NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 K 4.3575 8.3149 120.1503 56.7738 33.1782 175.9232 25 D 4.5290 8.5297 126.5976 55.2707 40.8062 172.9384 26 Y 4.9711 7.4164 117.0766 56.4105 40.4264 175.0786 27 S 5.0835 9.0704 116.8506 57.4099 67.1137 172.8497 28 L 5.0404 8.6280 121.9952 53.8147 45.1269 175.2856 29 T 4.6760 8.8667 123.1183 62.4198 70.7304 172.8490 30 M 4.7408 8.5106 124.3352 54.2090 35.1628 174.2822 31 Q 4.2169 8.8185 121.7527 56.8127 29.4292 176.9042 32 S 4.5427 8.6460 115.2335 60.9736 64.1394 174.0603 33 S 5.3862 7.9872 113.5468 56.8628 67.0834 173.9494 34 V 4.5894 8.8603 120.9583 60.5928 34.9350 174.0355 35 T 5.1548 8.4765 119.0327 62.0896 71.7454 173.5077 36 V 4.5949 8.6853 118.0622 59.7249 36.8389 174.6638 37 Q 4.7235 8.4406 120.5104 54.6232 30.6115 175.2991 38 E 4.1710 8.7030 123.2471 58.4060 29.9294 177.5956 39 G 3.9610 9.0801 115.1508 45.3906 0.0000 173.3446 40 M 4.5534 7.8552 119.7986 54.9939 33.6760 174.7703 41 C 5.4120 8.2102 114.1950 56.9260 32.8871 173.5421 42 V 4.4077 8.4547 117.7077 61.0937 34.6995 171.9747 43 H 5.1844 8.6707 119.2913 54.0860 31.3907 173.3809 44 V 4.1996 8.7856 126.6422 61.4321 32.9819 175.8005 45 R 4.3897 8.5134 128.9641 57.5145 30.2368 173.1106 46 C 5.2595 8.7274 121.6428 55.0696 45.8820 172.8004 47 S 5.4460 8.7775 119.5160 57.0096 66.5647 172.5151 48 F 5.4126 8.3828 115.7137 55.9615 41.5241 173.1533 49 S 4.7032 9.3686 112.7363 57.5133 66.4517 172.4788 50 Y 4.7768 7.2793 117.1158 55.0108 40.9190 172.4527 51 P 4.1291 0.0000 0.0000 63.2420 31.7180 176.1867 52 V 4.1300 7.8167 123.9140 59.8127 33.8715 175.7171 *56 T 4.0066 8.1915 117.6568 65.0009 68.5433 175.1031 57 D 4.8675 8.1168 123.9875 52.0394 43.4842 174.1506 58 S 4.4446 8.0777 120.4461 57.9380 62.6630 177.3851 59 D 4.1330 9.3577 115.0678 52.1110 39.5065 171.3407 60 P 4.1797 0.0000 0.0000 63.6445 31.4856 175.3997 61 V 4.3488 8.1950 121.2084 61.9885 32.8534 174.5745 62 H 5.0206 9.6031 125.3335 53.9470 31.4313 173.6721 63 G 4.2176 8.8823 109.1388 44.6049 0.0000 171.5323 64 Y 4.8131 7.3970 118.3579 55.8118 42.7510 174.0001 65 W 5.0351 9.1494 123.8371 55.0194 31.8305 175.1364 66 F 5.0580 8.9639 122.6876 55.4017 42.3853 174.2445 67 R 4.1504 8.6502 121.7046 55.6557 30.7865 177.2056 68 A 4.5401 8.6651 129.7127 49.8841 16.2515 177.8374 *75 K 4.2917 7.9895 126.1142 55.6182 33.4932 178.0887 76 A 4.6173 8.9505 118.4721 50.3915 19.0802 175.9813 77 P 3.8645 0.0000 0.0000 62.6101 31.9630 177.7973 78 V 3.7552 8.3052 113.4867 63.9775 32.1909 176.3367 79 A 4.7306 7.5555 120.1137 51.3384 22.4384 175.0016 80 T 4.7080 8.4445 112.1660 62.2267 70.1210 172.7208 81 N 4.6087 8.5240 122.7651 52.5139 37.9909 174.2304 82 N 4.6093 7.7785 119.5603 51.4911 38.6379 173.6856 83 P 4.4478 0.0000 0.0000 64.5383 31.4512 176.8907 84 A 4.3883 8.4177 121.2548 52.5600 19.0416 176.9975 85 W 4.6829 8.1303 116.1812 54.3946 31.2485 175.9517 86 A 4.3511 8.5334 125.5470 52.0273 18.7770 176.9267 87 V 4.6523 7.8803 112.8552 59.0460 34.1891 176.0930 88 Q 4.1186 8.5539 120.7604 56.4462 28.8481 178.4620 89 E 3.8208 8.7836 121.3670 59.3119 29.9480 179.2063 90 E 3.9633 8.2432 117.7799 58.7305 29.8319 177.5508 91 T 4.3288 7.2698 106.3602 60.6742 69.4313 174.1627 92 R 4.0301 7.1836 122.7240 58.3928 30.2860 176.1501 93 D 4.6315 8.9299 122.2742 54.9519 39.0430 174.2003 94 R 4.6049 8.1595 118.1151 56.3842 33.4715 175.6055 95 F 5.0352 8.2545 116.6042 56.2993 40.7033 175.4646 96 H 4.8861 8.9328 119.4479 54.0506 33.4500 172.7863 97 L 4.5244 8.7038 124.8616 54.5686 40.9830 175.7226 98 L 4.1395 8.5305 129.2400 57.5539 42.7765 177.5047 99 G 3.8521 8.2347 104.9448 45.9277 0.0000 173.2439 100 D 4.8774 8.5031 121.0943 51.7648 41.6647 175.4742 101 P 4.9223 0.0000 0.0000 65.6579 31.6307 178.5969 102 Q 4.0451 8.6739 119.0326 58.3775 28.9972 176.7316 103 T 4.4828 8.0459 107.3365 60.8567 69.1585 174.0860 104 K 2.7354 8.0801 119.2814 57.9234 30.0415 174.3030 105 N 5.3044 8.4035 116.5265 52.1452 40.5518 172.5025 106 C 4.7823 8.6182 119.2840 55.1940 44.0437 174.0339 107 T 4.1686 8.1858 116.6825 65.0343 69.2514 172.4897 108 L 4.9924 8.5224 128.1489 53.1396 44.5182 175.0446 109 S 5.1172 8.8253 120.3533 56.5288 66.2271 172.9150 110 I 4.6191 8.5372 122.7850 59.3516 40.4891 174.6208 111 R 4.7129 8.5190 122.7046 53.9312 32.4891 174.4930 112 D 4.3775 8.6231 116.6661 54.4457 39.8017 173.8961 113 A 4.2265 7.8777 121.2114 53.0962 19.4874 177.4633 114 R 4.9959 9.2013 120.5971 54.1652 33.5992 176.9077 115 M 4.0816 8.8176 120.4791 58.7936 32.0345 178.9311 116 S 4.3619 7.9954 110.8353 60.3264 63.2848 174.7087 117 D 4.5990 8.3497 120.7915 56.0147 40.9880 176.7714 118 A 4.3506 7.9179 122.8959 51.3253 19.0967 178.0007 119 G 3.9811 7.5379 108.5416 45.2584 0.0000 171.1173 120 R 5.3741 7.7358 117.7172 54.8759 32.9341 175.3653 121 Y 5.5972 9.2516 119.2216 56.4375 42.5547 174.3723 122 F 5.6265 9.3372 116.5694 55.3689 42.0569 173.2350 123 F 4.4875 8.6334 121.7073 56.5805 41.6706 174.2622 124 R 5.1715 7.5339 124.2550 54.6001 33.6964 173.7340 125 M 5.0914 8.9069 121.8719 53.6572 35.0823 174.2844 126 E 5.2122 8.9275 118.6589 55.0264 34.7515 174.6996 127 K 4.5101 9.7663 126.8241 54.7282 34.9222 176.4951 128 G 3.8802 9.0350 122.3802 47.8561 0.0000 174.9248 129 N 4.6243 8.9397 121.5650 52.7250 37.9609 174.3094 130 I 4.2633 8.2734 120.4551 61.6762 37.5704 174.7660 131 K 5.1056 8.2748 125.9899 54.5874 35.5845 175.1506 132 W 4.0302 8.6936 132.2021 56.6410 34.9346 172.4556 133 N 4.8827 7.7921 124.9334 51.7974 39.2016 176.0274 134 Y 4.5489 9.1186 127.9863 57.5564 36.5088 177.1410 135 K 3.9241 7.4935 119.3884 55.7368 32.3763 178.4719 136 Y 4.6336 7.8293 114.1413 58.9940 39.1512 175.3669 137 D 5.1182 7.8385 118.6658 53.1840 41.3859 175.3112 138 Q 4.8278 7.9558 117.9812 55.7458 30.9084 176.8606 139 L 4.9445 9.3743 123.9390 53.7049 44.5204 175.1990 140 S 5.1969 9.3784 123.3810 57.4668 64.7076 173.1388 141 V 4.7072 9.1888 126.0572 61.3303 33.4755 174.0682 142 N 5.4418 9.2480 125.5220 51.4271 41.5803 173.7107 143 V 5.0446 8.4555 122.3131 61.2167 34.7169 175.1946 144 T 4.3198 8.8600 117.0769 61.9145 68.9607 173.6326 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 24 K 8.31 4.36 0.00 1.90 1.11 0.00 1.93 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.63 7.81 25 D 8.53 4.53 0.00 2.52 2.44 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 26 Y 7.42 4.97 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.07 5.08 0.00 4.01 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 28 L 8.63 5.04 0.00 1.23 1.65 0.61 1.05 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 29 T 8.87 4.68 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 30 M 8.51 4.74 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 31 Q 8.82 4.22 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 32 S 8.65 4.54 0.00 3.86 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 33 S 7.99 5.39 0.00 3.71 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 34 V 8.86 4.59 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.86 0.00 0.00 35 T 8.48 5.15 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 36 V 8.69 4.59 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 0.68 0.00 0.00 0.94 0.00 0.00 37 Q 8.44 4.72 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 38 E 8.70 4.17 0.00 2.00 1.89 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 2.34 2.40 0.00 39 G 9.08 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 40 M 7.86 4.55 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 41 C 8.21 5.41 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.45 4.41 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 0.54 0.00 0.00 0.84 0.00 0.00 43 H 8.67 5.18 0.00 2.93 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.79 4.20 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 0.91 0.00 0.00 0.76 0.00 0.00 45 R 8.51 4.39 0.00 1.64 1.71 0.00 3.35 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 46 C 8.73 5.26 0.00 3.03 3.05 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 47 S 8.78 5.45 0.00 3.77 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 48 F 8.38 5.41 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.37 4.70 0.00 3.66 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 7.28 4.78 0.00 2.81 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 51 P 0.00 4.13 0.00 1.84 1.91 0.00 2.92 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 52 V 7.82 4.13 1.68 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 0.55 0.00 0.00 0.95 0.00 0.00 *56 T 8.19 4.01 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 1.23 0.00 0.00 57 D 8.12 4.87 0.00 2.63 2.41 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 0.00 0.00 0.00 0.00 58 S 8.08 4.44 0.00 3.99 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.36 4.13 0.00 2.92 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 60 P 0.00 4.18 0.00 2.03 2.10 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 61 V 8.19 4.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.03 0.00 0.00 62 H 9.60 5.02 0.00 3.00 2.58 0.00 5.63 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 63 G 8.88 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 64 Y 7.40 4.81 0.00 2.49 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 65 W 9.15 5.04 0.00 3.28 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 66 F 8.96 5.06 0.00 1.74 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.65 4.15 0.00 1.60 1.76 0.00 3.15 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.00 68 A 8.67 4.54 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 *75 K 7.99 4.29 0.00 1.81 1.43 0.00 2.01 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 76 A 8.95 4.62 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 77 P 0.00 3.86 0.00 2.03 1.04 0.00 4.15 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 78 V 8.31 3.76 1.74 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 0.64 0.00 0.00 1.16 0.00 0.00 79 A 7.56 4.73 1.39 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 80 T 8.44 4.71 4.12 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 0.00 0.00 0.00 1.31 0.00 0.00 81 N 8.52 4.61 0.00 2.86 2.87 0.00 0.00 5.94 8.04 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 82 N 7.78 4.61 0.00 2.28 2.57 0.00 0.00 6.95 7.03 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 83 P 0.00 4.45 0.00 2.26 2.20 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 84 A 8.42 4.39 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.13 4.68 0.00 3.46 3.29 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 86 A 8.53 4.35 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.88 4.65 2.17 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 0.82 0.00 0.00 0.95 0.00 0.00 88 Q 8.55 4.12 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 89 E 8.78 3.82 0.00 1.99 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 2.40 2.28 0.00 90 E 8.24 3.96 0.00 1.87 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 2.30 2.35 0.00 91 T 7.27 4.33 3.54 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 0.00 0.00 0.45 0.00 0.00 92 R 7.18 4.03 0.00 2.02 1.95 0.00 3.43 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 93 D 8.93 4.63 0.00 2.91 2.84 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 94 R 8.16 4.60 0.00 1.91 2.20 0.00 3.45 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 95 F 8.25 5.04 0.00 2.66 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 96 H 8.93 4.89 0.00 3.04 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.70 4.52 0.00 1.86 1.71 1.26 1.08 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 98 L 8.53 4.14 0.00 1.57 1.71 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.23 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 0.00 100 D 8.50 4.88 0.00 2.74 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 0.00 101 P 0.00 4.92 0.00 2.52 2.43 0.00 3.73 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 102 Q 8.67 4.05 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.36 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 103 T 8.05 4.48 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 1.27 0.00 0.00 104 K 8.08 2.74 0.00 1.70 1.56 0.00 1.36 0.00 0.00 1.33 0.00 0.00 2.32 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.06 1.16 7.81 105 N 8.40 5.30 0.00 2.66 2.94 0.00 0.00 7.02 7.65 0.00 0.00 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 C 8.62 4.78 0.00 1.87 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 0.00 107 T 8.19 4.17 4.32 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 1.16 0.00 0.00 108 L 8.52 4.99 0.00 0.87 0.90 0.38 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.83 5.12 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 4.62 1.43 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.21 0.51 0.00 0.00 111 R 8.52 4.71 0.00 1.74 1.83 0.00 3.22 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 112 D 8.62 4.38 0.00 2.74 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 0.00 113 A 7.88 4.23 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 0.00 114 R 9.20 5.00 0.00 1.87 1.83 0.00 3.19 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 115 M 8.82 4.08 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 116 S 8.00 4.36 0.00 3.99 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 0.00 117 D 8.35 4.60 0.00 2.93 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 0.00 118 A 7.92 4.35 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 0.00 119 G 7.54 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 0.00 120 R 7.74 5.37 0.00 1.79 2.07 0.00 3.29 0.00 0.00 3.39 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 121 Y 9.25 5.60 0.00 3.12 3.19 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 0.00 122 F 9.34 5.63 0.00 3.33 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 0.00 123 F 8.63 4.49 0.00 1.51 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 0.00 124 R 7.53 5.17 0.00 2.01 1.69 0.00 3.04 0.00 0.00 2.97 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 125 M 8.91 5.09 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 3.03 0.00 126 E 8.93 5.21 0.00 2.06 1.94 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 2.28 2.36 0.00 127 K 9.77 4.51 0.00 1.64 1.55 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.44 1.41 7.81 128 G 9.03 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 0.00 0.00 0.00 129 N 8.94 4.62 0.00 2.76 2.73 0.00 0.00 6.56 7.72 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 0.00 130 I 8.27 4.26 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 1.13 0.00 0.00 131 K 8.27 5.11 0.00 1.74 1.63 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.41 7.81 132 W 8.69 4.03 0.00 3.03 2.60 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 0.00 133 N 7.79 4.88 0.00 2.10 2.40 0.00 0.00 7.09 7.46 0.00 0.00 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 Y 9.12 4.55 0.00 3.31 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.49 3.92 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.03 7.81 136 Y 7.83 4.63 0.00 3.15 3.15 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 0.00 137 D 7.84 5.12 0.00 2.84 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 0.00 138 Q 7.96 4.83 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 139 L 9.37 4.94 0.00 1.89 1.71 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 140 S 9.38 5.20 0.00 3.97 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 0.00 141 V 9.19 4.71 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 0.99 0.00 0.00 0.82 0.00 0.00 142 N 9.25 5.44 0.00 2.65 2.69 0.00 0.00 5.98 7.34 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 0.00 143 V 8.46 5.04 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 0.86 0.00 0.00 1.02 0.00 0.00 144 T 8.86 4.32 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.