NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5748 8.0700 122.8799 51.5111 20.1053 177.1950 2 L 4.0551 8.8771 121.5374 56.6515 41.2939 177.8168 3 W 4.3706 9.0797 117.6842 59.4390 28.6569 177.9971 4 Q 3.3756 6.8620 118.5498 58.4506 28.1697 177.8090 5 F 4.4332 8.4532 121.9847 61.5925 39.4189 177.4128 6 R 3.9557 7.9530 117.6206 59.5291 29.9209 179.2910 7 S 4.3112 7.9282 113.8117 61.5639 62.9206 176.3653 8 M 4.0060 8.4320 121.5444 58.6823 31.9307 178.3778 9 I 3.6969 7.7044 119.9132 64.3764 36.7524 178.6414 10 K 4.1044 8.0703 118.6632 59.1925 31.7643 178.6898 11 C 4.3514 8.2382 119.1656 59.5163 43.3799 175.2993 12 A 4.1641 7.8948 121.1061 53.3121 19.4060 177.5885 13 I 4.4717 7.4910 117.3290 57.8659 37.3578 172.3072 14 P 4.1313 0.0000 0.0000 62.9968 31.8637 174.1247 15 G 3.5795 8.5320 116.4102 45.2233 0.0000 172.4420 *22 F 4.7970 8.0648 122.8512 57.2150 40.2463 174.3777 23 N 5.3077 8.5089 119.2031 51.1527 42.7446 173.9824 24 N 4.7916 8.7182 117.4551 54.3767 40.4160 173.4691 25 Y 4.8479 9.2060 121.6746 57.4707 42.5176 175.7610 26 G 3.8218 7.9291 114.7696 46.7302 0.0000 172.9081 27 C 4.6017 9.8165 115.7911 57.3500 41.2443 174.5032 28 Y 4.2420 8.6846 115.1020 57.5002 39.6593 175.3554 29 C 4.6307 8.6385 118.0706 57.0256 39.1550 173.5504 30 G 3.7709 7.8230 111.9278 45.0218 0.0000 169.3243 31 L 4.2099 8.1214 120.2752 55.3506 42.9371 178.5973 32 G 3.7436 8.6967 111.4717 46.5278 0.0000 172.8301 33 G 4.1265 7.6865 114.3411 45.4550 0.0000 170.9363 34 S 4.4715 6.9889 113.4412 57.6506 66.2727 176.3853 35 G 3.7407 8.5194 108.7854 47.1797 0.0000 173.2743 36 T 4.7838 8.3228 119.3513 60.7064 71.0721 172.4176 37 P 4.7781 0.0000 0.0000 63.2545 31.9612 177.0385 38 V 3.9273 8.7393 115.0055 63.3498 32.5793 175.3303 39 D 4.6477 7.4401 116.7915 51.3591 42.0943 174.7048 40 E 3.9241 9.0041 117.9490 59.8552 29.7343 179.0724 41 L 4.0355 8.0365 119.9278 58.3042 42.2997 178.2345 42 D 4.6238 9.2677 117.9585 56.9442 41.1413 178.1837 43 R 4.0697 7.9138 118.4124 58.9146 30.1931 178.0627 44 C 4.3189 8.3191 116.6731 60.2373 36.0402 175.5175 45 C 4.4878 8.4127 117.9135 59.8815 36.1924 175.6565 46 E 3.6356 8.1250 120.6977 59.6278 29.1169 178.9734 47 T 3.8480 7.9195 115.6712 66.8328 68.4366 176.1071 48 H 4.0245 8.0679 119.9517 59.2105 29.9303 176.8472 49 D 4.2591 8.5581 121.0139 57.7835 40.7643 178.9091 50 N 4.4289 8.6518 116.8734 56.2286 38.4483 176.7589 51 C 4.4409 8.2955 120.3417 59.7690 43.4222 175.2324 52 Y 3.9185 8.2665 118.6538 60.8506 37.2760 178.0530 53 R 3.9447 8.1093 119.7548 59.6979 29.9352 178.3826 54 D 4.3520 8.0521 117.5085 57.0520 41.1310 178.2193 55 A 3.3421 7.8848 121.4792 54.8926 18.1172 179.8669 56 K 4.0827 7.8703 116.0024 59.6051 32.2110 179.0367 57 N 4.6422 7.6338 115.4383 54.0171 38.7389 175.1364 58 L 3.8776 7.1604 121.2901 54.6645 41.6501 177.7787 59 D 4.3590 8.6739 124.6281 55.7171 39.3833 177.4128 60 S 4.3964 7.8332 112.2016 58.5851 63.8537 174.3567 61 C 4.5777 7.6408 119.0008 54.8875 42.2301 173.6747 62 K 4.1118 7.6013 124.2260 55.0249 33.7095 175.5379 63 F 4.6546 8.2071 125.2514 55.6737 40.6562 175.2685 64 L 4.2530 8.5146 124.3858 56.6301 42.2299 177.1748 65 V 3.1169 8.8852 123.8512 63.7855 30.0429 171.5267 66 D 4.5257 8.0170 113.8533 54.9025 39.1423 173.7507 67 N 4.9264 8.1511 116.4098 51.0461 41.2911 172.9524 68 P 2.9700 0.0000 0.0000 65.1342 31.5358 178.1886 69 Y 4.4904 7.8546 115.4754 60.4573 37.9540 177.8916 70 T 4.0511 7.7157 109.3677 63.1878 69.3915 174.5945 71 E 4.1558 8.0971 124.5688 55.9574 29.6255 175.4290 72 S 4.7004 8.5803 123.1423 57.3914 64.2424 172.9439 73 Y 4.9457 7.7286 121.9828 55.1878 41.0158 173.8911 74 S 5.1118 8.6808 112.8368 56.8479 64.5044 172.6247 75 Y 5.5311 8.5871 123.9600 55.6717 41.1733 174.0474 76 S 4.6121 9.2501 114.9241 56.6486 67.0313 171.9496 77 C 5.4547 8.5627 120.3379 56.2859 45.9808 171.9246 78 S 4.3310 9.1995 120.9264 59.0799 61.7990 177.0370 79 N 4.5990 9.1775 116.8207 52.5969 37.3686 174.7430 80 T 4.1642 7.8940 105.2806 60.9599 68.7124 172.1654 81 E 4.3958 7.9931 123.3636 55.4047 30.5586 174.5554 82 I 5.0671 8.1857 126.6480 60.2393 39.4109 175.3200 83 T 4.6188 8.8344 122.0516 62.0816 72.3261 172.4986 84 C 4.8075 8.8675 124.6099 56.1960 40.7063 173.2296 85 N 4.6994 9.2237 123.7426 53.5806 39.1345 176.0768 86 S 4.3115 8.8961 120.3797 60.4513 63.4227 175.0035 87 K 4.2597 8.6822 119.9258 57.1876 32.2149 177.0844 88 N 4.5351 7.8111 117.7666 52.9520 39.1669 175.3073 89 N 4.6527 9.0698 120.0123 52.2130 39.6613 176.0485 90 A 4.0243 8.6371 122.7615 55.9820 18.3385 180.7912 91 C 4.3679 8.2466 114.0882 60.3343 38.3478 176.0945 92 E 4.0599 9.3523 120.3484 59.2602 28.9485 179.2849 93 A 3.9884 8.7667 121.4141 54.9597 18.5586 179.4780 94 F 3.8262 8.3980 119.2235 61.4571 39.4904 177.5354 95 I 3.6555 7.8823 119.3554 64.3801 36.8988 177.4926 96 C 3.0961 8.2876 119.7276 59.5411 44.1145 175.5285 97 N 4.2056 8.1255 117.9618 56.1338 37.9982 176.9112 98 C 4.1519 7.7262 117.8202 60.0260 41.2358 175.8276 99 D 4.1294 8.0800 120.5030 57.2198 40.4177 178.5757 100 R 3.7776 8.2643 119.5190 59.7134 30.0422 178.1742 101 N 4.1969 8.2939 115.9705 56.3262 38.5065 177.3746 102 A 3.4446 7.7332 121.4072 54.7527 18.4540 179.5026 103 A 3.8564 7.9621 119.4101 55.3361 18.4232 180.0069 104 I 3.8490 7.6315 119.6590 63.9178 36.9484 177.8042 105 C 4.2197 7.9669 118.9147 59.4978 44.2316 175.4102 106 F 4.6118 8.2883 119.9178 60.7103 38.4421 177.4868 107 S 4.2183 8.1812 114.1465 61.2376 62.2304 175.7298 108 K 4.4928 7.6281 119.0036 55.5260 33.1421 175.8871 109 A 4.8510 7.4114 121.9385 50.1316 21.5437 175.2364 110 P 4.4835 0.0000 0.0000 62.1475 32.2955 175.7348 111 Y 4.2739 8.4890 123.2216 56.1583 39.0267 175.2912 112 N 4.7275 8.7557 127.1843 51.4530 38.2997 176.0401 113 K 4.0099 8.8043 124.7150 59.6034 32.2866 178.7158 114 E 4.0895 8.0106 113.2940 57.8195 29.5920 176.6425 115 H 4.4876 8.0366 116.8341 55.3247 30.0382 174.1783 116 K 4.2815 7.6260 122.1565 57.3124 32.5905 176.2707 117 N 4.1818 8.9189 124.4864 54.1075 36.4695 174.4632 118 L 4.1285 7.6549 117.8363 55.2756 43.5096 177.0206 119 D 4.6482 8.5059 123.6556 52.7470 38.5296 176.7029 120 T 4.0808 7.9522 114.4636 64.2250 68.6357 175.8878 121 K 3.9289 8.0597 120.9973 58.1212 32.3238 177.6375 122 K 4.1335 7.9582 117.3966 57.6786 33.2605 176.7668 123 Y 4.7535 7.0746 112.4428 57.8257 38.3036 176.3640 124 C 4.6288 7.6302 123.1728 57.1169 41.8898 173.7528 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 1 A 8.07 4.57 1.31 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 0.00 0.00 0.00 2 L 8.88 4.06 0.00 1.59 1.77 0.64 0.68 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 3 W 9.08 4.37 0.00 3.69 3.34 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 4 Q 6.86 3.38 0.00 1.60 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 5 F 8.45 4.43 0.00 3.38 3.41 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 6 R 7.95 3.96 0.00 2.23 2.16 0.00 3.38 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 7 S 7.93 4.31 0.00 4.24 4.14 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 8 M 8.43 4.01 0.00 2.07 1.62 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 9 I 7.70 3.70 1.96 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.17 0.88 0.00 0.00 10 K 8.07 4.10 0.00 2.03 1.90 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.69 7.81 11 C 8.24 4.35 0.00 3.14 3.37 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 12 A 7.89 4.16 1.32 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 0.00 0.00 13 I 7.49 4.47 1.90 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 1.33 0.76 0.91 0.00 0.00 14 P 0.00 4.13 0.00 2.04 2.04 0.00 3.86 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.21 0.00 15 G 8.53 3.58 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 0.00 0.00 0.00 *22 F 8.06 4.80 0.00 3.10 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 23 N 8.51 5.31 0.00 2.66 2.76 0.00 0.00 6.99 8.00 0.00 0.00 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 8.72 4.79 0.00 2.69 2.78 0.00 0.00 6.23 7.48 0.00 0.00 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 Y 9.21 4.85 0.00 2.98 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 26 G 7.93 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 0.00 0.00 0.00 27 C 9.82 4.60 0.00 3.14 3.07 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 0.00 0.00 0.00 0.00 28 Y 8.68 4.24 0.00 3.28 3.08 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 29 C 8.64 4.63 0.00 3.40 3.07 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 0.00 0.00 0.00 0.00 30 G 7.82 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 31 L 8.12 4.21 0.00 1.68 1.66 0.95 0.93 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 32 G 8.70 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 33 G 7.69 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 0.00 0.00 0.00 34 S 6.99 4.47 0.00 3.89 3.71 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 35 G 8.52 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 T 8.32 4.78 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 1.25 0.00 0.00 37 P 0.00 4.78 0.00 2.06 2.11 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.88 0.00 38 V 8.74 3.93 1.81 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 0.68 0.00 0.00 0.69 0.00 0.00 39 D 7.44 4.65 0.00 2.90 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 40 E 9.00 3.92 0.00 2.09 2.02 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 2.41 2.39 0.00 41 L 8.04 4.04 0.00 1.87 1.74 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 42 D 9.27 4.62 0.00 3.09 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 43 R 7.91 4.07 0.00 2.18 1.94 0.00 3.19 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 44 C 8.32 4.32 0.00 3.56 3.18 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 45 C 8.41 4.49 0.00 3.34 3.43 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 46 E 8.13 3.64 0.00 1.57 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 1.81 1.47 0.00 47 T 7.92 3.85 4.34 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 1.15 0.00 0.00 48 H 8.07 4.02 0.00 3.25 3.43 0.00 5.60 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 49 D 8.56 4.26 0.00 2.92 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 50 N 8.65 4.43 0.00 2.78 2.86 0.00 0.00 6.74 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 51 C 8.30 4.44 0.00 3.14 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 52 Y 8.27 3.92 0.00 2.98 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 53 R 8.11 3.94 0.00 2.13 2.11 0.00 3.12 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 54 D 8.05 4.35 0.00 3.12 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 55 A 7.88 3.34 1.24 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 0.00 0.00 0.00 56 K 7.87 4.08 0.00 1.92 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.66 7.81 57 N 7.63 4.64 0.00 2.74 2.84 0.00 0.00 7.06 7.76 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 58 L 7.16 3.88 0.00 1.60 1.45 0.38 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.67 4.36 0.00 2.73 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 S 7.83 4.40 0.00 3.92 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 61 C 7.64 4.58 0.00 2.64 2.20 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 62 K 7.60 4.11 0.00 1.47 1.49 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.44 7.81 63 F 8.21 4.65 0.00 3.19 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 64 L 8.51 4.25 0.00 1.80 1.64 0.96 0.85 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 65 V 8.89 3.12 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 0.87 0.00 0.00 0.98 0.00 0.00 66 D 8.02 4.53 0.00 2.86 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 67 N 8.15 4.93 0.00 2.91 2.72 0.00 0.00 7.28 7.79 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 68 P 0.00 2.97 0.00 0.49 0.65 0.00 3.46 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 1.56 1.48 0.00 69 Y 7.85 4.49 0.00 3.28 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 70 T 7.72 4.05 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 1.38 0.00 0.00 71 E 8.10 4.16 0.00 2.20 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 2.60 2.48 0.00 72 S 8.58 4.70 0.00 3.96 3.79 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 73 Y 7.73 4.95 0.00 3.22 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 74 S 8.68 5.11 0.00 4.05 3.84 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 75 Y 8.59 5.53 0.00 3.11 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 76 S 9.25 4.61 0.00 3.81 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 77 C 8.56 5.45 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 78 S 9.20 4.33 0.00 4.03 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.18 4.60 0.00 2.85 2.81 0.00 0.00 6.59 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 80 T 7.89 4.16 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 1.23 0.00 0.00 81 E 7.99 4.40 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 2.27 2.33 0.00 82 I 8.19 5.07 1.88 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 1.43 0.77 0.95 0.00 0.00 83 T 8.83 4.62 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 1.23 0.00 0.00 84 C 8.87 4.81 0.00 2.80 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 85 N 9.22 4.70 0.00 2.91 2.77 0.00 0.00 6.65 7.99 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 86 S 8.90 4.31 0.00 4.02 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 87 K 8.68 4.26 0.00 1.94 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.42 7.81 88 N 7.81 4.54 0.00 2.88 2.83 0.00 0.00 6.97 7.81 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 89 N 9.07 4.65 0.00 3.03 2.98 0.00 0.00 6.75 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 90 A 8.64 4.02 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 91 C 8.25 4.37 0.00 3.17 3.18 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 92 E 9.35 4.06 0.00 2.32 2.18 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 2.68 2.69 0.00 93 A 8.77 3.99 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 94 F 8.40 3.83 0.00 3.28 3.18 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 95 I 7.88 3.66 1.92 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.32 0.74 0.00 0.00 96 C 8.29 3.10 0.00 2.22 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 97 N 8.13 4.21 0.00 2.57 2.61 0.00 0.00 7.07 7.81 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 98 C 7.73 4.15 0.00 3.23 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 99 D 8.08 4.13 0.00 2.76 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 0.00 100 R 8.26 3.78 0.00 1.77 1.95 0.00 3.04 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 101 N 8.29 4.20 0.00 2.63 2.74 0.00 0.00 7.04 7.99 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 0.00 102 A 7.73 3.44 1.04 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 0.00 0.00 103 A 7.96 3.86 1.33 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 0.00 0.00 104 I 7.63 3.85 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 2.01 0.87 0.00 0.00 105 C 7.97 4.22 0.00 2.94 2.93 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 0.00 106 F 8.29 4.61 0.00 3.14 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 0.00 107 S 8.18 4.22 0.00 4.08 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 0.00 108 K 7.63 4.49 0.00 1.94 1.93 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.67 1.44 7.81 109 A 7.41 4.85 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 0.00 110 P 0.00 4.48 0.00 2.11 2.03 0.00 3.70 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 2.05 2.10 0.00 111 Y 8.49 4.27 0.00 2.87 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 0.00 112 N 8.76 4.73 0.00 2.97 3.09 0.00 0.00 6.63 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 0.00 113 K 8.80 4.01 0.00 1.85 1.98 0.00 1.74 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.87 1.68 7.81 114 E 8.01 4.09 0.00 1.92 1.95 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 1.76 2.03 0.00 115 H 8.04 4.49 0.00 2.09 2.31 0.00 5.62 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 0.00 116 K 7.63 4.28 0.00 1.90 1.89 0.00 2.24 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.72 7.81 117 N 8.92 4.18 0.00 2.89 2.88 0.00 0.00 7.00 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 0.00 118 L 7.65 4.13 0.00 1.69 1.66 0.96 1.25 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 0.00 119 D 8.51 4.65 0.00 2.83 2.46 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 0.00 0.00 0.00 0.00 120 T 7.95 4.08 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 1.28 0.00 0.00 121 K 8.06 3.93 0.00 1.69 1.95 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.50 7.81 122 K 7.96 4.13 0.00 0.89 0.83 0.00 1.61 0.00 0.00 1.41 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.14 1.25 7.81 123 Y 7.07 4.75 0.00 2.98 2.92 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 0.00 0.00 0.00 124 C 7.63 4.63 0.00 3.24 3.06 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 * Residues marked with a * may have inaccurate shift predictions.