NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.3695 8.5598 114.8078 58.7789 64.3544 172.0675 -1 N 4.4699 7.8914 116.3575 51.9582 39.3863 174.1097 0 A 4.1755 9.0455 121.7511 52.1154 18.2770 178.6955 0 S 4.3255 9.1155 113.6511 57.9154 62.9770 175.4955 3 V 4.6597 7.9623 121.2971 61.2175 34.1285 174.3569 4 V 4.7874 8.6334 126.5909 61.0055 34.8361 173.8090 5 I 5.0025 8.7922 127.5814 59.4124 40.9296 173.6696 6 Y 4.8041 9.4361 128.3102 57.6791 38.7030 173.9521 7 H 5.1777 9.7128 125.1068 54.2188 33.7136 172.1394 8 N 4.9250 8.9977 123.6227 51.0140 39.6322 173.2160 9 P 4.1983 0.0000 0.0000 65.1215 31.5234 177.7063 10 K 4.2267 8.2891 115.5824 56.7848 32.5184 176.3922 11 C 4.6763 7.9404 121.0994 57.5556 33.4063 174.2372 12 S 4.1717 8.6251 123.4432 61.5201 62.6992 176.6726 13 K 3.9738 8.0275 121.6415 59.1449 31.8137 179.0752 14 S 4.1485 8.0401 112.8485 61.5367 62.4533 176.0831 15 R 3.9995 8.3829 121.1740 59.4439 29.7634 178.7152 16 E 3.9490 8.4177 118.9758 59.4833 29.1195 178.9678 17 T 3.8537 8.1412 115.9245 66.4607 68.4785 176.2855 18 L 3.9325 8.1194 122.0352 58.2295 42.1330 178.9074 19 A 4.1037 8.1738 120.7159 54.9686 18.1289 179.3051 20 L 3.8914 8.1795 119.0271 58.2646 42.1999 179.2080 21 L 4.0175 8.0101 118.8075 57.9917 41.5211 179.4262 22 E 4.8080 8.2501 119.8481 59.0967 29.2198 178.9812 23 N 4.4641 8.5182 115.0408 55.2044 38.6991 176.3714 24 Q 4.3788 7.5480 118.3781 55.6452 29.0812 176.3377 25 G 3.8839 8.1845 108.6566 45.6565 0.0000 173.1068 26 I 4.2759 7.7872 120.2867 59.1698 38.6907 174.9931 27 A 4.8557 8.2556 128.6493 49.6353 18.5206 174.2048 28 P 4.6860 0.0000 0.0000 62.6754 33.2050 176.0263 29 Q 4.0732 8.8221 122.9365 56.1544 30.0330 174.7337 30 V 4.5543 8.3363 126.7909 61.6928 32.9956 174.7320 31 I 4.2108 8.6373 129.5586 59.5706 39.2456 175.6570 32 K 4.7208 8.8305 128.0700 54.3016 30.6975 177.0183 33 Y 4.5254 8.3424 123.8894 59.3233 37.8042 178.5010 34 L 3.8136 6.8975 119.4904 56.8985 41.7470 178.0949 35 E 4.3416 7.7420 117.1466 58.3010 30.4856 177.9010 36 T 4.2639 8.4429 109.9434 61.4793 69.4705 172.8876 37 S 3.8907 8.2046 113.5996 57.6173 60.5126 169.2459 38 P 4.4342 0.0000 0.0000 62.1895 31.9608 177.4632 39 S 4.3728 8.8496 117.3048 58.0351 64.8914 175.6608 40 V 3.5611 8.3575 121.8808 66.4677 31.0789 178.0373 41 E 3.8557 8.0845 117.4897 59.4649 29.2807 178.9817 42 E 3.9520 8.0533 118.2151 59.4760 29.5250 179.5397 43 L 3.9889 8.1260 119.0553 57.7186 41.8494 179.6738 44 K 3.4068 8.0625 118.8931 59.1012 31.7535 179.4425 45 R 3.8646 8.1506 119.1882 59.4298 29.9840 178.4233 46 L 4.0511 8.1130 119.0138 57.9968 41.2730 178.9713 47 Y 4.2374 8.1738 119.3671 60.8603 38.8861 178.1624 48 Q 3.7942 7.9884 118.4911 59.1385 28.6207 178.8792 49 Q 4.0037 8.0840 118.0034 58.8980 28.7877 178.6186 50 L 4.3626 7.5743 120.7624 54.8409 41.6140 178.0869 51 G 3.7663 7.3481 105.4743 46.0160 0.0000 173.8302 52 L 4.2707 6.8332 118.7224 54.2880 42.2299 176.9442 53 N 4.7541 8.5591 116.8783 54.0264 39.6683 175.5060 54 E 4.7919 7.9359 117.4617 54.1189 33.3598 176.3987 55 V 3.0052 8.5115 123.0439 65.9254 31.5445 177.5275 56 R 3.9317 7.8375 116.7899 58.6207 30.5583 177.3167 57 A 4.2436 7.4962 121.9746 52.3282 16.1103 179.0043 *60 R 4.0430 7.3872 121.1204 55.6735 30.8532 176.7241 61 C 2.4500 7.7444 117.7331 60.8048 28.5423 174.7321 62 K 4.2800 7.4978 117.2711 56.3178 32.3093 177.1947 63 E 4.1814 7.8829 120.5205 55.9684 31.1812 177.5495 64 E 3.9998 8.8029 122.3139 59.5073 29.6236 179.4090 65 L 3.9156 7.9681 119.8570 58.3410 42.1404 178.1655 66 Y 4.0236 8.0813 118.8404 60.7586 38.6617 178.2675 67 K 4.0473 8.0800 119.3325 59.5980 31.9886 179.2532 68 E 3.9573 8.3011 117.9471 58.9421 29.4198 178.4481 69 L 4.2789 7.7169 116.2067 53.6019 42.4400 176.1263 70 N 4.1132 8.1590 116.2699 54.3318 36.5206 175.6763 71 L 3.9802 7.3339 116.8848 55.7749 41.8714 178.5118 72 G 3.7719 7.4991 106.7628 46.1039 0.0000 173.3069 73 D 4.2825 7.7742 120.8227 54.5753 41.1892 177.2417 74 S 4.3074 8.6207 121.3097 60.4586 63.2910 174.8601 75 Q 4.2266 8.3267 119.2774 56.5073 28.8576 175.9568 76 L 4.1614 7.6199 120.0594 54.0444 42.4753 177.8481 77 S 4.3846 8.4141 118.4414 57.9422 65.1465 174.8198 78 D 4.2225 8.6572 122.4642 57.9159 40.4613 178.9645 79 D 4.5323 8.2351 118.3641 57.4469 40.8676 178.5599 80 A 3.9854 8.2260 121.2555 55.2169 18.1395 179.7484 81 L 3.8599 7.5262 116.2288 57.8350 41.7083 179.4154 82 F 4.3436 8.0412 116.9770 60.4669 39.1655 177.1751 83 A 4.2361 8.4792 120.4814 54.9714 17.9962 179.8271 84 A 4.0022 7.9194 115.9073 52.9992 17.9602 179.0871 *86 A 4.3766 7.9158 125.2273 53.6718 20.5171 178.8489 87 E 4.1076 8.2666 115.6407 58.6545 30.1089 176.4483 88 H 4.9275 8.3955 116.2973 52.6766 29.2527 171.9484 89 P 4.4253 0.0000 0.0000 64.6766 31.8162 179.2943 90 K 3.9061 8.3254 119.7484 59.5450 31.9778 177.4557 91 L 4.2146 8.1210 117.5104 56.6394 41.7332 177.1630 92 I 4.0156 7.7638 120.9901 60.2425 37.6054 175.5822 93 E 4.1231 8.5325 126.5886 56.1504 30.2098 175.7359 94 R 4.6578 8.3846 120.3890 53.8558 32.8115 172.9074 95 P 4.8137 0.0000 0.0000 62.7773 33.6170 174.5987 96 I 4.8574 8.2446 121.3447 59.6040 39.7548 174.8004 97 V 4.9545 8.9911 127.4977 61.0635 34.1532 174.3412 98 V 4.9268 8.8921 127.5651 61.3278 34.7408 173.8793 99 C 4.7788 9.3278 127.3743 58.7322 35.2285 173.3079 100 N 4.2057 9.7995 125.6898 54.7671 36.8325 174.5025 101 G 3.9593 8.2153 102.7319 45.7739 0.0000 172.7417 102 Q 4.8107 7.9875 118.0953 53.8664 31.4634 174.2529 103 A 5.2695 8.0376 120.1535 50.6424 23.1764 175.1982 104 R 4.6053 8.8675 117.7238 54.7218 34.9828 174.5625 105 H 4.9095 8.7722 118.9179 54.8959 29.7088 176.2589 106 G 3.9136 8.3430 110.5238 45.4166 0.0000 176.2354 107 R 4.7295 7.3352 117.0857 54.0124 31.8364 173.7210 108 P 4.6597 0.0000 0.0000 60.8651 33.5347 176.2884 109 P 4.2996 0.0000 0.0000 65.5162 31.1642 178.6716 110 E 4.0734 8.2163 116.0829 58.9648 29.2989 178.7715 111 Q 4.0279 8.2953 120.0526 59.2259 29.0933 178.7507 112 V 3.7687 7.9156 113.1652 63.7977 31.5467 178.2429 113 L 4.1110 7.9611 118.7840 57.2322 41.1242 178.8518 114 E 4.0708 7.8382 118.1317 58.4623 29.4007 178.2337 115 I 4.3910 7.4093 109.5037 60.5542 38.2376 175.5706 116 L 4.2730 7.6502 125.7412 55.1758 41.6854 176.1593 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 -2 S 8.56 4.37 0.00 3.99 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 -1 N 7.89 4.47 0.00 2.86 2.83 0.00 0.00 6.00 6.38 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 A 9.05 4.18 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 0 S 9.12 4.33 0.00 3.69 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 3 V 7.96 4.66 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 1.06 0.00 0.00 0.93 0.00 0.00 4 V 8.63 4.79 2.13 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 0.80 0.00 0.00 0.97 0.00 0.00 5 I 8.79 5.00 1.88 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 1.32 1.33 0.88 0.00 0.00 6 Y 9.44 4.80 0.00 2.93 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 7 H 9.71 5.18 0.00 3.23 3.17 0.00 5.72 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 8 N 9.00 4.92 0.00 2.91 2.75 0.00 0.00 7.04 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 9 P 0.00 4.20 0.00 2.05 2.12 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 10 K 8.29 4.23 0.00 1.88 1.84 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.34 7.81 11 C 7.94 4.68 0.00 3.02 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 12 S 8.63 4.17 0.00 4.10 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 0.00 13 K 8.03 3.97 0.00 1.89 1.93 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.57 7.81 14 S 8.04 4.15 0.00 3.97 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 15 R 8.38 4.00 0.00 2.05 2.01 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 16 E 8.42 3.95 0.00 2.12 2.13 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 2.32 2.36 0.00 17 T 8.14 3.85 4.41 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 1.24 0.00 0.00 18 L 8.12 3.93 0.00 1.76 1.82 0.86 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.17 4.10 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 20 L 8.18 3.89 0.00 1.89 1.91 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.01 4.02 0.00 1.91 1.70 0.93 0.83 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 22 E 8.25 4.81 0.00 2.12 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 2.32 2.28 0.00 23 N 8.52 4.46 0.00 2.77 2.88 0.00 0.00 7.08 7.69 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 24 Q 7.55 4.38 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.11 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 25 G 8.18 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 26 I 7.79 4.28 2.03 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 1.23 0.72 0.91 0.00 0.00 27 A 8.26 4.86 1.22 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 28 P 0.00 4.69 0.00 2.07 2.05 0.00 3.75 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 1.95 1.94 0.00 29 Q 8.82 4.07 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 30 V 8.34 4.55 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 0.88 0.00 0.00 0.88 0.00 0.00 31 I 8.64 4.21 1.20 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.36 0.91 0.00 0.00 32 K 8.83 4.72 0.00 1.80 1.70 0.00 1.93 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.40 7.81 33 Y 8.34 4.53 0.00 3.43 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.90 3.81 0.00 1.33 1.59 0.78 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.74 4.34 0.00 2.01 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 2.20 2.26 0.00 36 T 8.44 4.26 4.29 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 1.30 0.00 0.00 37 S 8.20 3.89 0.00 4.00 3.92 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 38 P 0.00 4.43 0.00 2.15 2.08 0.00 3.91 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 39 S 8.85 4.37 0.00 4.07 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 40 V 8.36 3.56 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 1.02 0.00 0.00 0.97 0.00 0.00 41 E 8.08 3.86 0.00 1.99 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 2.36 2.32 0.00 42 E 8.05 3.95 0.00 2.22 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 0.00 2.38 2.38 0.00 43 L 8.13 3.99 0.00 1.89 1.97 1.09 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.06 3.41 0.00 1.60 1.55 0.00 1.37 0.00 0.00 1.29 0.00 0.00 2.63 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 0.40 7.81 45 R 8.15 3.86 0.00 1.88 2.05 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 46 L 8.11 4.05 0.00 1.82 1.60 0.31 0.78 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 47 Y 8.17 4.24 0.00 3.41 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 48 Q 7.99 3.79 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 49 Q 8.08 4.00 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 50 L 7.57 4.36 0.00 1.71 1.65 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.35 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 52 L 6.83 4.27 0.00 1.65 1.70 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.56 4.75 0.00 2.73 2.90 0.00 0.00 6.71 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 54 E 7.94 4.79 0.00 1.97 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 2.32 2.23 0.00 55 V 8.51 3.01 1.66 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 -0.11 0.00 0.00 0.11 0.00 0.00 56 R 7.84 3.93 0.00 1.83 1.98 0.00 3.30 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 57 A 7.50 4.24 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 *60 R 7.39 4.04 0.00 1.90 1.89 0.00 3.26 0.00 0.00 3.53 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 61 C 7.74 2.45 0.00 2.59 2.32 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 62 K 7.50 4.28 0.00 1.67 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.33 7.81 63 E 7.88 4.18 0.00 2.13 1.91 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 2.36 2.51 0.00 64 E 8.80 4.00 0.00 1.99 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 2.33 0.00 65 L 7.97 3.92 0.00 1.77 1.71 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.08 4.02 0.00 3.11 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 67 K 8.08 4.05 0.00 1.97 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.80 7.81 68 E 8.30 3.96 0.00 2.05 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 2.46 2.49 0.00 69 L 7.72 4.28 0.00 1.48 1.59 0.74 0.75 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 70 N 8.16 4.11 0.00 2.80 2.80 0.00 0.00 7.00 7.39 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 71 L 7.33 3.98 0.00 0.27 1.01 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.50 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 73 D 7.77 4.28 0.00 2.76 2.55 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 74 S 8.62 4.31 0.00 4.01 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 75 Q 8.33 4.23 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 76 L 7.62 4.16 0.00 1.66 1.54 0.85 0.88 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 77 S 8.41 4.38 0.00 4.05 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 78 D 8.66 4.22 0.00 2.79 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 D 8.24 4.53 0.00 2.72 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 80 A 8.23 3.99 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 81 L 7.53 3.86 0.00 1.43 1.45 0.77 0.68 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 82 F 8.04 4.34 0.00 3.15 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 83 A 8.48 4.24 1.42 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 0.00 0.00 84 A 7.92 4.00 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 *86 A 7.92 4.38 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 87 E 8.27 4.11 0.00 1.89 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 2.17 1.80 0.00 88 H 8.40 4.93 0.00 3.31 3.18 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 89 P 0.00 4.43 0.00 2.48 2.48 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 90 K 8.33 3.91 0.00 1.78 1.98 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.55 7.81 91 L 8.12 4.21 0.00 1.81 1.82 1.01 1.02 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 92 I 7.76 4.02 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.70 0.00 0.00 93 E 8.53 4.12 0.00 1.80 1.69 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 2.03 2.11 0.00 94 R 8.38 4.66 0.00 1.86 1.66 0.00 3.42 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 95 P 0.00 4.81 0.00 2.22 2.32 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 96 I 8.24 4.86 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 0.83 0.00 0.00 97 V 8.99 4.95 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 1.04 0.00 0.00 0.97 0.00 0.00 98 V 8.89 4.93 2.19 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 0.93 0.00 0.00 1.08 0.00 0.00 99 C 9.33 4.78 0.00 3.00 2.83 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 0.00 100 N 9.80 4.21 0.00 2.79 2.77 0.00 0.00 7.22 7.98 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 0.00 101 G 8.22 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 0.00 102 Q 7.99 4.81 0.00 2.06 1.95 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 2.45 2.39 0.00 103 A 8.04 5.27 1.14 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 0.00 0.00 104 R 8.87 4.61 0.00 1.67 1.76 0.00 3.28 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.89 0.00 105 H 8.77 4.91 0.00 3.04 3.19 0.00 5.71 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 0.00 106 G 8.34 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 0.00 0.00 0.00 107 R 7.34 4.73 0.00 1.75 1.81 0.00 3.31 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 108 P 0.00 4.66 0.00 2.22 2.17 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 109 P 0.00 4.30 0.00 2.18 2.20 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 110 E 8.22 4.07 0.00 2.06 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 2.40 2.43 0.00 111 Q 8.30 4.03 0.00 2.16 2.35 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 2.37 2.42 0.00 112 V 7.92 3.77 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 0.98 0.00 0.00 1.03 0.00 0.00 113 L 7.96 4.11 0.00 1.81 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.84 4.07 0.00 2.04 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 2.38 0.00 115 I 7.41 4.39 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 1.62 0.69 0.90 0.00 0.00 116 L 7.65 4.27 0.00 1.65 1.61 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.