NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5116 8.1233 122.4783 52.0147 20.6590 175.8135 2 F 4.6221 8.8831 118.2946 55.5293 41.4626 170.0381 3 V 4.5290 9.0195 119.5447 61.4725 35.4391 173.6620 4 V 4.6277 8.9126 128.0804 62.4988 31.9187 175.0464 5 T 4.0826 8.6710 120.7906 59.7751 71.3324 173.6035 6 D 4.1615 7.7426 118.4601 58.0705 41.0949 178.8977 7 N 4.6292 8.0444 114.6927 55.3093 39.4830 175.1512 8 C 4.3570 8.0597 117.9576 62.5953 31.7850 173.7907 9 I 4.2367 8.0274 121.5347 62.5693 36.9292 176.7254 10 K 3.8411 8.8664 123.1753 57.1496 30.2203 175.6604 11 C 4.4674 7.5298 114.0038 59.7356 30.1984 172.9905 12 K 3.6226 8.4215 116.7003 57.7243 31.9723 175.4137 *14 T 4.2762 8.1988 113.5235 61.2859 70.4820 175.3873 15 D 4.2921 7.9475 124.7521 57.7051 41.4255 178.0994 16 C 3.8565 8.0253 113.7740 61.2623 29.4872 176.4399 17 V 3.1815 7.1531 113.0798 63.6421 31.3236 177.9468 18 E 3.8527 7.6394 118.8426 58.8620 29.3023 178.3076 19 V 4.0669 6.9778 113.9613 61.5116 32.4364 175.5918 20 C 4.3157 7.6160 122.9682 58.6029 31.6732 171.6403 21 P 4.3843 0.0000 0.0000 65.0323 31.3085 177.3312 22 V 4.1362 7.7373 109.3482 60.1988 32.3272 174.8951 23 D 4.4514 7.8902 118.6488 55.7409 38.1646 173.1144 24 C 4.8890 7.8989 108.2245 58.4816 31.6230 173.1812 25 F 4.9752 8.1574 118.2699 57.3021 40.5979 174.3719 26 Y 5.1133 9.3211 121.0888 56.1802 41.2322 174.1125 27 E 4.5578 9.5987 125.0819 54.7381 29.7586 175.6436 28 G 2.2961 8.1330 115.6125 41.9110 0.0000 172.1037 29 P 4.4226 0.0000 0.0000 65.5235 31.3255 178.1237 30 N 4.9434 7.7278 113.8062 52.1037 38.0616 173.3522 31 F 5.2582 7.8402 118.7020 58.1404 42.3329 172.1577 32 L 5.3546 7.5488 123.2312 53.0324 44.8776 176.2535 33 V 4.5966 8.9889 113.9683 59.7523 36.2795 174.3736 34 I 4.4023 8.5768 123.6366 59.7443 38.9139 175.2104 35 H 4.3865 9.3113 128.1785 55.1641 29.8109 174.2022 36 P 4.3561 0.0000 0.0000 65.6952 31.2403 177.1868 37 D 4.5936 8.2495 116.6809 55.4449 41.3424 176.7467 38 E 4.3073 7.9556 117.9865 57.6652 30.5054 176.6629 39 C 4.1092 8.0791 118.9054 59.8475 30.6267 172.7399 40 I 4.2915 8.4808 119.2986 60.2127 37.1017 175.3291 41 D 4.8479 8.2176 118.7245 55.9328 38.2758 175.2561 42 C 3.9965 7.4804 114.0952 59.0107 29.9053 174.4285 43 A 2.7207 6.6813 122.1109 52.6485 16.3316 178.3295 44 L 4.1402 7.1602 120.2855 58.6136 42.1958 178.5980 45 C 4.2808 7.9394 113.6742 60.9258 30.2703 175.5627 46 E 3.9737 8.0727 118.2326 58.4922 29.3134 177.2103 47 P 4.3867 0.0000 0.0000 64.9261 31.6102 177.3266 48 E 4.0249 8.0417 117.3699 58.5140 29.9917 176.7452 49 C 4.1715 7.6323 119.3337 58.6220 31.7404 172.4211 50 P 4.1967 0.0000 0.0000 65.5426 31.0721 177.2471 51 A 4.2131 7.9837 117.8045 52.0641 18.8455 176.6339 52 Q 3.1606 7.4401 113.7799 56.8162 27.0904 174.3395 53 A 4.5026 7.7179 117.2968 52.5337 20.5589 178.0024 54 I 5.4098 7.2397 115.9254 59.4971 38.8676 175.1650 55 F 4.8964 8.5048 122.5938 55.7240 43.9391 174.0247 56 S 2.8357 8.3146 114.8471 57.4074 63.2808 174.4575 57 E 3.8647 8.5462 127.7156 59.6672 29.2982 179.0345 58 D 4.4918 7.9510 115.3226 56.1461 40.9872 176.5820 59 E 4.4250 7.8416 117.4623 55.5680 30.2196 176.3809 60 V 3.0836 7.2871 120.0442 62.0161 32.0512 173.9565 61 P 4.1678 0.0000 0.0000 62.8261 31.9729 176.8942 62 E 3.9127 8.9249 121.4968 59.7585 29.4540 178.6779 63 D 4.7235 8.0032 114.0889 54.6914 39.7696 176.0753 64 M 5.2965 8.3664 119.5517 54.9838 33.6585 177.3516 65 Q 4.0648 8.0522 122.0128 59.2005 28.6808 178.3980 66 E 3.9055 8.3298 119.1089 59.6206 29.2866 179.2768 67 F 4.1639 8.2890 117.3773 59.9838 38.8753 177.8394 68 I 3.7541 7.8802 120.0265 64.5948 36.9937 178.2299 69 Q 3.9943 7.9901 119.8051 58.9258 28.9348 177.8019 70 L 3.9148 7.8808 120.2896 57.7162 41.6730 179.2438 71 N 4.3722 8.5824 116.3814 56.1440 38.2932 177.0500 72 A 3.8712 7.4947 120.3924 55.3346 18.8511 179.2904 73 E 3.9152 8.0946 116.5290 59.7029 29.6782 179.8104 74 L 3.5411 7.8203 118.1933 56.9352 41.2606 179.2727 75 A 3.9069 7.4693 119.9929 54.6861 18.2270 178.9777 76 E 3.9388 7.6036 116.1887 58.2471 29.6991 177.9596 77 V 4.2145 7.3786 109.5231 60.9740 33.2879 175.7804 78 W 5.1715 7.8184 119.6483 54.5349 30.7356 174.2288 79 P 4.7535 0.0000 0.0000 62.6837 32.4014 174.9149 80 N 4.4469 8.8962 120.7050 53.5282 39.7014 173.6873 81 I 4.5931 8.2136 126.5441 59.4948 39.5742 175.1011 82 T 4.4988 8.7245 117.2230 61.0006 70.7290 173.6475 83 E 4.6686 7.7072 120.3517 53.6387 32.5955 175.5206 84 K 4.0682 8.1660 123.8002 56.4403 32.7645 176.1779 85 K 4.7094 8.4300 124.3658 54.8407 35.5812 175.3725 86 D 4.4705 8.3965 117.8805 53.7708 41.1951 174.8284 87 P 4.9201 0.0000 0.0000 61.5378 32.3068 176.4260 88 L 4.1672 8.2478 120.0389 54.2974 42.1426 176.9497 89 P 4.2780 0.0000 0.0000 65.5334 31.5484 177.2272 90 D 4.9782 7.9769 116.1467 53.9849 41.6689 178.1209 91 A 4.2762 8.3201 124.4318 55.6221 18.0837 179.7571 92 E 4.2451 8.1025 112.5110 58.1652 30.2077 178.2122 93 D 4.3799 7.9581 120.2535 56.9667 41.4487 177.7197 94 W 4.5377 8.0768 117.0353 56.1490 29.4078 175.6838 95 D 4.5951 7.6639 119.8965 55.2284 41.2067 176.1680 96 G 4.0136 9.3607 115.7902 45.1968 0.0000 173.7943 97 V 3.9509 7.0108 118.1597 62.2906 32.3037 175.2110 98 K 4.5991 8.5497 124.6169 56.0759 33.7198 176.3270 99 G 3.9586 8.6048 108.1168 46.4673 0.0000 175.7781 100 K 4.2780 8.5276 119.8028 57.6612 32.6489 178.7866 101 L 4.0060 8.4359 122.0514 58.1721 41.9653 179.1001 102 Q 3.9024 7.6669 114.5912 58.7721 28.4215 176.7571 103 H 4.6691 8.2152 114.1659 54.9922 29.0752 174.6832 104 L 4.1327 7.8626 123.3289 55.3251 42.2016 175.9528 105 E 4.6969 8.5979 125.9030 54.7217 31.4666 176.0895 106 R 4.7929 8.6332 121.5416 56.6781 30.2213 175.7701 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 8.12 4.51 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 2 F 8.88 4.62 0.00 2.94 3.09 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 3 V 9.02 4.53 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 1.11 0.00 0.00 0.99 0.00 0.00 4 V 8.91 4.63 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 0.79 0.00 0.00 1.02 0.00 0.00 5 T 8.67 4.08 3.76 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 1.32 0.00 0.00 6 D 7.74 4.16 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.04 4.63 0.00 2.77 2.88 0.00 0.00 6.90 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 8 C 8.06 4.36 0.00 3.15 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 9 I 8.03 4.24 1.99 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 0.97 1.01 0.91 0.00 0.00 10 K 8.87 3.84 0.00 1.54 1.23 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.93 0.85 7.81 11 C 7.53 4.47 0.00 3.21 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 12 K 8.42 3.62 0.00 1.89 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.34 7.81 *14 T 8.20 4.28 4.11 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 1.13 0.00 0.00 15 D 7.95 4.29 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.03 3.86 0.00 2.77 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 17 V 7.15 3.18 1.85 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 0.30 0.00 0.00 0.78 0.00 0.00 18 E 7.64 3.85 0.00 2.06 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 2.29 2.26 0.00 19 V 6.98 4.07 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 0.67 0.00 0.00 0.89 0.00 0.00 20 C 7.62 4.32 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 21 P 0.00 4.38 0.00 2.21 2.15 0.00 3.79 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 1.98 1.97 0.00 22 V 7.74 4.14 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 0.76 0.00 0.00 0.99 0.00 0.00 23 D 7.89 4.45 0.00 2.80 2.69 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 0.00 0.00 0.00 24 C 7.90 4.89 0.00 3.09 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 25 F 8.16 4.98 0.00 2.95 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 26 Y 9.32 5.11 0.00 3.15 3.12 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 27 E 9.60 4.56 0.00 1.88 1.77 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 2.04 2.13 0.00 28 G 8.13 2.30 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 0.00 29 P 0.00 4.42 0.00 1.99 2.08 0.00 3.65 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 30 N 7.73 4.94 0.00 2.96 2.88 0.00 0.00 6.37 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 31 F 7.84 5.26 0.00 3.08 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 32 L 7.55 5.35 0.00 1.47 1.66 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.99 4.60 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 0.90 0.00 0.00 1.23 0.00 0.00 34 I 8.58 4.40 1.89 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 -0.15 0.12 0.78 0.00 0.00 35 H 9.31 4.39 0.00 3.39 3.38 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.36 0.00 2.24 2.19 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 37 D 8.25 4.59 0.00 2.66 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 38 E 7.96 4.31 0.00 2.12 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 2.21 2.00 0.00 39 C 8.08 4.11 0.00 2.93 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 40 I 8.48 4.29 1.88 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 0.70 0.92 0.00 0.00 41 D 8.22 4.85 0.00 2.95 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 42 C 7.48 4.00 0.00 3.17 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 43 A 6.68 2.72 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 44 L 7.16 4.14 0.00 1.63 1.66 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 C 7.94 4.28 0.00 3.26 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 46 E 8.07 3.97 0.00 2.23 2.39 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 2.57 2.39 0.00 47 P 0.00 4.39 0.00 2.04 2.14 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 48 E 8.04 4.02 0.00 2.05 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 2.45 2.32 0.00 49 C 7.63 4.17 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 50 P 0.00 4.20 0.00 2.07 2.09 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 51 A 7.98 4.21 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 52 Q 7.44 3.16 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 53 A 7.72 4.50 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 54 I 7.24 5.41 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 1.18 0.00 0.00 55 F 8.50 4.90 0.00 2.85 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 56 S 8.31 2.84 0.00 3.20 3.47 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 57 E 8.55 3.86 0.00 2.21 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 2.29 2.30 0.00 58 D 7.95 4.49 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.84 4.43 0.00 2.04 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 2.26 2.19 0.00 60 V 7.29 3.08 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 0.70 0.00 0.00 1.02 0.00 0.00 61 P 0.00 4.17 0.00 2.09 1.82 0.00 3.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 62 E 8.92 3.91 0.00 1.96 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 2.37 2.24 0.00 63 D 8.00 4.72 0.00 2.80 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 64 M 8.37 5.30 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 65 Q 8.05 4.06 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.94 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 66 E 8.33 3.91 0.00 1.58 1.78 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 2.24 2.38 0.00 67 F 8.29 4.16 0.00 3.40 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 68 I 7.88 3.75 1.98 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 1.45 1.17 0.92 0.00 0.00 69 Q 7.99 3.99 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 70 L 7.88 3.91 0.00 1.90 1.78 0.62 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.58 4.37 0.00 3.04 3.05 0.00 0.00 6.88 8.47 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 72 A 7.49 3.87 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 73 E 8.09 3.92 0.00 1.84 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 2.49 2.39 0.00 74 L 7.82 3.54 0.00 1.26 0.13 0.53 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.47 3.91 1.11 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 0.00 0.00 76 E 7.60 3.94 0.00 2.04 1.92 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 2.17 2.39 0.00 77 V 7.38 4.21 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 0.65 0.00 0.00 0.69 0.00 0.00 78 W 7.82 5.17 0.00 3.58 3.21 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 0.00 0.00 0.00 79 P 0.00 4.75 0.00 2.17 2.25 0.00 3.94 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 2.17 1.95 0.00 80 N 8.90 4.45 0.00 2.85 2.76 0.00 0.00 6.77 7.94 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 81 I 8.21 4.59 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.97 0.00 0.00 82 T 8.72 4.50 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 1.18 0.00 0.00 83 E 7.71 4.67 0.00 1.88 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 0.00 2.15 2.20 0.00 84 K 8.17 4.07 0.00 1.85 1.65 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.38 7.81 85 K 8.43 4.71 0.00 1.78 1.72 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.32 7.81 86 D 8.40 4.47 0.00 2.67 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 87 P 0.00 4.92 0.00 2.05 1.99 0.00 3.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 88 L 8.25 4.17 0.00 1.85 1.58 0.85 1.16 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 89 P 0.00 4.28 0.00 2.07 2.15 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 90 D 7.98 4.98 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 91 A 8.32 4.28 1.45 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 0.00 0.00 92 E 8.10 4.25 0.00 2.15 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 0.00 2.29 2.40 0.00 93 D 7.96 4.38 0.00 2.87 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 0.00 0.00 0.00 0.00 94 W 8.08 4.54 0.00 3.39 3.27 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 0.00 95 D 7.66 4.60 0.00 2.85 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 96 G 9.36 4.01 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 0.00 0.00 0.00 97 V 7.01 3.95 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 0.98 0.00 0.00 0.86 0.00 0.00 98 K 8.55 4.60 0.00 1.80 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 99 G 8.60 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 0.00 100 K 8.53 4.28 0.00 2.05 1.92 0.00 1.98 0.00 0.00 2.27 0.00 0.00 3.29 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.84 1.74 7.81 101 L 8.44 4.01 0.00 2.03 1.73 0.61 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.67 3.90 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.70 0.00 0.00 0.00 0.00 0.00 2.50 1.97 0.00 103 H 8.22 4.67 0.00 3.05 3.16 0.00 5.86 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.86 4.13 0.00 1.51 1.59 0.81 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.60 4.70 0.00 1.97 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 2.26 2.20 0.00 106 R 8.63 4.79 0.00 1.88 1.91 0.00 3.29 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.