NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.8314 8.4449 116.3388 55.3332 29.8727 171.4089 5 I 4.4264 8.1813 118.8821 59.4736 40.0623 171.4290 6 E 4.5626 9.6326 125.6292 54.5009 32.3865 175.0884 7 R 4.6209 8.2634 122.2730 54.3419 32.0341 175.4485 8 F 4.6441 8.9073 121.0464 55.6871 40.9963 174.6163 9 E 4.7464 8.5535 123.9141 54.4077 33.1992 175.2624 10 V 4.1304 8.2809 120.3732 61.4551 32.1418 175.2400 11 V 4.3300 8.3453 127.1313 60.8263 33.2288 174.5061 12 K 4.4123 8.6843 126.4120 54.5967 33.8155 175.5064 13 R 4.3693 8.5834 124.9850 54.6198 30.3256 174.7130 14 R 4.3757 8.2918 125.6004 54.3038 31.5129 175.9257 15 A 4.2165 8.3915 128.1653 51.7459 17.4760 176.6593 16 E 3.9211 8.5565 122.9546 58.8132 30.4808 176.3096 *18 A 4.3349 7.7408 121.2243 52.0406 19.6898 174.9315 19 L 5.0816 8.5130 122.4870 53.1915 43.8145 175.8014 20 H 4.8443 9.0634 122.9478 54.6844 32.2268 175.3015 21 G 3.8274 8.4712 119.1103 47.0816 0.0000 172.2753 22 N 4.8812 8.9843 120.1720 52.8352 38.9438 173.2960 23 T 4.9224 7.9203 115.6136 61.6778 71.7715 173.2354 24 V 4.5593 8.7673 125.6805 61.3124 33.9797 173.6482 25 Y 4.9429 9.0689 126.2083 56.3257 39.6276 175.1224 26 I 4.6487 8.6002 125.4754 59.1148 39.7552 175.9571 27 G 4.0305 8.9453 114.6329 45.6350 0.0000 173.5246 28 G 3.9968 8.5422 108.4624 45.2497 0.0000 172.9234 29 Q 4.5132 8.4837 122.5723 54.0375 31.0141 175.1867 30 V 4.3963 7.5899 113.8292 58.6787 35.6007 175.0364 31 A 4.0943 8.0562 124.2331 52.1067 18.7849 177.6008 32 D 4.4343 8.9539 123.0663 56.6686 41.0211 176.1241 33 D 4.8359 8.2541 119.4414 51.8414 41.1802 172.7259 34 P 4.8645 0.0000 0.0000 62.8797 32.0072 177.9857 35 S 4.2840 8.1019 115.7243 60.9685 63.5559 174.1390 36 G 3.9690 7.6741 109.6346 44.1187 0.0000 172.7070 37 D 4.7081 8.2317 119.6756 52.3741 41.9234 176.6104 38 I 3.6660 8.2280 118.1622 64.3634 37.7486 177.4565 39 Q 3.9752 8.1083 118.3810 59.0577 28.5645 178.2866 40 D 4.2950 8.5737 118.9890 57.4512 41.3167 178.2889 41 Q 3.9770 8.2729 118.6635 59.1545 28.6008 178.8631 42 T 3.7816 8.1684 117.0394 66.6706 68.4290 176.8085 43 R 3.5089 7.9926 119.9428 59.2701 30.0846 179.0715 44 Q 3.9645 8.1378 117.7342 59.0877 28.6352 179.1736 45 I 3.6469 7.6640 120.6226 64.3902 37.1354 178.5839 46 L 3.7680 7.8517 120.0895 57.5965 41.1732 179.4603 47 E 4.1715 8.3907 119.0463 59.5164 29.3258 179.1117 48 N 4.3874 8.3392 116.6041 56.3002 38.5037 177.4985 49 I 3.7332 8.0818 121.5416 64.3281 37.0924 177.9608 50 D 4.4458 8.3376 119.7792 57.6583 40.7380 179.2968 51 R 3.9227 8.0103 118.1731 59.2351 29.8341 179.1195 52 L 3.9895 8.2589 119.0880 57.8704 41.5706 179.6722 53 L 4.0898 8.3314 119.2721 57.7434 41.5531 179.1011 54 Q 4.1074 8.3399 119.9971 59.4391 28.7482 178.8232 55 S 4.3362 7.9943 113.3053 60.3162 62.9991 175.1900 56 V 4.2515 6.8920 114.3094 60.8130 31.9343 175.7153 57 G 3.7722 8.1546 107.4195 46.6081 0.0000 173.4617 58 S 4.8088 7.8718 115.3202 56.5868 65.1627 171.4463 59 D 4.5593 7.9510 118.6082 52.4271 41.3203 175.9489 60 R 3.9928 8.7227 119.1215 59.0825 29.8806 177.0321 61 G 3.9717 8.4170 104.6933 46.1517 0.0000 173.9716 62 Q 4.5860 8.2717 119.1141 55.4120 29.3633 175.1102 63 V 4.1969 7.7106 117.7344 62.6183 32.7417 175.1738 64 L 4.6072 8.9488 127.2367 56.2169 43.3795 176.6648 65 S 5.2141 7.6843 111.7851 55.9082 66.9607 172.8315 66 V 4.8393 8.8241 121.7714 61.3105 34.5375 173.8800 67 R 4.7572 8.9682 129.4887 55.3042 31.1975 175.2885 68 I 4.5244 8.7561 127.9277 59.5401 39.8728 174.5018 69 L 4.7694 8.9733 128.2791 53.0465 43.6950 175.1228 70 L 4.8147 8.6827 127.0416 53.3471 43.4629 177.1477 71 A 4.4357 8.7922 128.5644 54.0200 19.2962 177.7660 72 H 4.8661 7.9037 111.6472 53.0951 32.7324 174.1335 73 R 3.8858 8.9125 123.9109 59.8135 29.6427 178.3687 74 E 4.1738 8.1902 116.2378 58.5913 29.7399 177.7486 75 D 4.7095 8.1801 118.1234 54.6385 41.1863 177.5194 76 Y 4.1240 8.0741 121.7284 60.7979 38.7809 177.7391 77 A 3.9938 8.2086 121.2838 55.1762 17.9736 179.7153 78 G 3.5018 8.0048 103.7312 47.5512 0.0000 175.2959 79 L 3.9591 8.0558 122.9541 58.4195 42.0940 179.1177 80 N 4.3972 7.9922 115.9852 55.8431 38.1449 177.0668 81 Q 3.9718 8.0992 121.0354 59.3298 29.4843 178.7869 82 V 3.8092 7.5095 117.9709 65.7742 31.6999 177.5905 83 W 4.1536 8.3229 128.1498 60.8099 30.3509 177.3875 84 D 4.8001 8.8668 117.1070 55.9029 40.3277 176.8639 85 Q 4.5469 7.7428 115.8692 55.5408 29.2437 176.1746 86 W 3.9347 7.9798 129.6919 59.4575 31.0895 176.6116 87 F 4.4805 7.5984 115.1395 55.2829 39.9274 173.8520 88 P 4.2984 0.0000 0.0000 62.1560 31.8133 175.6128 89 E 4.0561 8.6318 121.6879 58.1956 29.6530 177.4511 90 G 3.9693 9.0567 113.2854 45.9841 0.0000 173.5643 91 R 4.5116 7.9079 115.9766 55.3293 31.1493 175.7621 92 A 3.4043 7.8567 121.1963 51.4384 18.7814 176.2556 93 P 4.7323 0.0000 0.0000 61.9338 32.9365 175.9117 94 T 4.2007 8.3823 110.2220 62.0855 69.8745 173.4610 95 R 4.9548 8.3161 121.8231 55.0015 33.7811 174.1380 96 A 4.5383 8.8315 126.5285 50.6477 22.2807 174.2589 97 C 5.3312 8.7429 123.0578 57.9773 33.9202 172.9679 98 S 4.7124 8.6470 119.3277 56.7468 66.9406 172.6889 99 L 4.8950 8.3649 119.5761 54.5354 42.3628 176.4996 100 A 4.6723 8.8185 123.0416 50.5863 23.2758 175.0038 101 E 4.2653 8.7309 121.3742 55.3628 30.2517 176.3360 102 L 4.7571 8.1760 125.9760 53.1978 43.8396 176.9528 103 I 3.6886 8.7006 121.0328 64.2084 37.3796 176.2911 104 D 4.1735 6.3025 120.7399 51.5600 41.3139 174.9830 105 P 4.2636 0.0000 0.0000 65.4356 31.5233 177.9526 106 R 4.0819 8.1681 116.8872 58.2547 30.2161 177.3262 107 W 4.7330 7.7859 118.5553 56.9850 29.5371 176.2547 108 R 4.6223 9.5420 122.2988 57.3964 31.0496 176.4703 109 V 4.8070 7.4282 115.6043 61.0082 33.9902 172.3110 110 E 5.0825 8.5775 122.1861 53.7999 33.8763 173.2628 *112 I 4.0899 8.1437 118.6936 61.3433 38.8356 175.0558 113 V 4.9048 8.0263 127.0983 60.9668 34.5489 174.2310 114 V 4.7239 8.6952 126.6461 61.1036 34.3944 174.1486 115 A 5.2290 8.8670 127.8979 50.5354 23.2808 174.2417 116 A 5.1405 8.8864 121.1908 50.3745 21.7964 177.2402 117 R 4.5987 8.7638 115.6941 54.5389 31.7246 175.3694 118 E 4.2502 8.8913 121.2177 56.2040 29.8036 175.8652 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 H 8.44 4.83 0.00 3.25 3.42 0.00 5.45 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.18 4.43 1.87 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 1.44 0.82 0.93 0.00 0.00 6 E 9.63 4.56 0.00 2.11 1.83 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 2.14 2.30 0.00 7 R 8.26 4.62 0.00 1.68 1.81 0.00 3.32 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 8 F 8.91 4.64 0.00 2.98 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 9 E 8.55 4.75 0.00 1.91 1.82 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 2.20 2.23 0.00 10 V 8.28 4.13 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 0.80 0.00 0.00 0.96 0.00 0.00 11 V 8.35 4.33 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 0.91 0.00 0.00 0.93 0.00 0.00 12 K 8.68 4.41 0.00 1.78 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.41 7.81 13 R 8.58 4.37 0.00 1.76 1.85 0.00 3.22 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 14 R 8.29 4.38 0.00 1.82 1.81 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 15 A 8.39 4.22 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 16 E 8.56 3.92 0.00 2.07 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 2.38 2.37 0.00 *18 A 7.74 4.33 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 19 L 8.51 5.08 0.00 1.68 1.64 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.06 4.84 0.00 3.17 3.36 0.00 5.75 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 21 G 8.47 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 22 N 8.98 4.88 0.00 2.77 2.91 0.00 0.00 6.63 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 23 T 7.92 4.92 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 0.83 0.00 0.00 24 V 8.77 4.56 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 1.06 0.00 0.00 0.91 0.00 0.00 25 Y 9.07 4.94 0.00 2.87 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 26 I 8.60 4.65 1.90 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 0.97 0.92 0.00 0.00 27 G 8.95 4.03 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 0.00 0.00 0.00 28 G 8.54 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.48 4.51 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.25 0.00 30 V 7.59 4.40 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 0.00 0.00 -0.65 0.00 0.00 0.22 0.00 0.00 31 A 8.06 4.09 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 32 D 8.95 4.43 0.00 2.80 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 33 D 8.25 4.84 0.00 2.61 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 34 P 0.00 4.86 0.00 2.60 2.45 0.00 3.90 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 35 S 8.10 4.28 0.00 4.00 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 0.00 36 G 7.67 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 0.00 0.00 0.00 37 D 8.23 4.71 0.00 2.98 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 38 I 8.23 3.67 2.06 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 1.86 1.47 1.04 0.00 0.00 39 Q 8.11 3.98 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 40 D 8.57 4.30 0.00 2.80 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 41 Q 8.27 3.98 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 42 T 8.17 3.78 4.33 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 1.15 0.00 0.00 43 R 7.99 3.51 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 44 Q 8.14 3.96 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 45 I 7.66 3.65 1.88 0.00 0.00 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 1.33 0.70 0.85 0.00 0.00 46 L 7.85 3.77 0.00 0.35 0.38 -0.19 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.39 4.17 0.00 2.22 2.06 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 2.55 2.65 0.00 48 N 8.34 4.39 0.00 2.85 2.85 0.00 0.00 7.03 6.87 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 49 I 8.08 3.73 2.04 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 1.55 0.75 0.99 0.00 0.00 50 D 8.34 4.45 0.00 3.02 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 51 R 8.01 3.92 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 52 L 8.26 3.99 0.00 1.82 1.73 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.33 4.09 0.00 1.69 1.71 1.01 0.71 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 54 Q 8.34 4.11 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 55 S 7.99 4.34 0.00 4.09 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 0.00 56 V 6.89 4.25 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 0.72 0.00 0.00 1.02 0.00 0.00 57 G 8.15 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 0.00 0.00 0.00 58 S 7.87 4.81 0.00 3.78 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 59 D 7.95 4.56 0.00 2.89 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 60 R 8.72 3.99 0.00 1.90 1.99 0.00 2.89 0.00 0.00 2.65 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 61 G 8.42 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 0.00 0.00 0.00 62 Q 8.27 4.59 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 63 V 7.71 4.20 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 0.89 0.00 0.00 1.13 0.00 0.00 64 L 8.95 4.61 0.00 1.70 1.64 0.85 0.87 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 65 S 7.68 5.21 0.00 3.84 3.89 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 66 V 8.82 4.84 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 1.05 0.00 0.00 1.19 0.00 0.00 67 R 8.97 4.76 0.00 1.82 1.81 0.00 3.49 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 68 I 8.76 4.52 1.68 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.41 0.79 0.00 0.00 69 L 8.97 4.77 0.00 1.54 1.59 0.93 0.16 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 70 L 8.68 4.81 0.00 1.77 1.62 1.01 1.31 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 71 A 8.79 4.44 1.17 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 0.00 0.00 72 H 7.90 4.87 0.00 3.18 3.36 0.00 5.64 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.91 3.89 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 74 E 8.19 4.17 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 2.33 2.48 0.00 75 D 8.18 4.71 0.00 2.94 2.74 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 76 Y 8.07 4.12 0.00 3.11 2.98 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 77 A 8.21 3.99 1.35 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 0.00 0.00 78 G 8.00 3.50 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 0.00 79 L 8.06 3.96 0.00 1.72 1.78 0.85 0.62 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 80 N 7.99 4.40 0.00 2.70 2.92 0.00 0.00 6.72 7.32 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 81 Q 8.10 3.97 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 82 V 7.51 3.81 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 0.85 0.00 0.00 0.95 0.00 0.00 83 W 8.32 4.15 0.00 3.54 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 84 D 8.87 4.80 0.00 2.84 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 85 Q 7.74 4.55 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.62 2.35 0.00 86 W 7.98 3.93 0.00 3.24 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 87 F 7.60 4.48 0.00 3.00 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 88 P 0.00 4.30 0.00 2.18 1.94 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 89 E 8.63 4.06 0.00 1.91 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 2.30 2.33 0.00 90 G 9.06 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 0.00 0.00 0.00 91 R 7.91 4.51 0.00 1.92 2.05 0.00 3.18 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 92 A 7.86 3.40 1.13 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 0.00 0.00 93 P 0.00 4.73 0.00 2.05 1.93 0.00 2.47 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.50 0.00 94 T 8.38 4.20 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 1.20 0.00 0.00 95 R 8.32 4.95 0.00 1.86 1.79 0.00 2.21 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.28 0.00 96 A 8.83 4.54 1.19 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 0.00 0.00 97 C 8.74 5.33 0.00 2.82 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 98 S 8.65 4.71 0.00 3.86 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 99 L 8.36 4.90 0.00 1.52 1.60 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.82 4.67 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 0.00 101 E 8.73 4.27 0.00 1.94 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 2.26 2.31 0.00 102 L 8.18 4.76 0.00 1.89 2.02 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.70 3.69 1.98 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 1.46 0.86 0.84 0.00 0.00 104 D 6.30 4.17 0.00 1.58 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 0.00 0.00 0.00 105 P 0.00 4.26 0.00 1.99 2.07 0.00 3.50 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 1.93 2.03 0.00 106 R 8.17 4.08 0.00 1.77 2.18 0.00 3.12 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 107 W 7.79 4.73 0.00 3.49 2.98 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 0.00 108 R 9.54 4.62 0.00 1.89 2.03 0.00 3.25 0.00 0.00 3.43 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 109 V 7.43 4.81 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 0.54 0.00 0.00 0.95 0.00 0.00 110 E 8.58 5.08 0.00 1.88 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 2.10 2.09 0.00 *112 I 8.14 4.09 1.88 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 1.22 0.56 0.94 0.00 0.00 113 V 8.03 4.90 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 1.05 0.00 0.00 1.00 0.00 0.00 114 V 8.70 4.72 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 0.58 0.00 0.00 0.93 0.00 0.00 115 A 8.87 5.23 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 0.00 116 A 8.89 5.14 1.17 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 0.00 0.00 117 R 8.76 4.60 0.00 1.76 1.90 0.00 3.03 0.00 0.00 3.42 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 118 E 8.89 4.25 0.00 2.06 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 0.00 2.31 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.