NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3812 8.1749 110.9401 61.9668 70.1385 172.7171 5 S 4.4611 8.0489 116.1921 57.0917 66.7220 172.6441 6 D 4.8730 9.4114 124.6499 52.4809 44.6045 174.9025 7 L 4.8058 8.1865 122.8530 52.3276 45.4742 176.4775 8 I 3.7708 8.3154 122.9991 60.8207 37.5219 174.5300 9 P 4.2916 0.0000 0.0000 62.4833 31.8222 176.0619 10 A 3.4560 8.1913 124.4638 51.0183 19.0275 175.9647 11 P 4.3403 0.0000 0.0000 61.2689 32.5865 174.5640 12 P 4.3519 0.0000 0.0000 62.2003 32.0529 177.9687 13 L 3.8789 8.3901 121.1747 57.5685 41.8020 179.4457 14 S 4.0409 8.0273 112.2857 60.7051 62.2577 174.6235 15 K 4.3358 7.9771 118.2337 55.6854 31.7950 176.2112 16 V 4.2494 7.3986 118.9526 60.2244 33.0062 173.7514 17 P 4.4147 0.0000 0.0000 62.2576 32.0035 174.8675 18 L 5.0027 7.8930 121.4336 52.8329 44.2240 175.7500 19 Q 4.1081 8.8286 128.4341 56.8072 29.3055 176.3620 20 Q 4.1559 8.8071 124.5014 56.1227 29.9102 175.0410 21 N 4.1549 8.7313 117.1727 54.1454 37.4271 174.4333 22 F 4.4087 8.3308 118.1495 58.9204 40.2713 174.2189 23 Q 4.3284 8.4550 127.2374 53.4735 29.2828 175.6261 24 D 4.9001 8.5521 128.3347 56.4174 39.1889 178.7651 25 N 4.3254 8.1394 120.0001 57.7032 37.3942 178.9707 26 Q 4.4499 7.4211 117.5727 56.9284 28.9994 177.1616 27 F 5.0315 7.9631 120.7208 57.6834 40.0586 175.3852 28 Q 4.6867 7.1677 114.7173 57.5396 29.4782 177.0441 29 G 3.7199 10.2789 104.3415 44.3573 0.0000 171.5797 30 K 4.6335 7.9137 121.9258 54.6143 33.9744 177.0475 31 W 4.9093 8.7195 126.6578 55.0536 32.5341 174.0907 32 Y 4.5795 9.1905 122.4256 57.1581 39.3909 175.4390 33 V 4.2466 8.3035 124.4111 62.2019 30.3884 175.5697 34 V 3.9023 8.8315 128.4771 64.8847 32.8955 175.6843 35 G 3.7420 7.5486 106.2943 44.3820 0.0000 171.8349 36 L 5.5605 9.1350 122.9687 52.7958 45.8014 175.4934 37 A 5.0576 9.1628 124.8520 50.2130 23.1332 175.1920 38 G 4.0794 8.3621 107.7110 45.6974 0.0000 174.0807 39 N 4.1721 7.6743 116.9874 54.3528 37.3197 175.4902 40 A 4.6806 7.6111 119.3841 51.7389 20.6277 176.0718 41 I 4.1552 7.5240 118.3315 60.6267 38.0467 174.9463 42 L 5.1219 8.0992 123.2359 52.7310 45.2926 176.4719 43 R 3.8686 9.3386 126.4083 58.8674 30.0915 174.5471 44 E 4.3629 9.1419 118.4794 56.4210 32.6085 172.2629 *48 P 4.4338 0.0000 0.0000 62.7154 33.8589 176.9886 49 Q 4.1704 8.4822 124.0749 56.1902 30.0078 175.4069 50 K 4.6492 8.6974 126.0412 56.0173 33.2233 176.6121 51 M 4.4679 8.9291 124.4156 56.0788 33.1132 174.6558 52 Y 5.2066 8.3854 121.1488 55.3594 42.6017 173.3546 53 A 5.2073 9.3720 120.6101 50.4292 22.9957 175.1949 54 T 5.0392 8.9887 115.9952 61.8103 72.5851 173.0934 55 I 4.7181 8.8087 127.4263 59.9888 39.0993 174.5157 56 Y 4.6298 10.1127 129.6541 57.2537 38.4972 175.0420 57 E 4.6288 9.1630 123.7618 54.9608 30.8098 173.6998 58 L 4.2400 8.6749 128.7937 54.2115 42.5256 176.9174 59 K 4.2912 9.3215 129.7381 56.1410 32.9643 178.8333 *60 E 3.8875 8.9016 117.9373 59.2728 29.4833 178.6614 61 D 4.5691 8.1067 116.8003 54.3598 39.7063 177.7877 62 K 4.0863 8.7678 121.5607 54.5584 30.5708 181.2077 63 S 4.9004 9.2481 115.7005 58.8854 65.6520 172.3449 64 Y 5.1431 8.9326 118.0827 56.4748 40.7889 174.7984 65 N 4.8635 9.3053 124.0024 52.4863 40.6524 173.7023 66 V 4.2989 8.7546 127.7315 61.3985 33.3733 174.1785 67 T 4.9571 8.4706 122.9174 60.3724 70.4152 172.5121 68 S 5.2552 9.4412 125.1784 57.0447 65.3460 173.1659 69 V 4.6562 9.0600 124.6765 61.0761 33.8170 174.2797 70 L 5.1794 8.6090 126.9312 52.9102 46.1723 175.5967 71 F 5.3565 9.0436 126.5231 57.6844 40.0853 175.8070 72 R 4.3040 8.9224 127.0114 55.8548 33.4353 172.7630 73 K 3.7712 9.4336 122.6683 56.1167 28.9254 174.9278 74 K 3.9308 7.4485 114.3127 55.4192 29.4656 177.2635 75 K 4.8777 7.9324 117.2071 56.0402 36.4953 174.5334 76 C 5.0392 8.7572 118.2281 56.2305 42.3653 172.6480 77 D 4.9547 9.3580 124.6768 52.6692 42.9747 174.2541 78 Y 5.8662 8.8397 125.7093 55.9051 40.3734 175.6502 *79 W 4.7195 8.6832 126.3278 55.0299 31.9957 170.7647 80 I 4.9353 8.4785 125.4430 58.7455 39.0654 175.2389 81 R 4.8461 9.2729 124.2688 54.7327 34.8041 174.1499 82 T 4.9998 8.5271 116.8290 62.0188 71.6250 173.0124 83 F 5.5927 9.1392 125.9475 56.2616 41.0662 175.1553 84 V 4.9056 8.9453 118.1451 58.0811 33.7471 173.9407 85 P 4.4746 0.0000 0.0000 63.8576 31.7634 176.3824 86 G 4.1896 7.8175 112.0732 44.9993 0.0000 172.6754 87 S 4.3598 8.9324 113.9654 61.0103 62.9966 174.6009 88 Q 4.6595 7.6026 119.4968 52.4048 31.0279 173.3179 89 P 4.4629 0.0000 0.0000 63.5702 31.8781 176.6501 90 G 2.9236 8.3252 109.9955 44.6843 0.0000 172.8069 91 E 4.8511 7.3426 119.1972 54.8797 32.5950 174.9633 92 F 5.3300 8.8826 119.1333 56.6531 44.2355 173.3976 93 T 5.0925 9.2202 110.7772 59.6836 72.5084 172.4801 94 L 4.7258 8.5625 124.5270 54.0769 42.6224 176.6150 95 G 3.7630 9.9782 115.4166 46.7940 0.0000 172.4621 96 N 4.3216 8.9721 119.1965 53.8079 37.8482 175.9005 97 I 3.8385 8.0916 120.4506 64.5430 38.4232 178.1560 98 K 4.2124 8.1022 120.6172 56.9960 31.6520 181.0708 99 S 4.2443 8.1143 110.3478 60.0939 63.4964 173.6810 100 Y 4.3530 8.0204 120.8203 55.7335 37.8556 173.3026 101 P 4.4133 0.0000 0.0000 64.2246 31.9608 177.2830 102 G 3.9301 9.0513 110.9520 45.3226 0.0000 172.4041 103 L 4.7816 7.8027 122.3428 54.6521 41.9300 175.8134 104 T 4.7117 8.6887 117.1143 62.1846 70.6926 174.8433 105 S 4.8479 7.8969 115.6034 57.3328 66.7150 172.4973 106 Y 5.0844 8.3093 121.4584 56.6446 41.7820 173.4059 107 L 5.0007 8.7854 127.9518 53.4304 46.3697 174.8091 108 V 4.7049 8.8486 124.3876 61.0619 35.1602 174.4038 109 R 4.6367 8.9298 127.4883 54.5208 33.4488 174.0984 110 V 3.6485 8.4854 128.2924 63.1082 31.6684 176.7908 111 V 4.0146 8.3218 129.1213 65.1894 31.8564 176.1732 112 S 4.7580 7.3111 113.2261 57.5865 65.6845 172.5681 113 T 4.6250 8.2506 118.0524 61.8614 70.6376 172.4577 114 N 4.8762 7.9952 120.8516 51.9415 38.1409 176.2736 115 Y 4.1650 8.1767 122.9465 59.4699 37.5652 170.4040 116 N 4.7461 8.8290 113.8355 53.0244 38.2408 174.3936 117 Q 4.6748 8.8215 116.6669 57.1113 31.4936 174.6870 118 H 5.6435 8.3082 112.2917 54.4205 32.4996 171.1288 119 A 5.0631 8.8400 119.6149 50.9745 23.3225 174.8072 120 M 5.2638 9.3964 119.3854 53.6858 35.5180 174.4241 121 V 4.6459 8.3745 125.5822 60.9198 35.0079 173.6489 122 F 5.3569 8.7210 129.9043 56.6262 41.8068 174.2049 123 F 5.0319 8.3385 123.6947 55.3913 42.5634 173.8414 124 K 4.9954 8.4980 124.3260 54.3806 35.5264 174.9739 125 K 5.0913 9.0853 124.9944 55.3817 37.1144 175.1789 126 V 5.6499 9.1037 120.1138 60.2291 34.3122 174.3317 127 S 5.6092 8.3238 122.0102 56.0498 66.3687 174.2180 128 Q 3.6775 9.3766 121.6966 57.5166 25.8066 173.4312 129 N 4.2459 8.5009 110.4585 54.0300 36.8026 174.2041 130 R 4.4307 7.7819 117.2671 54.3763 31.9741 174.7536 131 E 4.7912 8.3486 122.8412 55.4614 30.4380 174.6879 132 Y 5.2960 9.2049 125.2048 56.5195 41.8304 174.7396 133 F 5.4297 9.7592 116.0045 56.1221 41.9117 172.9749 134 K 4.8404 8.5149 117.3967 56.4748 36.3116 174.1681 135 I 5.3293 9.4130 122.7282 59.8560 40.9770 174.5291 136 T 4.9327 8.8970 116.9711 59.8441 71.6781 173.1121 137 L 4.5894 8.9230 128.4079 53.9284 43.3745 174.6091 138 Y 5.3873 9.4194 125.9283 56.7734 40.3501 175.1894 139 G 4.6868 9.3791 109.5665 44.5651 0.0000 173.7657 140 R 4.0319 10.2411 126.3994 58.3048 30.7559 176.2815 141 T 4.7661 7.8350 107.2115 59.3980 71.2832 174.0853 142 K 3.9994 8.1971 119.3143 57.5327 32.2935 176.9653 143 E 4.8475 7.4199 117.0371 54.8012 33.3965 174.9231 144 L 4.4221 8.4502 120.7011 53.2871 45.8849 176.6337 *145 T 4.0133 8.5409 118.5455 63.0260 70.3765 173.4514 146 S 4.3709 8.6770 118.0055 63.2211 62.8583 177.6164 147 E 3.9997 8.0862 120.3977 61.1032 29.7064 180.9063 148 L 4.2299 7.9830 122.2564 58.3037 41.9915 180.3375 149 K 4.3116 8.7065 126.2063 60.3675 31.3585 181.2875 150 E 4.4034 8.3641 117.3932 61.0161 29.7173 182.5895 151 N 4.5975 8.2986 118.0529 56.8306 38.8269 176.4267 152 F 4.4582 8.2704 121.1586 61.5998 39.5087 177.0203 153 I 3.7111 7.9428 118.6994 64.3843 36.9802 178.4258 154 R 3.8844 8.7857 120.2897 59.3521 29.4163 178.2363 155 F 4.2346 8.9342 121.1006 61.5312 39.5238 177.0972 156 S 3.7935 8.6922 115.8465 61.6456 62.5861 177.0184 157 K 4.7903 8.6507 122.8459 58.5529 31.5825 179.4348 158 S 4.1857 7.8403 113.6259 60.3056 62.8937 175.3905 159 L 4.3005 6.8647 120.5048 54.2379 41.6731 177.1471 160 G 3.9595 8.0655 107.7066 44.9655 0.0000 173.6919 161 L 4.4080 7.7705 121.0317 52.7628 42.8286 175.0301 162 P 4.7903 0.0000 0.0000 61.5892 32.7720 176.5746 163 E 3.9848 8.8150 119.6802 59.3407 29.7104 178.4793 164 N 4.4888 8.2275 115.0508 55.0911 37.8810 175.2941 165 H 5.3599 8.2637 115.5932 54.7589 30.2134 173.6732 166 I 4.8993 7.6415 119.8344 59.5023 39.4020 175.3081 167 V 4.4600 9.2227 125.8811 61.2531 35.5515 174.2521 168 F 5.0819 8.6085 123.6473 53.2757 40.0878 172.4623 169 P 4.5488 0.0000 0.0000 63.1465 32.1954 176.1872 170 V 3.9776 8.5547 117.2949 60.3656 32.5241 174.5032 171 P 4.8291 0.0000 0.0000 63.0934 32.1128 175.2388 172 I 4.5095 7.9555 113.2511 60.5189 40.1441 173.9828 173 D 4.7140 7.8244 119.3401 54.9045 42.2450 177.7606 174 Q 3.8973 7.6390 117.1071 56.6077 29.3969 176.9067 175 C 4.3013 8.7292 122.9812 58.9158 39.1201 174.5525 176 I 4.1943 7.6292 108.1083 61.1129 37.4953 175.3816 177 D 4.6514 7.8992 126.3478 54.8760 41.3721 175.5474 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 T 8.17 4.38 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 1.21 0.00 0.00 5 S 8.05 4.46 0.00 3.91 3.75 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 6 D 9.41 4.87 0.00 2.58 2.53 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 0.00 7 L 8.19 4.81 0.00 1.47 1.43 0.37 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.32 3.77 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 1.11 0.00 0.00 9 P 0.00 4.29 0.00 1.98 1.95 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 10 A 8.19 3.46 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 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.34 0.00 1.89 1.71 0.00 3.17 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 12 P 0.00 4.35 0.00 2.10 1.93 0.00 3.45 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 2.02 2.01 0.00 13 L 8.39 3.88 0.00 1.64 1.64 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.03 4.04 0.00 3.76 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 15 K 7.98 4.34 0.00 1.67 1.67 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.26 7.81 16 V 7.40 4.25 1.80 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 0.41 0.00 0.00 0.18 0.00 0.00 17 P 0.00 4.41 0.00 2.07 1.88 0.00 3.43 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 18 L 7.89 5.00 0.00 1.49 1.44 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.83 4.11 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 20 Q 8.81 4.16 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 21 N 8.73 4.15 0.00 2.85 2.94 0.00 0.00 6.96 7.02 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 22 F 8.33 4.41 0.00 2.97 3.03 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 23 Q 8.45 4.33 0.00 1.37 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.51 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 24 D 8.55 4.90 0.00 3.06 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 25 N 8.14 4.33 0.00 2.75 2.89 0.00 0.00 6.93 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 26 Q 7.42 4.45 0.00 1.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 27 F 7.96 5.03 0.00 3.29 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 28 Q 7.17 4.69 0.00 2.66 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.11 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 29 G 10.28 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 0.00 0.00 0.00 30 K 7.91 4.63 0.00 1.57 1.39 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.47 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.72 1.31 7.81 31 W 8.72 4.91 0.00 2.46 2.27 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 32 Y 9.19 4.58 0.00 3.15 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 33 V 8.30 4.25 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 0.52 0.00 0.00 0.56 0.00 0.00 34 V 8.83 3.90 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 0.93 0.00 0.00 1.07 0.00 0.00 35 G 7.55 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.13 5.56 0.00 1.50 1.55 1.13 0.84 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 37 A 9.16 5.06 1.02 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 38 G 8.36 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 39 N 7.67 4.17 0.00 2.75 2.81 0.00 0.00 5.80 7.26 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 40 A 7.61 4.68 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 4.16 2.14 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 1.22 1.21 0.91 0.00 0.00 42 L 8.10 5.12 0.00 1.44 1.48 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 R 9.34 3.87 0.00 1.71 1.90 0.00 3.17 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 44 E 9.14 4.36 0.00 1.60 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.86 0.00 *48 P 0.00 4.43 0.00 1.99 2.09 0.00 3.72 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 49 Q 8.48 4.17 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.09 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 50 K 8.70 4.65 0.00 1.78 1.85 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.54 1.49 7.81 51 M 8.93 4.47 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 52 Y 8.39 5.21 0.00 3.27 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 53 A 9.37 5.21 1.10 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 0.00 0.00 54 T 8.99 5.04 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.25 1.25 7.81 63 S 9.25 4.90 0.00 4.12 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 64 Y 8.93 5.14 0.00 3.01 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 65 N 9.31 4.86 0.00 2.78 2.70 0.00 0.00 6.32 8.34 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 66 V 8.75 4.30 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 0.01 0.00 0.00 -0.25 0.00 0.00 67 T 8.47 4.96 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 1.19 0.00 0.00 68 S 9.44 5.26 0.00 3.75 3.77 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 69 V 9.06 4.66 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 0.72 0.00 0.00 1.01 0.00 0.00 70 L 8.61 5.18 0.00 1.56 1.48 0.66 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 71 F 9.04 5.36 0.00 2.91 3.03 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 72 R 8.92 4.30 0.00 1.70 1.70 0.00 3.46 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 73 K 9.43 3.77 0.00 1.84 1.70 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 0.98 7.81 74 K 7.45 3.93 0.00 1.92 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.01 7.81 75 K 7.93 4.88 0.00 1.75 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.64 7.81 76 C 8.76 5.04 0.00 2.99 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 77 D 9.36 4.95 0.00 2.65 2.42 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 78 Y 8.84 5.87 0.00 2.85 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 *79 W 8.68 4.72 0.00 2.14 2.11 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.25 4.62 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 0.52 0.00 0.00 114 N 8.00 4.88 0.00 3.00 2.89 0.00 0.00 7.29 6.85 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 0.00 115 Y 8.18 4.16 0.00 3.26 3.42 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 0.00 116 N 8.83 4.75 0.00 2.75 2.96 0.00 0.00 6.81 7.25 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 0.00 117 Q 8.82 4.67 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 118 H 8.31 5.64 0.00 3.27 3.46 0.00 5.45 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 0.00 119 A 8.84 5.06 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 0.00 120 M 9.40 5.26 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.85 2.90 0.00 0.00 7.06 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 0.00 130 R 7.78 4.43 0.00 1.95 1.35 0.00 3.00 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.76 0.00 131 E 8.35 4.79 0.00 1.93 1.80 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 2.25 2.49 0.00 132 Y 9.20 5.30 0.00 2.93 2.77 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 0.00 133 F 9.76 5.43 0.00 2.77 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 0.00 134 K 8.51 4.84 0.00 2.00 1.81 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.48 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.57 7.81 135 I 9.41 5.33 2.06 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 1.68 1.07 1.35 0.00 0.00 136 T 8.90 4.93 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 1.42 0.00 0.00 137 L 8.92 4.59 0.00 0.27 1.17 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 9.42 5.39 0.00 2.18 2.37 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 0.00 139 G 9.38 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 0.00 140 R 10.24 4.03 0.00 1.69 1.88 0.00 2.21 0.00 0.00 2.76 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.19 0.00 141 T 7.83 4.77 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 1.24 0.00 0.00 142 K 8.20 4.00 0.00 1.52 1.69 0.00 1.40 0.00 0.00 1.47 0.00 0.00 3.05 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.78 0.21 7.81 143 E 7.42 4.85 0.00 2.00 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 0.00 2.21 2.21 0.00 144 L 8.45 4.42 0.00 1.63 1.55 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *145 T 8.54 4.01 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 1.21 0.00 0.00 146 S 8.68 4.37 0.00 3.84 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 0.00 147 E 8.09 4.00 0.00 1.97 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 2.31 1.97 0.00 148 L 7.98 4.23 0.00 1.79 1.73 0.91 0.29 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 0.00 149 K 8.71 4.31 0.00 1.71 1.84 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.34 7.81 150 E 8.36 4.40 0.00 1.97 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 2.23 2.18 0.00 151 N 8.30 4.60 0.00 2.85 3.13 0.00 0.00 6.82 7.04 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 0.00 152 F 8.27 4.46 0.00 3.23 3.47 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 0.00 153 I 7.94 3.71 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.11 0.97 0.00 0.00 154 R 8.79 3.88 0.00 1.90 2.20 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 155 F 8.93 4.23 0.00 3.19 3.22 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 0.00 156 S 8.69 3.79 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 0.00 157 K 8.65 4.79 0.00 1.86 1.82 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.40 7.81 158 S 7.84 4.19 0.00 3.98 4.13 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 0.00 159 L 6.86 4.30 0.00 1.63 1.47 0.43 0.63 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 0.00 160 G 8.07 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 0.00 161 L 7.77 4.41 0.00 1.83 1.55 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 162 P 0.00 4.79 0.00 2.24 2.20 0.00 3.73 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 2.18 2.03 0.00 163 E 8.81 3.98 0.00 2.09 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 2.43 2.44 0.00 164 N 8.23 4.49 0.00 2.91 3.04 0.00 0.00 6.16 7.90 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 0.00 165 H 8.26 5.36 0.00 3.22 3.37 0.00 5.57 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.64 4.90 2.02 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 0.96 0.70 0.86 0.00 0.00 167 V 9.22 4.46 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 0.91 0.00 0.00 0.94 0.00 0.00 168 F 8.61 5.08 0.00 3.01 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 0.00 169 P 0.00 4.55 0.00 2.15 2.26 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 170 V 8.55 3.98 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 0.78 0.00 0.00 1.04 0.00 0.00 171 P 0.00 4.83 0.00 1.89 1.88 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 172 I 7.96 4.51 1.92 0.00 0.00 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 1.47 0.37 1.06 0.00 0.00 173 D 7.82 4.71 0.00 2.53 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 0.00 174 Q 7.64 3.90 0.00 0.95 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.24 0.00 0.00 0.00 0.00 0.00 1.54 2.08 0.00 175 C 8.73 4.30 0.00 3.09 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 0.00 176 I 7.63 4.19 2.17 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 1.66 0.65 1.06 0.00 0.00 177 D 7.90 4.65 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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.