NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.8046 8.3033 117.8273 55.4947 29.3725 173.1817 3 T 3.6452 8.3641 121.2612 66.0935 68.6143 173.8496 4 A 4.0264 8.2184 122.3927 55.2104 18.7753 179.0371 5 L 3.0615 7.6738 118.1685 58.0552 42.1030 179.0309 6 I 3.4937 7.6639 119.7726 64.3591 36.7621 178.1993 7 N 4.2960 8.1130 116.6064 56.4500 38.7476 176.7147 8 H 4.4711 8.1745 119.4668 59.4065 29.9812 177.3619 9 I 3.1704 7.7177 121.7745 64.3072 36.6540 178.5065 10 R 4.4383 7.9015 118.6557 57.8269 29.9059 178.7172 11 K 3.9669 7.7163 117.5313 58.1695 31.9635 177.4699 12 F 4.8669 8.2919 116.5776 57.3202 41.4536 175.0557 13 I 4.8332 7.4040 111.9836 58.6909 40.7198 173.6584 14 F 4.5952 8.6568 123.0532 57.4467 40.0326 174.7563 15 L 4.1312 6.9179 128.4923 52.1936 44.6416 176.3984 16 T 3.8642 7.9047 116.6909 61.7360 70.6685 174.7042 17 D 4.3409 8.5905 122.3834 57.3494 40.7599 178.9918 18 E 3.9321 8.0479 117.6047 59.8082 29.7458 178.9141 19 D 4.3179 8.1906 120.3828 56.4748 40.8182 178.6290 20 A 4.0364 8.4324 122.0002 55.0344 18.1384 179.9236 21 G 3.5502 7.9172 103.1131 48.2489 0.0000 175.7446 22 T 4.1035 8.2221 118.8215 66.2217 68.5040 176.4769 23 L 4.1463 8.5343 122.5476 58.4632 42.1415 179.0240 24 S 4.3547 8.3591 114.8369 61.8095 62.5623 176.5147 25 A 4.1792 7.7656 121.3767 54.3686 18.1808 178.8893 26 F 4.1354 8.5123 115.0270 57.8909 39.5620 175.2253 27 F 5.1283 7.9946 117.6365 55.8032 41.0104 175.1632 28 Q 4.7101 8.8673 121.9939 54.2707 30.9028 174.6476 29 L 4.7132 8.5668 125.7591 54.8043 43.2461 175.9204 30 K 4.7172 9.4130 125.4618 54.6162 35.6162 175.0876 31 K 5.0721 8.8204 124.2255 54.7800 34.4784 176.2055 32 V 4.5609 8.5580 116.8518 59.4520 35.8767 175.6147 33 R 4.6597 8.7035 123.5525 55.5445 30.8984 176.5492 34 K 4.0921 8.6082 120.4450 57.1086 33.2480 176.4752 35 K 3.9296 8.4736 119.0862 57.6725 30.3621 175.0451 36 E 4.6546 8.1173 118.2832 55.2855 31.4047 175.5039 37 T 4.8276 8.5891 121.3823 63.2189 68.9267 174.5621 38 L 4.5940 9.1886 126.3297 55.5159 43.5872 176.6767 39 L 4.8897 7.7240 119.2735 53.4528 45.9154 174.6321 40 K 3.7276 8.6197 123.7517 53.8539 35.6672 175.9106 41 T 3.8573 6.6231 119.2268 65.7400 68.7278 174.2566 42 G 3.9282 8.9356 115.1527 45.0120 0.0000 173.3628 43 E 4.1890 7.8761 121.2784 55.5841 30.9981 176.0515 44 I 4.2121 8.2406 127.3581 61.6415 37.8341 174.9694 45 C 4.4456 8.6333 128.8411 59.1100 31.5251 173.1163 46 R 4.7305 8.9586 124.2442 55.9461 32.8646 175.5713 47 I 5.0456 7.9413 118.6821 59.2469 40.2833 174.3232 48 N 4.5893 8.9727 124.9805 51.8698 41.3655 172.6724 49 Y 5.4125 9.0274 123.5166 56.2873 41.0923 174.2108 50 F 4.2418 9.2036 126.3712 56.0956 41.8231 174.5635 51 V 3.9098 7.6743 127.1872 62.1106 31.5140 176.6237 52 V 3.5286 8.3133 129.3611 65.3654 32.0985 176.3216 53 K 4.3862 8.0313 120.4136 55.7097 35.4402 173.9368 54 G 4.2029 8.9812 110.5676 43.9340 0.0000 172.7014 55 C 4.8680 8.4833 118.9630 58.6191 35.0815 173.7238 56 L 5.3633 8.9221 126.1152 52.9857 44.7914 175.5059 57 R 4.9675 9.1458 117.4695 54.3670 33.2090 173.7483 58 L 5.3002 8.6875 123.5652 53.5532 44.3083 175.2058 59 F 5.7284 8.9691 120.2276 55.8083 42.2057 172.6465 60 F 5.4707 9.2352 113.4967 55.3496 41.8946 173.4307 61 I 4.9221 8.5619 119.9700 59.5203 38.8968 176.0234 62 D 4.9047 8.8747 127.9926 52.3937 40.5302 176.5771 63 E 4.2928 8.7083 115.2714 57.5310 29.6242 177.2545 64 K 4.2718 8.4623 118.5017 56.2324 32.6779 177.2285 65 G 3.9112 8.4138 107.6385 45.3172 0.0000 173.3056 66 I 4.1025 7.5839 120.9870 60.2433 38.5816 174.9616 67 E 4.4089 8.6241 127.0696 56.2748 30.3672 176.1407 68 Q 4.3834 8.7976 124.1321 54.2735 31.2451 175.0554 69 T 4.7767 8.4731 121.9090 63.0934 69.4286 174.7862 70 T 4.6343 8.6250 116.1326 62.2557 70.9000 174.1958 71 Q 4.6585 7.4591 121.0834 55.1530 32.3387 172.6915 72 F 5.4843 8.9790 122.1068 55.6480 42.8854 174.5464 73 A 4.9073 9.1663 122.3541 50.6024 21.9774 176.0382 74 I 4.9132 8.2423 117.4955 59.0268 41.1657 174.6072 75 E 3.9618 8.6087 119.1283 58.6891 29.2742 176.6118 76 N 3.9650 8.8398 118.0387 53.2948 36.6665 173.0475 77 W 5.2577 7.4454 127.8689 55.6254 34.9360 173.5002 78 W 5.4049 8.0878 120.0912 55.1690 31.7433 175.3313 79 L 4.9364 9.2946 123.0739 54.5604 45.5666 174.3433 80 S 4.6487 7.7970 118.4399 57.5940 65.8370 173.2703 81 D 4.5568 8.3131 121.0328 52.4178 41.1752 177.3318 82 Y 4.5139 8.0977 127.3793 57.7708 37.6997 178.4258 *84 A 4.2062 8.1533 124.3876 52.2827 20.5415 179.5820 85 F 4.3412 8.7290 118.5211 61.4912 39.5336 177.4420 86 Q 3.3916 8.1892 117.0561 58.1812 28.5607 176.9619 87 K 3.9639 7.7086 115.3334 55.5818 33.1958 175.8193 88 Q 3.2876 7.0939 116.7684 56.6868 26.3210 171.4692 89 Q 4.6134 8.0445 115.3326 53.5299 33.4823 173.7444 90 P 4.6334 0.0000 0.0000 62.9636 31.9037 176.7066 91 A 4.2210 9.0095 126.2501 52.3710 18.9191 178.4563 92 D 4.2607 9.2414 121.7064 55.8954 41.3557 176.8925 93 F 5.2225 8.0049 115.4416 55.7788 42.2375 174.9076 94 Y 4.5221 8.9668 118.7504 57.2261 39.8279 174.7076 95 I 5.0957 8.4398 122.6455 59.6822 40.7045 174.4906 96 Q 5.1317 9.0214 127.0217 54.2166 33.1003 173.9649 97 S 4.6066 8.9502 120.9257 58.8220 63.7254 174.8956 98 V 3.9690 8.9319 123.4503 64.1442 32.3069 174.9781 99 E 4.8555 7.8189 117.8544 53.6805 33.8328 175.0567 100 N 4.8051 8.7241 117.9394 54.1763 39.1847 174.8200 101 C 5.1444 9.4623 120.3439 57.9798 32.7733 172.6896 102 E 5.0781 8.8758 121.5555 54.8015 31.3201 175.2314 103 L 5.3341 9.4891 124.5535 52.8108 46.2123 175.3426 104 L 5.4657 9.0555 120.9390 53.1077 44.7155 175.9341 105 S 5.3946 9.3155 118.4096 56.7186 66.3584 172.9119 106 I 5.0021 8.4881 120.8743 59.6723 41.7058 174.7472 107 T 5.4804 8.9410 117.9173 60.2790 70.3684 175.1615 108 Y 3.5468 8.7319 122.6752 61.0999 38.5760 178.4020 109 T 3.7240 7.9039 115.9073 66.7484 68.5423 176.2504 110 E 4.0401 8.0644 120.2992 59.4645 29.4614 179.1819 111 Q 3.5451 8.2772 119.9765 59.0412 28.9497 178.2345 112 E 3.9791 7.8637 119.5515 59.4047 29.4485 178.9595 113 N 4.3120 8.0352 116.5239 56.2771 38.6291 177.1566 114 L 3.0884 7.7350 121.9157 57.9135 41.6632 179.0043 115 F 4.4191 7.9406 117.7400 60.5696 38.5394 177.2729 116 E 4.0130 7.7780 118.0940 59.0405 29.5286 178.4079 117 R 4.2639 7.9886 118.1212 57.8279 31.6784 176.4677 118 I 4.5964 8.0349 119.7068 57.8556 37.7715 173.9207 119 P 4.6448 0.0000 0.0000 64.3852 31.3081 177.5200 120 A 4.1250 8.1341 119.3824 54.7585 18.2542 178.8121 121 L 4.1657 8.2060 118.4511 57.4622 42.0487 178.6622 122 E 4.1804 8.4660 119.0832 59.7617 29.3697 179.1401 123 R 3.9098 7.9313 118.6461 59.3555 30.0821 177.7044 124 Y 3.9880 8.1125 118.9082 61.0560 38.7722 178.3134 125 F 3.3424 8.3573 118.2252 59.7511 38.8300 177.6583 126 R 3.9184 8.2497 119.0213 59.5691 29.8608 178.6119 127 L 3.9232 7.7085 118.5975 57.5191 41.5189 179.4567 128 V 3.2465 7.1234 118.4163 66.3037 31.1891 177.8251 129 Y 4.3161 8.1026 116.5325 60.7648 37.5734 177.9480 130 Q 4.1518 8.4941 121.0315 59.3766 29.1725 178.6960 131 K 4.0896 8.3881 119.4550 59.5497 32.0392 179.6073 132 S 4.4162 8.7986 115.8076 61.6212 62.7141 176.5494 133 F 4.5175 8.9132 123.5635 61.2660 39.1653 176.9568 134 A 3.7092 8.3523 120.3425 55.1858 18.1587 179.4118 135 A 3.9501 8.2668 119.0745 55.2990 18.5249 179.7421 136 A 4.0309 8.3080 119.3585 55.2738 18.3106 179.7327 137 Q 3.8748 8.2591 116.8577 59.2242 28.7746 179.3113 138 L 3.5002 7.7007 119.7043 57.6848 41.6168 179.6088 139 R 4.0619 8.2829 118.4024 59.4995 29.7740 178.9877 140 S 4.1281 7.6027 111.5832 61.1226 62.1867 175.9585 141 K 4.0278 7.5354 122.2329 59.6969 31.7958 178.9682 142 F 4.8698 7.9579 117.0203 60.7280 38.8789 177.4083 143 Q 4.2774 8.6025 117.6168 59.1280 28.6753 177.8138 144 H 4.1391 7.6304 114.9843 58.2434 29.8375 174.6143 *146 Y 4.6037 7.7261 122.1091 59.1517 38.1977 174.7194 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 H 8.30 4.80 0.00 3.10 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.36 3.65 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 1.21 0.00 0.00 4 A 8.22 4.03 1.44 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 0.00 0.00 5 L 7.67 3.06 0.00 1.05 1.46 -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.66 3.49 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.74 0.80 0.00 0.00 7 N 8.11 4.30 0.00 2.87 2.91 0.00 0.00 7.01 8.55 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 8 H 8.17 4.47 0.00 3.60 3.51 0.00 5.59 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 9 I 7.72 3.17 1.62 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.51 0.00 0.00 10 R 7.90 4.44 0.00 1.78 1.94 0.00 3.04 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 11 K 7.72 3.97 0.00 1.23 1.19 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.60 7.81 12 F 8.29 4.87 0.00 3.23 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 13 I 7.40 4.83 1.97 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 1.48 0.81 1.14 0.00 0.00 14 F 8.66 4.60 0.00 3.06 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 15 L 6.92 4.13 0.00 1.31 1.18 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.90 3.86 4.48 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 1.35 0.00 0.00 17 D 8.59 4.34 0.00 2.69 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 18 E 8.05 3.93 0.00 2.16 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 0.00 2.36 2.36 0.00 19 D 8.19 4.32 0.00 2.77 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 20 A 8.43 4.04 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 21 G 7.92 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 0.00 0.00 0.00 22 T 8.22 4.10 4.44 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 1.38 0.00 0.00 23 L 8.53 4.15 0.00 1.77 1.96 0.82 0.92 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 24 S 8.36 4.35 0.00 4.08 3.81 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 25 A 7.77 4.18 1.30 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 0.00 0.00 0.00 26 F 8.51 4.14 0.00 3.08 2.80 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 27 F 7.99 5.13 0.00 3.13 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 28 Q 8.87 4.71 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 29 L 8.57 4.71 0.00 1.70 1.63 1.05 0.60 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 30 K 9.41 4.72 0.00 1.76 1.74 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.72 7.81 31 K 8.82 5.07 0.00 1.63 1.72 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.46 7.81 32 V 8.56 4.56 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 0.71 0.00 0.00 0.89 0.00 0.00 33 R 8.70 4.66 0.00 1.70 1.87 0.00 3.23 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 34 K 8.61 4.09 0.00 1.92 1.81 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.28 7.81 35 K 8.47 3.93 0.00 1.94 1.95 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 E 8.12 4.65 0.00 2.00 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 2.34 2.43 0.00 37 T 8.59 4.83 4.36 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 1.50 0.00 0.00 38 L 9.19 4.59 0.00 1.36 1.69 0.37 0.83 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 39 L 7.72 4.89 0.00 1.78 1.52 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.62 3.73 0.00 1.45 0.99 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.28 7.81 41 T 6.62 3.86 4.16 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 1.22 0.00 0.00 42 G 8.94 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 0.00 0.00 0.00 43 E 7.88 4.19 0.00 1.98 1.86 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 2.28 2.26 0.00 44 I 8.24 4.21 1.86 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 1.20 0.62 0.88 0.00 0.00 45 C 8.63 4.45 0.00 3.03 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 46 R 8.96 4.73 0.00 1.80 1.97 0.00 3.30 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 47 I 7.94 5.05 1.66 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 1.19 0.63 -0.02 0.00 0.00 48 N 8.97 4.59 0.00 1.88 2.66 0.00 0.00 6.86 7.31 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 49 Y 9.03 5.41 0.00 3.07 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 50 F 9.20 4.24 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 51 V 7.67 3.91 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 0.78 0.00 0.00 0.85 0.00 0.00 52 V 8.31 3.53 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 0.78 0.00 0.00 1.05 0.00 0.00 53 K 8.03 4.39 0.00 1.79 1.53 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 54 G 8.98 4.20 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 0.00 55 C 8.48 4.87 0.00 2.96 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 56 L 8.92 5.36 0.00 1.66 1.53 0.75 0.39 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 57 R 9.15 4.97 0.00 1.37 1.99 0.00 2.65 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 58 L 8.69 5.30 0.00 1.65 1.40 0.83 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.97 5.73 0.00 3.15 3.02 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 60 F 9.24 5.47 0.00 3.16 3.11 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 61 I 8.56 4.92 2.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.97 0.00 0.00 62 D 8.87 4.90 0.00 3.03 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 63 E 8.71 4.29 0.00 2.11 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 0.00 2.31 2.45 0.00 64 K 8.46 4.27 0.00 1.93 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.52 7.81 65 G 8.41 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 66 I 7.58 4.10 2.11 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.96 0.83 0.00 0.00 67 E 8.62 4.41 0.00 1.51 1.30 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 2.11 2.12 0.00 68 Q 8.80 4.38 0.00 0.93 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 69 T 8.47 4.78 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 0.64 0.00 0.00 70 T 8.63 4.63 4.36 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 1.68 0.00 0.00 71 Q 7.46 4.66 0.00 2.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 72 F 8.98 5.48 0.00 2.98 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 73 A 9.17 4.91 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 74 I 8.24 4.91 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.90 0.00 0.00 75 E 8.61 3.96 0.00 2.00 2.07 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 2.25 2.27 0.00 76 N 8.84 3.96 0.00 2.93 3.09 0.00 0.00 6.68 8.34 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 77 W 7.45 5.26 0.00 3.34 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 78 W 8.09 5.40 0.00 2.88 3.24 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 79 L 9.29 4.94 0.00 1.90 1.59 1.04 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.80 4.65 0.00 3.22 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 81 D 8.31 4.56 0.00 2.87 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 82 Y 8.10 4.51 0.00 3.12 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 *84 A 8.15 4.21 1.52 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 0.00 0.00 85 F 8.73 4.34 0.00 2.99 3.30 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 0.00 86 Q 8.19 3.39 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 87 K 7.71 3.96 0.00 1.66 1.89 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.35 7.81 88 Q 7.09 3.29 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 89 Q 8.04 4.61 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.92 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 90 P 0.00 4.63 0.00 1.90 2.10 0.00 3.63 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 1.99 2.07 0.00 91 A 9.01 4.22 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 92 D 9.24 4.26 0.00 2.26 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 0.00 0.00 0.00 93 F 8.00 5.22 0.00 2.89 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 94 Y 8.97 4.52 0.00 1.43 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 0.00 0.00 0.00 0.00 95 I 8.44 5.10 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.83 0.00 0.00 96 Q 9.02 5.13 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 97 S 8.95 4.61 0.00 4.19 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 98 V 8.93 3.97 2.28 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 0.81 0.00 0.00 1.18 0.00 0.00 99 E 7.82 4.86 0.00 1.91 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 2.26 2.29 0.00 100 N 8.72 4.81 0.00 2.60 2.76 0.00 0.00 6.65 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 0.00 101 C 9.46 5.14 0.00 2.74 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 0.00 102 E 8.88 5.08 0.00 1.90 1.86 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 2.24 2.25 0.00 103 L 9.49 5.33 0.00 1.65 1.70 0.69 0.27 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 0.00 104 L 9.06 5.47 0.00 1.61 1.63 0.69 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 S 9.32 5.39 0.00 3.68 4.05 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 0.00 106 I 8.49 5.00 0.97 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.62 1.04 0.00 0.00 107 T 8.94 5.48 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 1.28 0.00 0.00 108 Y 8.73 3.55 0.00 2.01 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 0.00 109 T 7.90 3.72 4.23 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 1.20 0.00 0.00 110 E 8.06 4.04 0.00 2.15 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 0.00 2.35 2.32 0.00 111 Q 8.28 3.55 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 112 E 7.86 3.98 0.00 1.85 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 1.47 1.80 0.00 113 N 8.04 4.31 0.00 3.09 3.05 0.00 0.00 6.68 6.61 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 0.00 114 L 7.74 3.09 0.00 0.48 1.17 0.35 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.94 4.42 0.00 3.21 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 0.00 116 E 7.78 4.01 0.00 1.95 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 2.34 2.32 0.00 117 R 7.99 4.26 0.00 1.98 2.02 0.00 3.36 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.78 0.00 118 I 8.03 4.60 1.81 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 1.28 0.79 0.90 0.00 0.00 119 P 0.00 4.64 0.00 2.20 2.15 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 120 A 8.13 4.13 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 0.00 121 L 8.21 4.17 0.00 2.13 1.91 0.78 0.63 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 0.00 122 E 8.47 4.18 0.00 2.17 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 2.55 2.47 0.00 123 R 7.93 3.91 0.00 1.93 2.17 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 124 Y 8.11 3.99 0.00 3.00 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 0.00 125 F 8.36 3.34 0.00 3.36 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 0.00 126 R 8.25 3.92 0.00 2.00 2.09 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 127 L 7.71 3.92 0.00 1.50 1.45 1.13 0.87 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 0.00 128 V 7.12 3.25 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 0.00 0.00 -0.11 0.00 0.00 -0.71 0.00 0.00 129 Y 8.10 4.32 0.00 3.02 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 0.00 130 Q 8.49 4.15 0.00 2.33 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 131 K 8.39 4.09 0.00 2.38 1.90 0.00 2.06 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.68 7.81 132 S 8.80 4.42 0.00 4.28 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 0.00 133 F 8.91 4.52 0.00 3.09 3.31 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 0.00 134 A 8.35 3.71 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 0.00 135 A 8.27 3.95 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 0.00 136 A 8.31 4.03 1.55 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 0.00 0.00 137 Q 8.26 3.87 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 138 L 7.70 3.50 0.00 1.75 1.25 0.98 0.77 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 0.00 139 R 8.28 4.06 0.00 2.09 2.08 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 140 S 7.60 4.13 0.00 3.91 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 0.00 141 K 7.54 4.03 0.00 1.66 1.48 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 142 F 7.96 4.87 0.00 3.18 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 0.00 143 Q 8.60 4.28 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.96 0.00 0.00 0.00 0.00 0.00 2.84 2.54 0.00 144 H 7.63 4.14 0.00 3.15 3.48 0.00 5.98 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *146 Y 7.73 4.60 0.00 3.09 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 * Residues marked with a * may have inaccurate shift predictions.