NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 4.3678 8.1733 122.1406 54.6493 34.4585 177.8809 9 N 4.3052 8.0194 117.1942 54.2440 38.3514 175.6864 10 S 4.2947 8.1435 117.0412 60.9495 63.7392 175.9204 11 V 3.6291 8.1607 123.2029 65.4200 31.1190 178.1194 12 K 3.9903 8.0992 119.0344 59.5259 31.7532 178.9395 13 Q 4.0698 8.0726 118.4555 59.0928 28.5141 177.6141 14 Q 4.0742 8.7640 121.6489 58.6909 28.9943 177.8113 15 I 3.6633 8.0928 120.5010 64.7078 37.2794 178.0679 16 D 4.3401 7.9264 119.0281 57.6191 40.6552 178.6794 17 S 4.0473 8.2248 113.0902 61.4294 62.2273 175.9084 18 A 3.9759 8.2260 123.4272 55.5300 18.0830 179.1581 19 D 4.3061 8.4134 117.1201 57.4808 40.8497 178.7653 20 L 3.9181 8.1544 120.8022 58.2803 42.0158 178.6369 21 L 3.9064 8.2271 120.1967 58.2732 41.8977 178.9091 22 V 3.6232 8.0593 117.9026 66.1874 31.3484 177.6447 23 A 4.0458 8.3329 120.3332 55.4543 18.2469 179.3431 24 N 4.3058 8.4040 114.9093 56.4908 38.5609 177.6908 25 L 3.9718 8.6967 120.9152 57.7618 41.6741 179.7486 26 V 3.3127 8.6486 118.9832 65.8862 31.5026 177.5955 27 N 4.8474 8.6558 117.0697 56.9244 38.7638 176.6821 28 E 4.0029 8.4131 120.0819 59.4201 29.5502 178.8671 29 N 4.1302 8.2164 117.1819 56.6375 38.5260 176.9643 30 F 4.2437 7.8905 119.2816 60.4756 38.9164 177.9143 31 V 3.7203 8.0498 117.8763 65.8233 31.4033 178.0940 32 L 3.9503 8.5786 119.1682 58.0451 41.5491 179.5033 33 S 4.1391 8.1656 112.8325 61.2410 62.1899 176.1877 34 E 4.0131 7.9490 120.4697 59.1065 27.8723 179.1916 35 K 4.0231 8.3229 118.7130 59.3917 32.5251 178.3905 36 L 4.4449 7.8969 121.3537 57.1327 42.5127 177.8978 37 D 4.3494 7.9501 117.8126 57.3411 40.7889 177.9982 38 T 4.0380 8.1134 113.2881 64.3426 67.2320 176.3782 39 K 4.0524 7.4718 119.9784 59.2254 32.1344 178.6974 40 A 4.1426 7.7501 118.9624 54.1992 18.5324 178.7698 41 T 4.2158 7.4631 107.1482 63.9913 69.5647 177.0606 42 E 4.7884 7.7699 121.3456 58.3176 29.3605 179.2265 43 I 3.6915 7.9252 119.2497 63.8424 37.9902 177.8000 44 K 3.9503 7.9791 120.0721 59.5812 32.0913 178.6385 45 Q 3.9825 8.0525 118.2479 58.9565 28.6548 178.7456 46 L 3.9879 7.7093 120.1219 57.7974 41.7670 179.3615 47 Q 3.9766 8.1650 119.5122 59.1268 29.0033 178.4823 48 K 3.9948 8.2984 119.7274 59.3577 32.0027 179.1624 49 Q 3.9085 8.1863 119.7885 59.1708 29.0124 177.9754 50 I 3.6813 7.7443 120.8377 64.8571 37.2880 177.9662 51 D 4.4051 7.9355 118.8244 57.4053 40.6970 178.9664 52 S 4.0789 8.0554 113.4781 61.4550 62.3633 176.2081 53 L 4.0127 8.2805 122.0502 57.8316 41.3107 179.2101 54 N 4.2936 8.6731 116.6450 56.3836 38.3978 177.0109 55 A 3.9206 7.8954 121.5606 54.9949 18.2928 179.0177 56 Q 3.8728 7.7734 116.8615 59.4854 29.3375 179.2470 57 V 3.7257 8.0202 118.9693 66.1450 31.4400 177.9171 58 K 3.8993 7.9877 117.9663 59.6923 30.5542 178.7921 59 E 4.1987 8.6377 117.5274 57.6632 29.2807 177.7495 60 L 4.0347 7.9510 120.0699 55.4642 42.4893 177.7033 61 K 4.1886 7.6311 117.9363 59.6429 32.3079 179.1012 62 T 3.8986 7.7007 115.5596 66.7279 68.5261 176.7461 63 Q 3.9488 7.5292 119.9764 59.1238 28.6272 179.2066 64 T 3.8582 7.4415 110.7283 64.8714 68.6529 176.7042 65 S 4.0507 8.0749 116.3467 61.0715 62.2418 176.1243 66 Q 4.0325 8.9838 122.0225 58.8503 28.4241 178.5011 67 Q 3.9658 7.9347 120.0975 59.1720 29.1229 178.2856 68 A 3.9878 8.2556 122.0369 55.1311 18.3872 179.2389 69 E 4.8752 9.5519 119.2937 59.1355 29.6894 178.7619 70 N 4.3315 10.9700 116.3841 56.2951 38.3457 177.5482 71 S 4.1742 8.1615 116.5659 61.6322 62.8597 176.4331 72 E 4.0268 8.2805 121.3267 59.4456 29.1440 179.6542 73 V 3.6018 7.9260 118.2209 66.1621 31.6486 178.2278 74 I 3.6003 8.1073 119.9810 64.1116 36.8637 178.3932 75 K 4.1274 9.7529 120.4562 59.7313 31.8445 178.7140 76 D 4.3735 9.0550 118.9919 57.2437 40.9080 178.0817 77 L 4.2000 8.4392 121.5840 58.0708 42.1200 178.2301 78 Y 4.5514 7.9466 116.4696 61.6234 37.7370 178.7361 79 E 3.9941 8.5020 119.7727 59.6636 29.4118 178.3432 80 Y 4.1626 8.1217 115.5838 59.6685 38.1004 176.5570 81 L 4.6856 7.9679 119.0361 55.2735 43.4047 176.6978 82 C 4.8971 8.6613 114.3823 58.2262 29.2745 173.7266 83 N 4.2063 7.9317 117.3915 53.6137 36.6033 173.8214 84 V 4.9369 7.6034 115.0632 60.0255 34.4239 174.5496 85 R 4.5732 8.9795 123.2288 54.1673 33.4393 175.0149 86 V 4.2974 8.3978 124.0704 62.4986 31.2566 175.3931 87 H 4.4515 8.3801 125.6662 58.7138 28.9528 175.8644 88 K 4.6696 7.5575 115.6156 56.5628 36.5881 174.1546 89 S 5.0005 8.6138 112.5925 59.3442 65.3168 174.1014 90 Y 4.9828 8.1654 122.2182 55.0683 41.7082 174.5681 91 E 5.4273 8.4879 116.7852 53.9843 29.6287 174.1967 92 D 4.7083 8.7336 125.9000 55.1295 41.1337 178.2636 93 D 4.2180 8.2427 127.7816 55.1947 39.9862 177.4929 94 S 4.2242 9.1041 127.6619 61.4412 61.7378 173.3252 95 G 4.5585 9.1338 115.6511 45.5320 0.0000 171.4694 96 L 5.1257 8.3153 121.7883 53.0494 44.8313 175.3816 97 W 6.1909 8.6111 119.5102 54.2701 34.0064 174.4028 98 F 5.3554 8.8329 119.8617 54.9715 42.4683 174.2803 99 D 5.1903 9.0431 122.8943 54.7378 42.6284 175.1619 100 I 4.8734 8.4581 119.7375 60.0924 42.3581 174.5009 101 S 4.7217 8.8137 120.5312 56.9446 66.2747 172.9951 102 Q 4.9964 8.7927 124.3030 54.7469 32.8063 173.8908 103 G 3.7694 7.5238 108.3249 44.0005 0.0000 172.8009 104 T 4.3937 7.8491 111.6823 62.1423 70.8683 176.9062 *105 H 3.7357 7.7241 124.1324 55.8774 25.3884 171.8757 *115 I 4.0822 7.4037 120.0387 61.7662 38.6046 175.3250 116 M 4.7425 8.9570 124.8038 53.7916 34.8081 174.1103 117 D 5.0228 8.8070 126.9488 54.5385 42.8561 175.4836 118 Y 5.1110 7.8217 119.2820 56.5420 41.6353 173.1484 119 K 5.4834 9.1962 117.1170 55.0748 36.9075 175.6928 120 L 5.0459 9.0537 121.4230 53.1017 45.7902 175.9109 121 G 3.1167 8.1288 110.1767 43.9468 0.0000 172.2674 122 F 4.9757 8.5802 120.3558 55.6815 40.3774 175.4520 123 V 3.9829 8.2309 123.5752 63.8439 34.0501 175.8616 *129 V 4.0017 7.6590 117.5974 63.0997 32.2270 173.8270 130 T 4.5893 7.7588 112.4737 61.0037 71.3733 171.8873 131 E 4.5535 7.6909 119.9250 55.6142 33.8518 173.8708 132 V 4.1959 7.8864 122.3997 60.8934 35.9412 174.3364 133 I 4.5465 7.3659 122.7858 59.7837 41.3350 173.5554 134 Y 5.1191 8.4035 128.2569 55.7511 40.8609 174.2389 135 A 4.8426 8.1701 127.7461 49.5262 22.9893 172.5214 136 P 4.9993 0.0000 0.0000 60.7301 33.4437 174.8996 137 V 4.2270 8.5158 125.3085 61.1051 32.3871 175.3226 138 L 4.8884 8.1654 127.6680 54.9289 43.0611 178.0439 139 K 4.2964 8.1394 122.3970 58.8322 32.4580 176.3923 140 Q 4.5454 7.6847 114.8277 54.3045 30.9898 173.9889 141 R 4.5642 8.2903 120.2983 55.5782 33.1454 173.5720 142 S 4.7043 10.7700 118.1992 57.1442 64.0815 175.4710 143 T 3.9811 8.8062 117.2224 65.2532 68.0306 175.5587 144 E 4.0254 8.3413 119.5403 59.4888 29.1857 179.1398 145 E 3.9391 8.6301 119.5847 59.3153 29.2294 179.0927 146 L 3.4720 8.1405 118.3755 57.7520 41.4178 178.4297 147 Y 4.5235 7.9581 120.0679 58.6686 39.2724 177.1105 148 S 3.9949 7.9974 114.2575 61.5869 62.4161 176.3978 149 L 4.1460 8.8643 122.5787 57.9096 41.5729 179.4300 150 Q 4.1061 7.7364 117.0892 58.1932 28.3044 178.5497 151 S 4.1600 7.3056 114.8235 60.5183 63.4277 176.0130 152 K 4.1374 7.4129 119.4403 56.3443 32.4729 176.8439 153 L 4.6536 7.2732 118.5639 51.6840 44.2160 174.6901 154 P 4.2257 0.0000 0.0000 62.5214 31.6899 177.2498 155 E 4.0085 8.7830 121.0984 59.6433 29.7913 179.1785 156 Y 4.3158 7.8901 116.5886 59.9124 38.3336 178.1452 157 L 4.3001 7.0844 118.7825 57.7692 41.9026 178.5410 158 F 4.3626 8.1814 116.4209 60.4436 39.0332 176.1015 159 E 4.3653 8.0742 118.9846 55.9939 29.9357 176.7834 160 T 4.4201 8.4769 118.4278 64.7249 69.5805 173.1002 161 L 4.9945 9.0231 123.7797 53.9992 47.1489 175.3235 162 S 4.8422 8.5241 114.2438 58.2968 66.6940 174.3925 163 F 5.0519 7.0650 118.7364 54.1548 41.8246 172.4048 164 P 4.6124 0.0000 0.0000 62.2227 32.1792 176.9832 165 L 3.8618 8.6026 121.0843 58.7799 41.6406 179.3067 166 S 3.9812 8.1014 113.2047 61.6697 62.9715 176.0836 167 S 4.4157 8.0875 115.8599 59.1411 62.8638 175.4425 168 L 3.6998 8.3577 124.4915 58.2533 41.7367 177.9294 169 N 4.2536 8.1897 115.8131 57.1442 38.6038 176.6536 170 Q 3.9688 8.0197 117.4537 59.5226 29.1054 177.8645 171 F 3.7947 8.1666 120.8040 61.5823 39.2257 176.2897 172 Y 4.2543 8.7110 118.5095 61.1280 38.7252 178.6665 173 N 3.8466 8.1867 116.9066 56.0866 38.5032 177.3886 174 K 3.7430 7.8615 119.8594 59.7135 31.9241 179.4862 175 I 3.4827 7.2042 117.8360 63.9566 37.4258 177.9503 176 A 3.9774 7.4294 121.5982 55.0431 17.9612 179.8703 177 K 3.8834 7.8552 116.1195 59.5618 32.1516 179.3813 178 S 4.2531 7.5962 114.2858 60.0401 62.9127 174.8327 179 L 4.3798 7.3739 125.6011 54.6900 41.7909 175.9943 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 8 K 8.17 4.37 0.00 1.70 1.88 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 9 N 8.02 4.31 0.00 2.84 2.90 0.00 0.00 6.88 6.73 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 10 S 8.14 4.29 0.00 4.04 4.10 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 11 V 8.16 3.63 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 0.98 0.00 0.00 0.93 0.00 0.00 12 K 8.10 3.99 0.00 2.07 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 13 Q 8.07 4.07 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 14 Q 8.76 4.07 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 15 I 8.09 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.96 0.00 0.00 16 D 7.93 4.34 0.00 2.88 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 17 S 8.22 4.05 0.00 4.06 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 18 A 8.23 3.98 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 19 D 8.41 4.31 0.00 2.82 2.75 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 20 L 8.15 3.92 0.00 1.75 1.86 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.23 3.91 0.00 1.78 1.82 0.92 1.20 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 22 V 8.06 3.62 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 0.97 0.00 0.00 0.99 0.00 0.00 23 A 8.33 4.05 1.43 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 0.00 0.00 24 N 8.40 4.31 0.00 2.90 2.90 0.00 0.00 7.08 6.83 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 25 L 8.70 3.97 0.00 1.91 1.68 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.65 3.31 2.45 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 1.36 0.00 0.00 1.06 0.00 0.00 27 N 8.66 4.85 0.00 3.09 2.98 0.00 0.00 7.24 8.31 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 28 E 8.41 4.00 0.00 2.29 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 2.34 2.34 0.00 29 N 8.22 4.13 0.00 2.64 2.33 0.00 0.00 7.24 7.57 0.00 0.00 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 F 7.89 4.24 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 31 V 8.05 3.72 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 1.14 0.00 0.00 1.13 0.00 0.00 32 L 8.58 3.95 0.00 1.67 1.69 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.17 4.14 0.00 3.89 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 34 E 7.95 4.01 0.00 2.13 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 2.36 2.52 0.00 35 K 8.32 4.02 0.00 1.98 2.09 0.00 1.30 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.45 7.81 36 L 7.90 4.44 0.00 1.75 1.76 0.92 1.14 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 37 D 7.95 4.35 0.00 2.94 2.65 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 38 T 8.11 4.04 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 1.27 0.00 0.00 39 K 7.47 4.05 0.00 1.99 1.83 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.59 7.81 40 A 7.75 4.14 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 41 T 7.46 4.22 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 1.29 0.00 0.00 42 E 7.77 4.79 0.00 2.21 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 2.33 2.18 0.00 43 I 7.93 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.35 0.94 0.00 0.00 44 K 7.98 3.95 0.00 1.90 1.86 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.59 7.81 45 Q 8.05 3.98 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 46 L 7.71 3.99 0.00 1.81 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.16 3.98 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 48 K 8.30 3.99 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.57 7.81 49 Q 8.19 3.91 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 50 I 7.74 3.68 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.52 0.91 0.00 0.00 51 D 7.94 4.41 0.00 2.86 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 52 S 8.06 4.08 0.00 3.91 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 53 L 8.28 4.01 0.00 1.84 1.70 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.67 4.29 0.00 2.90 2.87 0.00 0.00 6.90 7.40 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 55 A 7.90 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.77 3.87 0.00 2.09 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 57 V 8.02 3.73 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 1.08 0.00 0.00 0.93 0.00 0.00 58 K 7.99 3.90 0.00 2.14 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 59 E 8.64 4.20 0.00 2.14 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 2.33 2.31 0.00 60 L 7.95 4.03 0.00 2.05 1.74 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.63 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 70 N 10.97 4.33 0.00 2.92 2.85 0.00 0.00 7.03 7.45 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 71 S 8.16 4.17 0.00 4.12 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 72 E 8.28 4.03 0.00 2.24 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 2.35 2.63 0.00 73 V 7.93 3.60 2.24 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 1.06 0.00 0.00 1.03 0.00 0.00 74 I 8.11 3.60 2.02 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 1.33 0.90 0.79 0.00 0.00 75 K 9.75 4.13 0.00 1.89 2.06 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.53 7.81 76 D 9.06 4.37 0.00 3.01 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 77 L 8.44 4.20 0.00 1.73 1.66 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 7.95 4.55 0.00 3.32 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 79 E 8.50 3.99 0.00 1.97 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 2.04 2.22 0.00 80 Y 8.12 4.16 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 81 L 7.97 4.69 0.00 1.69 1.88 1.00 0.99 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 82 C 8.66 4.90 0.00 3.12 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 83 N 7.93 4.21 0.00 2.89 3.01 0.00 0.00 6.45 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 84 V 7.60 4.94 2.23 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 0.73 0.00 0.00 0.94 0.00 0.00 85 R 8.98 4.57 0.00 1.66 1.75 0.00 3.10 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 86 V 8.40 4.30 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 0.84 0.00 0.00 1.02 0.00 0.00 87 H 8.38 4.45 0.00 3.16 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.56 4.67 0.00 1.76 1.72 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 89 S 8.61 5.00 0.00 3.04 3.14 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 90 Y 8.17 4.98 0.00 3.12 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 91 E 8.49 5.43 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 2.22 2.22 0.00 92 D 8.73 4.71 0.00 2.76 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 93 D 8.24 4.22 0.00 2.88 1.90 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 94 S 9.10 4.22 0.00 3.88 3.87 0.00 0.00 0.00 0.00 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1.61 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 7.74 4.11 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 1.92 2.32 0.00 151 S 7.31 4.16 0.00 3.77 3.55 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 0.00 152 K 7.41 4.14 0.00 1.76 2.04 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.68 7.81 153 L 7.27 4.65 0.00 2.06 1.62 0.47 0.65 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 0.00 154 P 0.00 4.23 0.00 0.58 1.44 0.00 3.28 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 1.72 1.91 0.00 155 E 8.78 4.01 0.00 2.05 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 0.00 2.36 2.29 0.00 156 Y 7.89 4.32 0.00 3.16 3.33 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 0.00 157 L 7.08 4.30 0.00 1.38 1.52 0.49 0.08 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 0.00 158 F 8.18 4.36 0.00 2.88 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 0.00 159 E 8.07 4.37 0.00 2.22 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 2.44 2.43 0.00 160 T 8.48 4.42 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 1.30 0.00 0.00 161 L 9.02 4.99 0.00 1.83 1.71 1.41 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 162 S 8.52 4.84 0.00 3.60 3.55 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 0.00 163 F 7.06 5.05 0.00 2.93 2.96 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 0.00 164 P 0.00 4.61 0.00 2.22 2.19 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 165 L 8.60 3.86 0.00 1.71 1.69 0.90 0.91 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 0.00 166 S 8.10 3.98 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 0.00 167 S 8.09 4.42 0.00 3.83 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 0.00 168 L 8.36 3.70 0.00 1.80 1.66 0.99 0.70 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 0.00 169 N 8.19 4.25 0.00 2.83 2.85 0.00 0.00 6.99 7.08 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 0.00 170 Q 8.02 3.97 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 171 F 8.17 3.79 0.00 2.68 2.94 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 0.00 172 Y 8.71 4.25 0.00 3.17 3.20 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 0.00 173 N 8.19 3.85 0.00 2.83 2.73 0.00 0.00 7.10 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 0.00 174 K 7.86 3.74 0.00 1.59 1.69 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.75 7.81 175 I 7.20 3.48 1.67 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.38 0.73 0.00 0.00 176 A 7.43 3.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 K 7.86 3.88 0.00 1.75 1.81 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 178 S 7.60 4.25 0.00 3.68 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 0.00 179 L 7.37 4.38 0.00 1.65 1.53 0.93 0.56 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 * Residues marked with a * may have inaccurate shift predictions.