NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3075 8.2649 123.5843 51.2899 20.7517 176.8599 3 R 4.6632 7.7156 114.5696 52.8498 31.8192 175.1929 4 T 4.1988 9.3922 116.2385 61.0113 71.8800 175.1901 5 A 3.9666 8.4828 123.0670 55.3737 18.2625 179.5517 6 E 3.8707 8.1386 117.1514 59.4117 29.7205 178.5171 7 E 3.9773 8.3508 118.7324 59.6625 29.5097 179.1745 8 Q 3.9500 8.4138 119.3865 59.1862 29.1100 178.2192 9 A 4.0047 8.2597 121.8459 55.2330 18.5043 179.3721 10 N 4.3063 8.4593 115.1877 56.5935 38.6367 176.9762 11 H 4.0604 8.5139 119.8669 59.6596 29.9268 177.1296 12 D 4.3510 8.4558 120.7251 56.8461 40.3372 178.4167 13 L 3.9750 7.7686 120.4241 58.3070 42.1849 179.0014 14 V 3.3951 7.2194 115.9942 65.9239 31.6779 177.7321 15 I 3.7943 7.6237 119.5826 63.9849 36.8913 178.9422 16 E 4.0822 8.1892 119.3254 56.4117 29.3180 177.9547 *18 Y 4.1231 7.8725 119.4743 57.1667 40.8667 176.7867 19 N 4.3833 8.3562 116.9585 56.3313 38.7630 177.5755 20 K 4.0698 8.1538 116.2766 58.3587 32.5620 178.5162 21 V 3.9133 7.4830 117.4416 65.0547 32.1669 176.9295 22 L 4.1365 7.6000 117.8787 57.5587 42.0352 178.4898 23 I 3.7738 7.9421 118.0267 64.1967 36.7660 176.8635 24 A 3.7858 7.0608 122.3869 53.7333 18.5812 176.8044 *26 D 4.3378 7.9423 122.9433 52.6729 41.8717 176.3564 27 S 4.2370 8.4751 123.3359 61.2479 62.7136 175.9237 28 S 4.2963 8.2873 115.9102 59.9407 63.2650 175.1176 29 A 4.4758 7.9494 124.0487 52.9449 19.2301 179.0294 30 V 3.6321 7.5481 117.4001 66.3740 31.4062 177.7100 31 D 4.5102 7.9963 115.8109 56.5844 40.7846 178.2369 32 R 3.8604 7.5614 117.6679 58.1100 30.0187 176.8038 33 Y 4.6093 7.8109 113.7645 57.3725 40.4611 175.4586 34 I 4.6352 7.6439 119.4854 59.0025 39.5905 175.6588 35 A 4.2761 8.9311 129.9739 50.9282 19.6028 174.9272 36 P 4.3005 0.0000 0.0000 63.9486 31.9076 176.9186 37 G 3.8385 9.0018 111.5484 45.5434 0.0000 172.9393 38 Y 4.4179 7.5227 116.9501 57.2767 38.8694 176.2630 39 V 3.8525 8.6427 121.9850 61.9192 32.8372 174.3463 40 Q 4.7475 8.3260 130.0821 55.4393 29.3905 174.7349 41 H 4.6680 8.8496 123.6639 56.0254 29.9037 175.9294 42 S 4.5258 8.5510 113.1262 57.5398 62.6646 174.5231 43 S 4.3354 8.7011 120.7415 60.5547 63.1178 175.0436 44 L 4.5040 7.7128 117.5072 55.3677 44.2475 177.0142 45 A 4.0394 8.0540 120.2826 51.4784 18.8960 177.0638 46 E 4.0619 8.2833 119.9995 56.0551 30.0120 175.6763 47 P 4.5040 0.0000 0.0000 63.1474 32.3260 175.7595 48 S 4.2040 7.3752 113.4754 55.7533 67.0946 174.8008 49 V 3.7618 8.4032 121.5750 66.3942 31.1950 177.7640 50 E 3.9426 8.1970 118.2159 59.2305 29.5520 178.3792 51 A 4.0155 8.0556 120.9279 54.9508 18.3199 179.3922 52 L 4.0000 8.4226 119.2314 58.2603 42.2400 179.1531 53 K 4.0339 8.5231 118.9903 59.5932 32.0020 179.4082 54 G 3.6768 8.4382 106.0481 47.7741 0.0000 175.3569 55 F 4.2255 8.4697 123.3500 61.0994 39.3524 177.2146 56 L 3.7120 8.3149 118.7708 57.7943 41.3815 179.2307 57 D 4.3058 8.2132 118.8303 57.3381 40.8397 179.1444 58 R 3.8336 8.0622 118.5659 59.2744 30.1189 179.3339 59 V 3.4438 7.5709 118.1392 65.8217 31.2251 177.9187 60 R 3.8027 7.8727 117.4390 59.4884 29.9819 178.1036 61 A 4.1079 7.7451 119.3886 55.1005 18.4052 179.1673 62 E 3.9602 7.9083 115.8713 56.9355 30.8556 176.9811 63 S 3.6174 7.7419 112.5645 58.4489 61.0417 169.8354 64 P 4.4658 0.0000 0.0000 63.0636 32.4050 177.0954 65 D 4.7726 8.4373 120.3136 52.9314 39.9330 174.4654 66 A 5.1509 7.9374 123.2402 49.7160 23.3500 175.1008 67 R 4.5930 8.9613 118.4901 55.2025 34.1077 173.7034 68 Q 5.0875 8.7448 124.4299 54.4611 31.6519 174.9055 69 T 4.4402 8.7737 120.9943 61.5230 71.8511 173.3895 70 I 4.1502 8.2104 128.1598 61.5549 37.1593 175.7769 71 H 4.6072 9.0456 124.8698 56.7641 29.9582 175.2350 72 R 4.4765 7.6861 112.5699 55.8217 31.9411 173.6057 73 S 4.9474 7.6607 113.0857 57.4912 65.9612 173.1401 74 F 5.2200 9.3079 119.4265 56.2233 43.8780 173.8392 75 V 5.0457 8.4652 119.1328 60.3310 34.6568 174.5431 76 D 4.7906 9.1486 123.1213 53.0097 43.7638 176.6748 77 G 3.8931 9.1545 120.3410 47.0952 0.0000 172.8810 78 D 4.7964 8.9960 125.1800 53.0189 39.8166 174.5667 79 H 5.5900 8.4325 117.9542 54.3265 31.8347 173.1880 80 V 5.0402 9.2911 122.6441 61.1980 34.7103 174.1172 81 I 5.4279 9.3168 128.1962 59.7866 40.4390 174.6039 82 T 5.1437 9.2103 116.2789 60.0970 72.5033 172.3578 83 H 5.5077 9.1765 123.0540 55.0375 32.6166 172.4055 84 T 5.0572 9.3108 122.2695 62.0058 73.0450 172.3805 85 H 5.3303 8.9455 125.1222 54.5893 32.0152 173.2223 86 V 4.6600 8.9595 126.6680 61.2433 33.6534 173.9185 87 E 4.8052 9.1990 127.9349 54.8047 31.3758 177.1087 88 R 4.2557 8.6212 123.6251 56.5179 31.4891 176.0215 89 W 5.3132 6.6437 112.3777 55.3146 30.5287 171.7906 90 P 4.5501 0.0000 0.0000 64.1628 31.0290 177.3637 91 G 4.0231 8.9546 111.3446 45.1761 0.0000 173.0271 92 D 4.2723 7.7792 119.7978 53.8928 41.3616 175.7198 93 A 4.0050 8.7398 130.1786 53.6377 18.8602 177.8880 94 G 3.7188 8.3334 102.0252 44.1277 0.0000 171.2966 95 L 5.3111 8.5810 117.4483 52.8661 45.3152 175.6254 96 A 5.4486 9.1371 124.7897 50.5178 21.2932 176.0459 97 V 4.8459 9.0392 122.2445 61.1163 35.2775 174.1618 98 V 4.9149 8.6668 127.7932 61.4152 33.6652 173.8591 99 D 5.4635 9.1163 127.6818 52.6321 43.7650 175.2601 100 I 5.0504 8.6588 123.2294 59.5731 40.4470 174.4509 101 F 5.5265 9.7962 125.7913 55.7405 42.2498 174.1195 102 R 5.0607 9.2849 123.8771 54.7413 32.1056 174.6940 103 V 4.7430 8.7190 126.7227 61.1381 33.4790 174.6283 104 E 4.5842 8.4749 127.3805 55.6688 32.5196 174.6708 105 G 3.8700 9.7030 114.1713 46.6334 0.0000 173.0219 106 G 3.5771 8.0369 101.9513 45.8394 0.0000 174.9883 *108 I 4.1204 7.1163 117.9404 61.5523 38.7763 177.0503 109 V 4.5041 8.6439 117.5550 61.2344 34.0263 174.9560 110 E 5.0630 7.9443 120.0358 55.4956 33.0648 173.0986 111 H 5.3086 8.6261 124.2537 54.6549 33.8987 172.0990 112 W 5.3891 9.3325 124.4892 55.1766 33.4039 173.7313 113 D 5.2377 8.3856 119.8386 52.4814 43.0562 173.8338 114 V 4.5716 8.7639 117.9223 61.2572 35.1417 173.9935 115 I 5.1102 8.4598 127.1111 59.6314 40.3511 174.5121 116 Q 4.6126 9.1214 127.6634 53.9703 32.6133 173.9931 117 D 4.8951 8.7867 125.6949 54.3003 41.7544 176.2317 118 V 3.7327 8.5842 124.1710 61.9891 32.0488 174.2450 119 P 4.2763 0.0000 0.0000 62.7214 31.8875 176.2215 120 A 4.1445 8.8792 126.4298 55.0253 18.8561 177.8859 121 N 4.9652 7.6820 112.3878 50.9771 38.0980 172.4907 122 P 4.4417 0.0000 0.0000 62.3779 32.8536 177.9132 123 V 3.7007 8.3122 120.9648 65.6092 31.8621 176.2453 124 N 4.5123 7.9291 118.3282 52.5247 39.1972 173.0007 125 P 4.4025 0.0000 0.0000 64.8754 31.9680 176.3736 126 N 4.7690 8.4137 117.1467 52.4203 40.2702 176.6299 127 S 4.5809 7.9456 119.5694 57.7929 61.8595 174.1116 *129 F 4.4499 8.6938 117.1264 57.4612 39.0316 174.3688 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 A 8.26 4.31 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 3 R 7.72 4.66 0.00 1.88 1.87 0.00 3.29 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 4 T 9.39 4.20 4.26 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 0.00 0.00 0.00 1.23 0.00 0.00 5 A 8.48 3.97 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 6 E 8.14 3.87 0.00 2.06 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 0.00 2.41 2.43 0.00 7 E 8.35 3.98 0.00 2.32 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 2.59 2.36 0.00 8 Q 8.41 3.95 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 9 A 8.26 4.00 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 10 N 8.46 4.31 0.00 2.94 2.93 0.00 0.00 6.66 8.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.51 4.06 0.00 3.21 3.53 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 12 D 8.46 4.35 0.00 2.78 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 13 L 7.77 3.97 0.00 1.82 1.94 1.04 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 14 V 7.22 3.40 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 0.18 0.00 0.00 0.76 0.00 0.00 15 I 7.62 3.79 1.74 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.47 0.82 0.00 0.00 16 E 8.19 4.08 0.00 2.06 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 2.24 2.29 0.00 *18 Y 7.87 4.12 0.00 3.09 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 19 N 8.36 4.38 0.00 2.75 2.82 0.00 0.00 7.09 6.45 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 20 K 8.15 4.07 0.00 1.71 1.91 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 21 V 7.48 3.91 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 0.77 0.00 0.00 0.97 0.00 0.00 22 L 7.60 4.14 0.00 1.31 1.53 0.12 0.73 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 23 I 7.94 3.77 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.92 0.00 0.00 24 A 7.06 3.79 1.29 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 0.00 0.00 0.00 *26 D 7.94 4.34 0.00 2.71 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 27 S 8.48 4.24 0.00 4.10 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 0.00 28 S 8.29 4.30 0.00 4.07 4.04 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 29 A 7.95 4.48 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 30 V 7.55 3.63 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 1.06 0.00 0.00 0.97 0.00 0.00 31 D 8.00 4.51 0.00 2.66 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 32 R 7.56 3.86 0.00 1.00 1.12 0.00 2.90 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 33 Y 7.81 4.61 0.00 2.89 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 34 I 7.64 4.64 1.82 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.45 0.00 0.00 35 A 8.93 4.28 1.29 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 0.00 0.00 0.00 36 P 0.00 4.30 0.00 1.97 2.04 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 37 G 9.00 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 0.00 0.00 0.00 38 Y 7.52 4.42 0.00 2.96 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 39 V 8.64 3.85 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 0.58 0.00 0.00 0.85 0.00 0.00 40 Q 8.33 4.75 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 41 H 8.85 4.67 0.00 2.96 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.55 4.53 0.00 4.04 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 43 S 8.70 4.34 0.00 4.03 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 44 L 7.71 4.50 0.00 1.59 1.65 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.05 4.04 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 46 E 8.28 4.06 0.00 1.97 1.90 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 1.95 2.31 0.00 47 P 0.00 4.50 0.00 2.02 2.05 0.00 3.72 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 1.85 1.87 0.00 48 S 7.38 4.20 0.00 3.92 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 49 V 8.40 3.76 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 1.21 0.00 0.00 1.13 0.00 0.00 50 E 8.20 3.94 0.00 2.13 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 2.39 2.45 0.00 51 A 8.06 4.02 1.41 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 0.00 0.00 52 L 8.42 4.00 0.00 1.96 2.01 1.02 0.76 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 53 K 8.52 4.03 0.00 2.01 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.70 7.81 54 G 8.44 3.68 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 0.00 0.00 0.00 55 F 8.47 4.23 0.00 3.27 3.32 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 56 L 8.31 3.71 0.00 1.72 1.66 0.95 1.46 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 57 D 8.21 4.31 0.00 2.89 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 58 R 8.06 3.83 0.00 1.91 1.94 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 59 V 7.57 3.44 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 0.84 0.00 0.00 0.30 0.00 0.00 60 R 7.87 3.80 0.00 1.85 1.89 0.00 3.30 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 1.61 1.62 0.00 61 A 7.75 4.11 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 62 E 7.91 3.96 0.00 2.08 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 2.34 2.43 0.00 63 S 7.74 3.62 0.00 3.93 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 64 P 0.00 4.47 0.00 2.28 2.09 0.00 3.82 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 1.96 0.00 65 D 8.44 4.77 0.00 2.86 2.66 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 0.00 0.00 0.00 0.00 66 A 7.94 5.15 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 67 R 8.96 4.59 0.00 1.78 1.76 0.00 2.98 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.57 0.00 68 Q 8.74 5.09 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 69 T 8.77 4.44 4.10 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 0.98 0.00 0.00 70 I 8.21 4.15 1.65 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.05 0.76 0.00 0.00 71 H 9.05 4.61 0.00 3.04 3.37 0.00 5.69 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 72 R 7.69 4.48 0.00 1.52 1.96 0.00 3.28 0.00 0.00 3.81 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 73 S 7.66 4.95 0.00 3.85 3.70 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 74 F 9.31 5.22 0.00 3.03 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 75 V 8.47 5.05 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 0.79 0.00 0.00 1.07 0.00 0.00 76 D 9.15 4.79 0.00 2.73 2.58 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 77 G 9.15 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 78 D 9.00 4.80 0.00 3.09 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 79 H 8.43 5.59 0.00 3.19 3.30 0.00 5.75 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 80 V 9.29 5.04 2.25 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 1.02 0.00 0.00 1.01 0.00 0.00 81 I 9.32 5.43 2.15 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 1.34 0.68 1.12 0.00 0.00 82 T 9.21 5.14 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 1.31 0.00 0.00 83 H 9.18 5.51 0.00 3.31 3.40 0.00 5.54 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 9.31 5.06 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 1.20 0.00 0.00 85 H 8.95 5.33 0.00 1.80 2.76 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.96 4.66 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 0.94 0.00 0.00 1.02 0.00 0.00 87 E 9.20 4.81 0.00 1.71 1.61 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 2.13 1.80 0.00 88 R 8.62 4.26 0.00 0.67 1.96 0.00 3.17 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 89 W 6.64 5.31 0.00 3.44 3.29 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 0.00 90 P 0.00 4.55 0.00 2.16 2.10 0.00 3.88 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.32 0.00 91 G 8.95 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 0.00 0.00 0.00 92 D 7.78 4.27 0.00 1.58 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 0.00 0.00 0.00 93 A 8.74 4.01 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 94 G 8.33 3.72 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 0.00 0.00 0.00 95 L 8.58 5.31 0.00 1.58 1.59 0.94 1.02 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 96 A 9.14 5.45 1.13 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 97 V 9.04 4.85 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 1.26 0.00 0.00 1.03 0.00 0.00 98 V 8.67 4.91 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 0.99 0.00 0.00 0.94 0.00 0.00 99 D 9.12 5.46 0.00 2.81 2.05 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 I 8.66 5.05 1.96 0.00 0.00 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 1.21 0.83 0.90 0.00 0.00 101 F 9.80 5.53 0.00 3.04 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 0.00 102 R 9.28 5.06 0.00 2.20 1.92 0.00 3.14 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.00 103 V 8.72 4.74 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 0.85 0.00 0.00 0.99 0.00 0.00 104 E 8.47 4.58 0.00 1.94 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 2.21 2.32 0.00 105 G 9.70 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.04 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 *108 I 7.12 4.12 1.91 0.00 0.00 0.64 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 0.61 1.04 0.00 0.00 109 V 8.64 4.50 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 0.73 0.00 0.00 1.06 0.00 0.00 110 E 7.94 5.06 0.00 1.92 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 1.47 1.95 0.00 111 H 8.63 5.31 0.00 3.16 3.02 0.00 5.58 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 0.00 112 W 9.33 5.39 0.00 3.03 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 0.00 113 D 8.39 5.24 0.00 2.87 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 0.00 114 V 8.76 4.57 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 0.97 0.00 0.00 0.93 0.00 0.00 115 I 8.46 5.11 1.90 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 1.29 0.83 0.95 0.00 0.00 116 Q 9.12 4.61 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 117 D 8.79 4.90 0.00 2.62 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 0.00 118 V 8.58 3.73 2.33 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 0.74 0.00 0.00 1.01 0.00 0.00 119 P 0.00 4.28 0.00 2.07 1.98 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 120 A 8.88 4.14 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 0.00 121 N 7.68 4.97 0.00 2.70 2.77 0.00 0.00 6.92 8.02 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 0.00 122 P 0.00 4.44 0.00 2.33 2.04 0.00 3.77 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 1.98 1.95 0.00 123 V 8.31 3.70 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 0.77 0.00 0.00 0.93 0.00 0.00 124 N 7.93 4.51 0.00 2.70 2.68 0.00 0.00 6.99 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 0.00 125 P 0.00 4.40 0.00 2.22 2.16 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 126 N 8.41 4.77 0.00 2.81 2.77 0.00 0.00 6.92 7.22 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 0.00 127 S 7.95 4.58 0.00 3.86 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 *129 F 8.69 4.45 0.00 3.00 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 * Residues marked with a * may have inaccurate shift predictions.