NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2870 8.1076 123.5746 52.0106 20.0986 177.8858 4 H 4.1251 8.5190 118.6597 58.0149 28.3592 174.6216 5 E 3.9806 8.0752 121.3961 59.2436 29.8740 179.6500 6 L 3.7893 7.8102 119.6117 58.2857 42.0082 178.7773 7 K 3.8820 7.8246 117.7349 59.9395 32.1586 179.1528 8 E 3.9807 8.7542 118.6681 59.1780 29.3674 179.2599 9 A 4.0797 8.3743 121.1936 55.1865 18.4505 179.7424 10 L 3.9887 8.1239 117.5273 58.1774 41.6161 178.7317 11 E 3.8499 8.4821 117.8914 60.3745 28.9058 179.3539 12 T 3.8935 8.1147 114.2859 67.0536 68.7814 176.5308 13 L 4.0620 8.0464 120.3852 57.8073 41.6861 179.5633 14 K 3.9535 8.5298 119.9244 59.4883 31.9229 178.1920 15 E 4.0413 8.2379 119.0239 59.3505 29.5218 178.1919 16 T 4.3186 7.4776 106.5478 61.2614 69.3861 174.9939 17 G 3.7835 8.2080 110.2046 46.6294 0.0000 173.5080 18 V 4.0399 7.6019 119.9496 60.7283 32.1510 175.8268 19 R 3.9739 8.5908 127.7613 56.7167 30.4238 176.2702 20 I 4.3336 8.1630 125.9417 59.9797 37.1390 175.7557 21 T 4.5410 7.8456 116.0042 59.5339 72.1271 173.5186 22 P 4.3643 0.0000 0.0000 66.0270 31.3137 178.7981 23 Q 3.2523 7.9873 117.7823 58.8925 29.0519 178.1604 24 R 4.1985 7.8772 118.7068 59.5550 30.1631 178.4936 25 H 4.0785 8.3010 117.7098 59.1928 29.8706 177.1939 26 A 4.0651 8.1494 122.5294 55.3414 18.2621 179.6230 27 I 3.6693 7.8229 118.3149 64.5657 37.1063 178.7547 28 L 3.6935 7.8397 119.8133 57.5364 41.5336 179.0701 29 E 3.7614 7.9820 119.2739 59.0840 29.2467 178.4048 30 Y 3.8875 7.7311 118.9627 60.5888 38.8791 177.0385 31 L 4.0774 7.9106 120.0479 58.1936 41.5701 179.8669 32 V 3.1816 7.3613 116.6079 65.5951 31.4264 176.8517 33 N 4.4928 7.3270 113.0001 52.5464 39.0006 175.0963 34 S 4.1009 6.8200 115.6732 57.9058 62.8799 173.4887 35 M 4.1604 8.0709 126.7479 57.2861 33.4064 177.3633 36 A 3.9749 7.8749 121.7520 53.2070 18.6711 175.8015 *38 P 4.5259 0.0000 0.0000 61.5880 34.6250 177.6288 39 T 5.0521 8.9411 110.1481 59.9779 70.5494 175.8563 40 A 3.7444 8.9402 123.4958 55.5174 18.2529 179.6705 41 D 4.3413 8.0867 116.7432 57.4192 40.9160 178.5244 42 D 4.3454 8.4129 119.8109 57.5634 40.9849 178.4454 43 I 2.6658 7.5059 119.5679 64.3779 37.0174 177.4790 44 Y 4.0934 8.0226 120.0993 61.1408 38.3654 178.9619 45 K 3.6696 7.7048 116.9889 59.0960 32.1893 179.0563 46 A 4.0463 7.7275 120.3482 54.2156 18.5501 178.6478 47 L 4.4861 7.2842 115.6765 55.2847 41.1905 178.5952 48 E 3.9720 7.7459 118.5902 59.1274 29.2414 178.9947 49 G 3.8920 8.0284 105.4589 47.4964 0.0000 174.5179 50 K 4.0107 7.3526 117.2040 56.1140 32.9846 176.5038 51 F 4.8092 7.7033 117.2343 54.7516 42.3557 171.3197 52 P 4.2890 0.0000 0.0000 64.0087 30.3550 178.3119 53 N 3.9485 8.4978 118.2301 55.2777 39.8967 174.5950 54 M 4.1575 7.9707 119.0954 55.3053 32.1722 176.4303 55 S 4.6966 8.0498 121.7142 57.0596 66.4553 175.1806 56 V 3.2179 7.6923 120.8390 65.7812 30.9636 177.7148 57 A 4.0668 7.9130 120.3744 55.5702 18.2496 179.5411 58 T 3.7617 7.7842 107.5010 64.8093 68.5243 176.2955 59 V 3.3801 7.3941 120.7141 66.2255 31.4180 177.3359 60 Y 3.9999 7.5724 115.4672 61.3029 37.6771 178.7432 61 N 4.2844 8.5047 117.4326 56.5471 38.5976 177.3027 62 N 3.9350 8.2506 118.0413 55.9980 38.5960 177.5519 63 L 3.9027 7.8620 120.7616 57.4866 41.5598 179.5346 64 R 3.9379 8.1143 118.9751 59.2547 30.1325 178.6488 65 V 3.5283 7.3181 117.8507 66.2308 31.4921 177.8936 66 F 4.5599 7.8056 117.7573 60.8132 38.7028 177.7387 67 R 4.4411 7.8950 119.1418 58.8545 29.7451 178.3463 68 E 4.0711 8.2419 117.4815 59.2213 29.5294 178.6703 69 S 4.5294 7.9821 112.5959 58.5526 63.1370 174.9861 70 G 3.9341 7.9704 109.9955 45.8311 0.0000 174.3395 71 L 4.3546 8.7207 121.3259 55.2651 43.2781 176.6994 72 V 5.0508 7.7718 117.4294 61.0104 35.7440 174.0126 73 K 4.8197 9.0761 124.9931 54.5069 35.5595 174.8297 74 E 4.3380 8.8959 125.7881 55.3667 30.5773 175.4761 75 L 4.5471 8.4116 128.7243 53.7698 42.8235 176.0204 76 T 4.5983 8.3831 114.8295 60.6379 70.8049 174.1196 77 Y 4.3560 8.1353 124.2886 56.2272 40.2583 174.5772 78 G 3.9143 7.9301 115.8152 45.7986 0.0000 171.8554 79 D 4.4063 9.0118 123.9624 54.6896 38.3476 173.0461 80 A 4.8497 8.4730 122.0805 49.8344 21.7998 176.7915 81 S 4.4140 8.4093 115.4951 58.4286 63.0846 175.1363 82 S 4.4970 8.7500 120.8449 59.0805 64.1788 173.2475 83 R 4.8900 8.3335 119.7910 54.5506 33.7682 174.9936 84 F 5.1885 8.9617 118.7629 55.8884 42.1093 174.2058 85 D 4.8973 9.3856 124.5004 52.4690 42.7928 174.9526 86 F 4.8352 8.9725 129.4460 58.0832 39.9586 174.6085 87 V 4.1275 7.6909 126.7246 61.8994 32.7665 175.1303 88 T 4.3824 8.2039 123.0067 61.6119 70.6627 174.3480 89 S 4.5728 8.2012 119.8798 57.3680 65.1176 173.7346 90 D 4.9397 7.8039 120.3692 52.5824 42.8550 175.3399 *92 Y 4.6644 8.2938 115.9755 58.6215 39.9244 174.1084 *94 A 4.3851 8.1674 121.1641 52.0879 20.7252 175.4986 95 I 4.7919 8.5751 122.9811 59.4833 40.2595 174.4801 96 C 4.6567 9.1344 128.7858 58.6943 31.6901 173.9776 97 E 3.8757 9.0911 127.2120 58.8093 28.9933 177.5225 98 N 4.5395 8.3838 118.1201 55.1906 39.7661 175.2105 99 C 4.2099 7.8583 115.3917 58.7581 30.6811 174.8992 100 G 3.9207 8.4969 108.8889 45.0509 0.0000 173.5072 101 K 4.0721 7.8241 121.3716 56.6855 33.3943 175.2709 102 I 4.9095 8.3277 127.1808 59.5989 39.2179 174.9257 103 V 4.3706 8.3708 127.3377 60.8910 32.9165 175.0784 104 D 4.9481 8.8793 128.7719 54.5681 41.2692 175.7219 105 F 5.1590 8.6683 117.2322 55.5054 41.4394 173.4430 106 H 4.8924 8.9688 118.7467 54.9272 31.4180 173.5524 107 Y 4.2904 7.1391 124.6187 55.6043 41.9622 174.0602 108 P 4.3002 0.0000 0.0000 61.5291 29.6222 176.2455 109 G 4.3338 8.1498 106.5317 45.1823 0.0000 171.0426 110 L 5.0190 8.0461 116.2847 52.8620 42.8359 178.6545 111 D 4.4545 8.4601 120.8065 56.6465 39.3694 177.2793 112 E 3.8901 8.1231 120.0681 59.1896 29.8360 178.6732 113 V 3.6104 7.7927 117.7518 66.1843 31.5726 177.6805 114 E 4.0149 8.2322 118.2513 59.4976 29.3348 179.3448 115 Q 4.0361 8.4529 118.5110 58.7816 28.6635 178.6076 116 L 4.0363 7.9296 120.6737 57.9711 42.2150 178.6017 117 A 3.6461 8.1653 120.5262 55.2502 18.2792 179.5103 118 A 4.1463 8.1342 119.3245 55.2974 18.2027 179.4145 119 H 4.1324 7.7838 115.6810 59.6725 30.1068 177.6368 120 V 3.7402 8.4560 114.0543 63.9348 31.5907 178.0514 121 T 4.2945 8.0123 108.4923 62.2399 69.3271 175.9752 122 G 4.0869 8.1907 109.1655 45.0271 0.0000 173.9448 123 F 3.9626 7.9997 118.3940 57.6162 39.3134 175.0962 124 K 4.3624 8.3854 124.4949 55.0039 32.0260 176.5779 125 V 4.0012 8.2846 124.4650 62.4783 32.4863 174.6350 126 S 4.5858 8.5823 120.2115 59.4733 63.8469 172.9389 127 H 4.7115 7.4899 111.3070 55.4665 30.3143 171.4799 128 H 4.8182 8.5055 113.6241 54.1614 31.3541 172.0438 129 R 4.5445 8.2219 119.6316 54.4556 32.6962 173.6318 130 L 4.6564 8.2454 128.0444 53.3413 44.4534 174.3283 131 E 4.6670 8.7949 125.5805 54.5737 31.8895 175.2167 132 I 4.4944 8.1282 124.4962 59.7971 39.8287 174.2015 133 Y 4.9226 8.5784 124.4951 56.4803 40.2823 176.6523 134 G 3.9968 7.6573 107.7556 46.2347 0.0000 171.8748 135 V 4.6203 8.3514 120.9728 60.2322 34.0907 176.8238 136 C 4.3951 8.5165 122.4381 57.7773 31.6468 174.1394 137 Q 3.9194 8.6045 121.7777 59.7839 27.8593 178.6416 138 E 3.9892 8.1605 118.7325 59.7051 29.5595 178.9628 139 C 4.4245 8.0360 115.9626 62.1413 28.3101 175.9019 140 S 4.1081 8.3961 117.7089 61.7171 62.5933 176.0827 141 K 3.7695 7.8796 121.6999 59.7266 31.5780 178.0448 142 K 3.8176 7.3552 119.1913 59.9147 32.2282 178.2390 143 E 4.0749 7.8354 117.0128 59.6649 29.4130 177.3630 144 N 4.9355 9.1137 117.9490 54.8036 39.8661 174.3646 *145 H 4.4201 8.2853 118.4630 54.6307 27.9573 177.9769 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 3 A 8.11 4.29 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 4 H 8.52 4.13 0.00 3.49 3.60 0.00 5.66 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 5 E 8.08 3.98 0.00 1.96 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 0.00 2.53 2.34 0.00 6 L 7.81 3.79 0.00 1.61 1.75 0.70 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.82 3.88 0.00 2.07 1.88 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.78 7.81 8 E 8.75 3.98 0.00 2.16 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 2.35 2.61 0.00 9 A 8.37 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 3.99 0.00 1.90 1.75 0.96 0.67 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 11 E 8.48 3.85 0.00 2.25 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 2.65 0.00 12 T 8.11 3.89 4.43 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 1.24 0.00 0.00 13 L 8.05 4.06 0.00 1.91 1.79 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.53 3.95 0.00 1.80 1.95 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 15 E 8.24 4.04 0.00 2.25 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 2.34 2.35 0.00 16 T 7.48 4.32 4.27 0.00 0.00 0.00 0.00 0.00 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 17 G 8.21 3.78 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 0.00 0.00 0.00 18 V 7.60 4.04 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 0.83 0.00 0.00 0.98 0.00 0.00 19 R 8.59 3.97 0.00 1.83 1.84 0.00 3.26 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 20 I 8.16 4.33 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.97 0.00 0.00 21 T 7.85 4.54 4.27 0.00 0.00 0.00 0.00 0.00 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 22 P 0.00 4.36 0.00 2.47 2.38 0.00 3.67 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 2.21 2.23 0.00 23 Q 7.99 3.25 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.16 1.81 0.00 24 R 7.88 4.20 0.00 2.04 2.21 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.68 0.00 25 H 8.30 4.08 0.00 3.34 3.49 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.15 4.07 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 27 I 7.82 3.67 2.11 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 1.06 0.00 0.00 28 L 7.84 3.69 0.00 1.75 1.36 0.61 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.98 3.76 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 2.37 2.24 0.00 30 Y 7.73 3.89 0.00 3.04 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 31 L 7.91 4.08 0.00 1.71 1.63 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.36 3.18 1.76 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 0.71 0.00 0.00 0.22 0.00 0.00 33 N 7.33 4.49 0.00 2.63 2.68 0.00 0.00 6.99 7.30 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 34 S 6.82 4.10 0.00 3.77 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 M 8.07 4.16 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 36 A 7.87 3.97 1.18 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 0.00 0.00 *38 P 0.00 4.53 0.00 2.40 2.53 0.00 4.06 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 39 T 8.94 5.05 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 1.28 0.00 0.00 40 A 8.94 3.74 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.09 4.34 0.00 2.75 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 42 D 8.41 4.35 0.00 2.96 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 43 I 7.51 2.67 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.67 0.00 0.00 44 Y 8.02 4.09 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 3.67 0.00 1.86 1.78 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.62 7.81 46 A 7.73 4.05 1.08 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 0.00 0.00 47 L 7.28 4.49 0.00 1.72 1.72 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.75 3.97 0.00 1.91 1.57 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 0.00 1.98 2.12 0.00 49 G 8.03 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 0.00 0.00 0.00 50 K 7.35 4.01 0.00 1.60 1.64 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.46 1.12 7.81 51 F 7.70 4.81 0.00 3.18 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 52 P 0.00 4.29 0.00 2.24 2.03 0.00 3.91 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 53 N 8.50 3.95 0.00 2.82 2.90 0.00 0.00 6.78 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 M 7.97 4.16 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.47 0.00 55 S 8.05 4.70 0.00 4.06 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 56 V 7.69 3.22 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 1.00 0.00 0.00 0.07 0.00 0.00 57 A 7.91 4.07 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 58 T 7.78 3.76 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 1.19 0.00 0.00 59 V 7.39 3.38 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 0.85 0.00 0.00 0.90 0.00 0.00 60 Y 7.57 4.00 0.00 3.27 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 61 N 8.50 4.28 0.00 2.82 2.80 0.00 0.00 7.08 6.59 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 62 N 8.25 3.94 0.00 2.67 2.23 0.00 0.00 7.07 7.25 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 63 L 7.86 3.90 0.00 1.56 1.38 -0.23 0.90 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 64 R 8.11 3.94 0.00 1.90 2.06 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 65 V 7.32 3.53 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 0.92 0.00 0.00 0.91 0.00 0.00 66 F 7.81 4.56 0.00 3.12 3.05 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 67 R 7.90 4.44 0.00 2.07 2.17 0.00 3.22 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 68 E 8.24 4.07 0.00 2.02 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 2.38 2.62 0.00 69 S 7.98 4.53 0.00 4.13 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 70 G 7.97 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 71 L 8.72 4.35 0.00 1.81 1.76 0.99 0.90 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 72 V 7.77 5.05 2.35 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 1.46 0.00 0.00 1.24 0.00 0.00 73 K 9.08 4.82 0.00 1.73 1.67 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81 74 E 8.90 4.34 0.00 2.07 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 2.11 1.75 0.00 75 L 8.41 4.55 0.00 1.59 1.58 0.93 0.30 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 76 T 8.38 4.60 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 1.18 0.00 0.00 77 Y 8.14 4.36 0.00 3.03 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 78 G 7.93 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 79 D 9.01 4.41 0.00 2.91 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 80 A 8.47 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 81 S 8.41 4.41 0.00 3.93 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 82 S 8.75 4.50 0.00 3.47 3.45 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 0.00 0.00 0.00 0.00 83 R 8.33 4.89 0.00 1.73 1.84 0.00 3.07 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 84 F 8.96 5.19 0.00 2.97 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 85 D 9.39 4.90 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.97 4.84 0.00 3.02 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 87 V 7.69 4.13 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 0.69 0.00 0.00 0.94 0.00 0.00 88 T 8.20 4.38 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 0.89 0.00 0.00 89 S 8.20 4.57 0.00 3.92 3.78 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 90 D 7.80 4.94 0.00 2.53 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 0.00 0.00 0.00 *92 Y 8.29 4.66 0.00 2.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.39 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 95 I 8.58 4.79 1.67 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 0.98 0.73 0.98 0.00 0.00 96 C 9.13 4.66 0.00 3.00 2.91 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 97 E 9.09 3.88 0.00 1.95 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 2.44 2.50 0.00 98 N 8.38 4.54 0.00 2.69 2.74 0.00 0.00 7.03 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 99 C 7.86 4.21 0.00 3.13 3.05 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 0.00 100 G 8.50 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 0.00 0.00 0.00 101 K 7.82 4.07 0.00 1.87 1.71 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.50 7.81 102 I 8.33 4.91 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 1.22 0.76 0.95 0.00 0.00 103 V 8.37 4.37 2.16 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 0.84 0.00 0.00 0.96 0.00 0.00 104 D 8.88 4.95 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.67 5.16 0.00 2.97 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 0.00 106 H 8.97 4.89 0.00 3.13 3.27 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.14 4.29 0.00 2.47 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 0.00 108 P 0.00 4.30 0.00 1.85 1.87 0.00 2.20 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 109 G 8.15 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 0.00 0.00 0.00 0.00 110 L 8.05 5.02 0.00 1.54 1.57 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.46 4.45 0.00 2.90 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 0.00 112 E 8.12 3.89 0.00 2.09 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 2.39 2.38 0.00 113 V 7.79 3.61 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 0.99 0.00 0.00 0.93 0.00 0.00 114 E 8.23 4.01 0.00 2.26 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 2.38 2.53 0.00 115 Q 8.45 4.04 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 116 L 7.93 4.04 0.00 1.81 1.67 0.96 1.02 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 0.00 117 A 8.17 3.65 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 0.00 118 A 8.13 4.15 1.48 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 0.00 0.00 119 H 7.78 4.13 0.00 3.19 3.48 0.00 5.75 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 0.00 120 V 8.46 3.74 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 1.00 0.00 0.00 121 T 8.01 4.29 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 1.14 0.00 0.00 122 G 8.19 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.00 3.96 0.00 2.95 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 0.00 124 K 8.39 4.36 0.00 1.73 1.79 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 125 V 8.28 4.00 2.14 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 0.85 0.00 0.00 1.00 0.00 0.00 126 S 8.58 4.59 0.00 3.92 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 0.00 127 H 7.49 4.71 0.00 3.32 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.51 4.82 0.00 3.17 3.31 0.00 5.20 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.22 4.54 0.00 1.70 1.72 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 130 L 8.25 4.66 0.00 1.75 1.44 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.79 4.67 0.00 1.80 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 2.09 2.24 0.00 132 I 8.13 4.49 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.92 0.00 0.00 133 Y 8.58 4.92 0.00 2.82 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 0.00 134 G 7.66 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 0.00 135 V 8.35 4.62 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 0.93 0.00 0.00 0.95 0.00 0.00 136 C 8.52 4.40 0.00 3.19 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 0.00 137 Q 8.60 3.92 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 138 E 8.16 3.99 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 2.40 2.41 0.00 139 C 8.04 4.42 0.00 2.98 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 0.00 140 S 8.40 4.11 0.00 4.03 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 0.00 141 K 7.88 3.77 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 142 K 7.36 3.82 0.00 1.98 1.85 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.65 7.81 143 E 7.84 4.07 0.00 2.00 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 2.35 2.54 0.00 144 N 9.11 4.94 0.00 2.70 3.16 0.00 0.00 7.07 8.26 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 *145 H 8.29 4.42 0.00 3.14 2.93 0.00 7.29 0.00 0.00 0.00 0.00 6.91 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.