1.66 1.17 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 71 Y 7.31 5.25 0.00 2.88 2.83 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 72 L 8.69 4.67 0.00 1.76 1.58 0.82 0.45 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 73 T 9.03 5.04 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 1.18 0.00 0.00 74 F 9.01 4.79 0.00 1.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 5.34 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 1.22 0.00 0.00 76 S 8.68 3.81 0.00 3.39 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 77 Q 7.61 4.54 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 78 D 8.11 4.66 0.00 2.72 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 79 G 8.16 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 80 N 8.49 4.54 0.00 2.75 2.69 0.00 0.00 6.94 7.97 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 81 N 7.92 4.13 0.00 2.83 2.86 0.00 0.00 7.00 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 82 H 7.88 4.72 0.00 3.31 3.47 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.07 6.02 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 84 F 8.39 5.47 0.00 3.14 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 85 T 8.92 5.29 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 1.18 0.00 0.00 86 T 8.96 5.38 4.52 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 0.00 0.00 0.00 1.40 0.00 0.00 87 K 9.30 5.10 0.00 1.90 2.15 0.00 1.34 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.44 7.81 88 V 8.35 4.85 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 0.41 0.00 0.00 0.75 0.00 0.00 89 I 9.14 4.92 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.98 1.08 0.00 0.00 90 G 9.60 4.30 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 0.00 91 K 8.38 5.40 0.00 1.76 1.79 0.00 2.02 0.00 0.00 2.04 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.51 7.81 92 D 8.75 4.80 0.00 2.90 2.87 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 93 S 8.57 4.21 0.00 3.85 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 94 R 7.99 4.31 0.00 1.51 1.78 0.00 2.21 0.00 0.00 2.71 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.57 0.00 95 D 8.11 4.53 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.62 4.67 0.00 3.47 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 97 D 8.59 4.99 0.00 2.59 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 98 I 9.54 4.40 1.99 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 1.19 0.77 1.07 0.00 0.00 99 S 8.77 5.11 0.00 3.91 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 0.00 100 P 0.00 5.10 0.00 2.05 1.85 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.37 0.00 101 K 8.87 4.38 0.00 1.81 1.80 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.48 7.81 102 V 8.45 4.69 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 0.95 0.00 0.00 0.94 0.00 0.00 103 N 10.75 4.25 0.00 2.90 2.82 0.00 0.00 7.34 5.12 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 0.00 104 G 9.47 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 0.00 0.00 0.00 105 E 7.57 4.81 0.00 1.89 1.70 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 2.25 2.27 0.00 106 N 10.33 4.53 0.00 2.68 2.42 0.00 0.00 6.77 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 L 9.14 5.24 0.00 1.77 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 *111 D 7.52 4.43 0.00 2.67 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 0.00 112 V 8.56 4.55 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 1.05 0.00 0.00 1.01 0.00 0.00 113 V 8.44 4.14 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 0.88 0.00 0.00 0.93 0.00 0.00 114 L 8.55 4.41 0.00 1.29 1.46 0.24 0.76 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 0.00 115 A 8.93 4.15 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 0.00 116 T 8.28 4.03 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 1.20 0.00 0.00 117 G 10.18 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 0.00 118 S 7.02 4.97 0.00 4.02 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 0.00 119 Q 9.00 4.41 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.05 0.00 0.00 0.00 0.00 0.00 1.48 1.23 0.00 120 D 8.47 4.87 0.00 2.29 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 0.00 0.00 0.00 121 F 8.87 4.61 0.00 2.86 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 0.00 122 F 8.84 4.96 0.00 3.26 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 0.00 123 V 9.05 4.55 2.30 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 1.17 0.00 0.00 1.10 0.00 0.00 124 R 9.15 5.89 0.00 1.82 1.82 0.00 3.53 0.00 0.00 3.48 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 125 S 8.73 4.27 0.00 3.78 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 0.00 126 I 8.40 4.28 1.94 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 1.19 0.71 0.78 0.00 0.00 127 G 7.53 3.85 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 0.00 0.00 0.00 128 S 8.92 4.68 0.00 3.85 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 0.00 129 K 9.13 4.16 0.00 1.91 1.88 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.41 7.81 130 G 8.09 4.20 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 0.00 131 G 8.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 8.23 4.38 0.00 1.65 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.60 1.48 7.81 133 L 8.66 4.48 0.00 1.49 1.67 0.76 1.13 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 0.00 134 A 7.76 4.63 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 0.00 135 A 8.92 4.15 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 0.00 136 G 7.93 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 0.00 137 K 8.06 4.79 0.00 1.85 1.82 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 138 Y 8.99 5.23 0.00 2.93 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 0.00 139 T 8.80 4.95 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 1.26 0.00 0.00 140 D 8.22 4.65 0.00 1.58 1.71 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 0.00 141 A 8.58 4.17 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 0.00 142 V 8.09 4.53 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 0.95 0.00 0.00 0.86 0.00 0.00 143 T 9.15 4.87 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 1.18 0.00 0.00 144 V 8.37 4.56 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 0.68 0.00 0.00 0.06 0.00 0.00 145 T 8.74 4.47 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 1.16 0.00 0.00 146 V 8.32 4.64 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 0.80 0.00 0.00 0.87 0.00 0.00 147 S 8.99 4.50 0.00 3.70 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 0.00 148 N 8.45 4.16 0.00 2.82 2.87 0.00 0.00 6.80 7.69 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 0.00 149 Q 8.13 4.24 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.