NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.0673 8.4444 120.2300 56.2010 30.4284 176.9648 *6 D 4.4511 8.3985 123.8374 54.7253 42.0991 176.1665 7 W 4.0027 8.8626 127.6347 60.0120 29.0835 177.9556 8 D 4.7149 8.5441 120.6823 56.9549 40.3076 178.8599 9 K 4.3817 8.1766 121.6571 57.8316 32.5915 180.5121 10 T 4.5263 7.7202 113.4293 64.7982 69.5567 175.8035 11 V 3.9957 8.4655 118.1515 62.5162 33.0616 175.0075 12 G 4.2451 7.9749 105.0855 42.6932 0.0000 172.7590 13 A 4.3036 8.3761 121.8863 51.3762 20.3664 178.6737 14 A 3.9653 8.5003 124.4975 55.4979 18.7025 180.4165 15 E 3.9358 8.1405 116.5653 59.3859 29.5447 179.3054 16 D 4.3288 7.9938 118.6446 57.4093 41.0668 178.6838 17 V 3.6561 8.1357 119.1244 65.9446 31.5206 177.8750 18 R 3.9039 8.3046 118.7148 59.6224 29.6996 178.5135 19 R 4.0423 7.8305 117.0727 59.2983 30.3199 178.3599 20 I 3.9059 8.0601 119.7630 64.3726 37.0596 177.7661 21 F 4.0819 8.4221 121.6171 61.7234 38.9800 176.7225 22 E 3.9893 8.6235 118.4690 59.0218 29.1548 177.5138 23 H 4.8385 7.9267 112.9018 54.1970 29.8139 175.0865 24 I 3.6731 6.8507 123.1156 61.2089 37.7844 175.5115 25 P 4.5484 0.0000 0.0000 60.4355 29.8851 174.9903 26 A 4.3759 6.8906 119.9218 51.8228 22.3582 176.1505 27 I 4.1166 7.6554 121.5141 60.9210 38.0901 175.3332 28 L 5.2576 8.6479 126.5222 52.9271 45.6370 175.8187 29 V 4.7429 8.7817 121.8092 61.3069 35.4739 173.7813 30 G 4.5232 9.5075 114.5385 44.4274 0.0000 171.8902 31 L 5.5137 9.1834 123.4944 52.5715 46.2357 175.2927 32 E 4.8316 8.8322 118.7777 55.6978 33.1225 176.6419 33 G 4.1403 9.4287 109.5286 44.3190 0.0000 172.5949 34 P 3.0265 0.0000 0.0000 64.2279 31.2543 176.8227 35 D 4.4677 7.5931 117.2495 53.3918 41.8587 175.8154 36 H 3.9033 7.5818 116.1088 56.9472 26.6691 174.8887 37 R 4.6087 7.8332 118.5824 55.7951 31.8900 178.3111 38 F 4.2990 9.1413 122.7725 58.0833 39.3486 176.0021 39 V 4.5011 8.7294 121.7540 62.8715 34.0013 175.4494 40 A 4.5542 7.8071 118.9372 51.2000 22.3132 175.6575 41 V 5.1377 8.8839 115.0365 59.9877 36.1237 174.2953 42 N 5.2094 8.9272 121.9259 50.6152 40.0057 175.4940 43 A 3.9876 8.4769 119.2403 55.2280 18.3203 179.6902 44 A 3.9208 7.9076 118.8022 55.3994 18.5810 178.8878 45 Y 3.7634 8.2112 117.9920 61.1370 39.0437 178.8404 46 R 4.3898 8.5616 118.8476 58.9972 29.8512 179.3452 47 G 3.7218 8.1349 105.6011 47.6357 0.0000 175.2270 48 F 4.6348 7.9043 121.2408 59.0351 39.9847 175.2426 49 S 4.1199 7.7804 112.8259 56.5491 63.3202 171.4512 50 P 4.8249 0.0000 0.0000 62.1206 31.1408 176.7505 51 L 4.4481 7.6217 119.7222 53.6090 41.7666 175.6468 52 L 4.8620 8.0098 127.5151 54.7422 44.4985 175.4800 53 D 4.3529 8.5340 113.9092 57.1938 37.8888 173.6031 54 T 4.3145 7.2701 111.3250 61.8793 69.8528 173.8370 55 V 3.7360 7.6090 120.7017 64.5980 32.0107 174.2077 56 G 4.1935 9.1412 114.6794 45.9924 0.0000 174.4232 57 Q 4.3048 7.6968 116.8299 54.4843 29.6983 173.7607 58 P 4.7101 0.0000 0.0000 62.2433 32.2789 176.8578 59 A 4.4611 8.8587 128.3606 56.6175 18.1083 181.0416 60 R 3.8027 7.9017 117.9930 60.0780 29.3233 179.4927 61 E 4.4556 8.1767 115.9123 58.2572 30.0016 177.4931 62 V 4.0150 8.0046 111.1930 61.2996 33.5414 175.7084 63 Y 5.0353 7.5542 115.1059 56.3279 37.8877 174.6218 64 P 4.6948 0.0000 0.0000 64.7406 32.3844 178.3841 65 E 4.0697 8.5534 119.4115 58.8254 29.5490 177.3129 66 L 4.7908 7.3187 116.7796 52.8097 43.3597 181.5602 67 E 4.6459 9.5247 117.6549 57.4882 32.0743 175.6247 68 G 4.2688 9.2981 114.5556 45.5169 0.0000 173.0998 69 Q 4.3573 8.1097 119.0687 55.6005 29.3100 173.4060 70 Q 4.6780 8.5909 121.8511 55.7667 29.7109 177.2662 71 I 4.0277 7.8430 119.8072 64.1868 38.4193 177.4388 72 Y 4.2677 7.6234 117.4980 61.0778 38.0921 176.9132 73 E 4.3893 8.0143 120.3306 56.7186 30.1107 178.2385 *75 L 4.2662 8.0540 118.6420 54.4765 43.8924 178.9779 76 D 4.5211 8.3313 118.3159 57.5928 40.6559 178.9379 77 R 3.8931 8.0065 118.7961 59.4469 30.0568 178.7469 78 V 3.7491 7.8082 117.6604 65.9850 31.3932 177.2885 79 Y 3.9871 8.0916 118.4026 60.8327 38.8151 177.6744 80 Q 4.1401 8.8645 118.2114 58.7938 29.0232 178.0413 81 T 4.4078 8.1226 108.0987 60.7543 69.8924 175.7928 82 G 3.8394 7.9632 108.8595 45.6290 0.0000 173.2172 83 E 4.1815 8.0004 120.2149 54.9564 29.7541 175.0961 84 P 4.6296 0.0000 0.0000 62.9413 32.3269 175.6068 85 Q 4.6658 9.2094 123.5544 54.4534 32.5161 174.0092 86 S 4.8698 8.7613 120.8958 56.5368 66.0916 173.5251 87 G 3.0454 6.7356 109.8406 43.8226 0.0000 171.7796 88 S 4.9243 8.4086 115.3836 56.1951 64.6977 173.8699 89 E 3.9810 9.2334 128.9286 57.3377 27.1339 175.0482 90 W 4.8375 9.0605 122.0925 56.6329 30.9222 178.9823 91 R 4.6725 8.7471 127.6443 57.1058 30.0708 174.0646 92 L 4.5041 8.1968 126.3498 54.3296 44.5348 175.4171 93 Q 4.8092 8.6375 125.7545 53.3476 29.5895 173.2934 *102 E 4.2525 8.2374 116.4316 55.0147 31.0736 172.4374 103 E 4.6115 8.6269 117.0630 56.5671 31.5307 175.6705 104 R 4.7801 8.1996 124.9006 54.4557 34.5397 174.4663 105 Y 5.2150 8.3184 117.1139 56.3855 41.9013 174.8949 106 F 5.4478 9.3664 121.4751 55.9868 43.1568 174.0180 107 D 5.3249 9.0781 123.1910 53.6769 43.0427 175.3805 108 F 5.3780 7.6969 113.8844 56.0968 41.9769 173.1422 109 V 4.8080 8.5250 118.9392 59.9908 34.5754 174.2915 110 V 4.9883 9.4508 125.2746 61.2757 33.8280 174.4201 111 T 5.1156 8.5965 117.6335 58.9978 72.1737 171.7238 112 P 4.9455 0.0000 0.0000 62.6552 33.0566 175.2847 113 R 4.6039 8.7328 120.9296 54.7915 32.4775 174.3809 114 R 5.1080 8.5611 125.1127 54.5535 32.5919 176.6743 115 R 4.2560 9.1025 122.0538 55.2469 31.1093 177.6463 116 A 4.0772 8.4794 121.5215 55.2199 18.3002 178.1893 117 D 4.5069 8.0366 112.9916 53.7759 39.8509 177.3053 118 G 3.9340 8.2367 109.2125 45.3189 0.0000 173.9742 119 S 4.4689 8.4128 114.9662 57.2503 64.3995 173.1959 120 I 4.4640 7.8725 122.5329 60.5502 37.9939 175.2740 121 E 4.3058 9.0475 126.8325 57.7158 31.4811 175.3902 122 G 4.1042 7.2722 103.6487 46.8131 0.0000 172.3913 123 V 5.2632 7.7933 112.9212 60.1231 36.9528 174.2955 124 Q 5.0056 8.8490 118.6632 54.9585 32.5084 173.7793 125 L 5.7481 9.0389 119.1612 52.0120 46.7369 175.1319 126 I 4.9053 8.3560 121.5743 59.2743 40.3364 174.2510 127 V 4.9279 8.7160 128.7093 61.1395 35.0507 173.6265 128 D 5.0199 9.2759 125.3967 52.4676 44.3329 173.8001 129 D 4.6387 9.0514 126.4015 53.5404 41.9691 175.9863 130 V 4.4316 8.4849 120.5543 61.2905 32.7454 178.2295 131 T 3.9846 8.2160 120.2649 67.0082 68.0095 176.4006 132 S 4.3265 7.8905 113.9712 60.9306 63.2588 175.9563 133 R 4.0015 7.4758 121.7142 59.2245 29.9885 178.3900 134 V 3.6642 7.4748 111.7534 63.9793 31.5937 178.0796 135 R 3.9642 8.1630 117.0770 58.0940 29.9137 176.5999 136 A 4.7374 7.2886 119.6880 52.1657 21.3926 177.6862 137 R 4.3133 7.8359 125.1154 56.6642 29.7590 176.1714 138 Q 4.2343 8.1018 119.6009 54.4793 28.2972 175.8032 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 4 E 8.44 4.07 0.00 2.02 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 2.25 2.33 0.00 *6 D 8.40 4.45 0.00 2.78 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 7 W 8.86 4.00 0.00 3.38 3.33 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 8 D 8.54 4.71 0.00 2.69 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 9 K 8.18 4.38 0.00 1.85 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.08 7.81 10 T 7.72 4.53 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 1.08 0.00 0.00 11 V 8.47 4.00 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 0.49 0.00 0.00 1.02 0.00 0.00 12 G 7.97 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 0.00 0.00 0.00 0.00 13 A 8.38 4.30 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 14 A 8.50 3.97 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 15 E 8.14 3.94 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 2.41 2.40 0.00 16 D 7.99 4.33 0.00 2.98 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 17 V 8.14 3.66 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 1.07 0.00 0.00 1.07 0.00 0.00 18 R 8.30 3.90 0.00 1.90 2.09 0.00 3.17 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 1.70 1.69 0.00 19 R 7.83 4.04 0.00 2.05 2.17 0.00 3.35 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 20 I 8.06 3.91 2.10 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 1.70 0.84 0.97 0.00 0.00 21 F 8.42 4.08 0.00 3.21 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 22 E 8.62 3.99 0.00 2.41 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 0.00 2.42 2.55 0.00 23 H 7.93 4.84 0.00 3.25 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 6.85 3.67 1.69 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.86 0.00 0.00 25 P 0.00 4.55 0.00 2.17 2.09 0.00 3.79 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 1.96 0.00 26 A 6.89 4.38 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 27 I 7.66 4.12 1.97 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 1.14 0.60 0.69 0.00 0.00 28 L 8.65 5.26 0.00 1.17 1.40 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.78 4.74 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 0.91 0.00 0.00 0.75 0.00 0.00 30 G 9.51 4.52 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 0.00 31 L 9.18 5.51 0.00 1.45 1.38 0.72 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.83 4.83 0.00 2.02 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 2.16 2.25 0.00 33 G 9.43 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 0.00 0.00 0.00 0.00 34 P 0.00 3.03 0.00 1.99 2.04 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 35 D 7.59 4.47 0.00 2.54 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 36 H 7.58 3.90 0.00 3.21 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.83 4.61 0.00 1.75 1.98 0.00 3.27 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.00 38 F 9.14 4.30 0.00 3.11 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 39 V 8.73 4.50 2.17 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 0.71 0.00 0.00 0.99 0.00 0.00 40 A 7.81 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.88 5.14 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 0.45 0.00 0.00 0.97 0.00 0.00 42 N 8.93 5.21 0.00 2.66 2.25 0.00 0.00 6.62 7.01 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 43 A 8.48 3.99 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 44 A 7.91 3.92 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 45 Y 8.21 3.76 0.00 3.24 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 46 R 8.56 4.39 0.00 1.98 2.04 0.00 3.24 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.01 0.00 47 G 8.13 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 48 F 7.90 4.63 0.00 3.06 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 49 S 7.78 4.12 0.00 3.41 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 50 P 0.00 4.82 0.00 2.06 2.03 0.00 3.68 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 51 L 7.62 4.45 0.00 1.61 1.53 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.01 4.86 0.00 1.60 1.59 0.94 1.21 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 53 D 8.53 4.35 0.00 2.75 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 54 T 7.27 4.31 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 1.08 0.00 0.00 55 V 7.61 3.74 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 0.90 0.00 0.00 0.96 0.00 0.00 56 G 9.14 4.19 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 0.00 57 Q 7.70 4.30 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 58 P 0.00 4.71 0.00 2.15 2.04 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 59 A 8.86 4.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 7.90 3.80 0.00 1.92 1.89 0.00 3.15 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.14 0.00 61 E 8.18 4.46 0.00 1.92 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 0.00 2.25 2.31 0.00 62 V 8.00 4.02 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 0.89 0.00 0.00 -0.09 0.00 0.00 63 Y 7.55 5.04 0.00 3.26 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 64 P 0.00 4.69 0.00 2.08 2.13 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 2.04 2.34 0.00 65 E 8.55 4.07 0.00 2.05 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 0.00 2.36 2.36 0.00 66 L 7.32 4.79 0.00 1.69 1.43 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 E 9.52 4.65 0.00 2.05 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 2.30 2.41 0.00 68 G 9.30 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 0.00 0.00 0.00 0.00 69 Q 8.11 4.36 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.63 7.35 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 70 Q 8.59 4.68 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.08 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 71 I 7.84 4.03 1.84 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 1.02 0.69 0.72 0.00 0.00 72 Y 7.62 4.27 0.00 3.16 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 73 E 8.01 4.39 0.00 2.14 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 2.37 2.49 0.00 *75 L 8.05 4.27 0.00 1.82 1.32 0.77 0.92 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 76 D 8.33 4.52 0.00 2.99 2.82 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 77 R 8.01 3.89 0.00 1.98 2.14 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 78 V 7.81 3.75 2.27 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 1.02 0.00 0.00 1.02 0.00 0.00 79 Y 8.09 3.99 0.00 3.15 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 80 Q 8.86 4.14 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.55 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 81 T 8.12 4.41 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 1.27 0.00 0.00 82 G 7.96 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 83 E 8.00 4.18 0.00 2.02 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 2.35 2.29 0.00 84 P 0.00 4.63 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 85 Q 9.21 4.67 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 86 S 8.76 4.87 0.00 3.62 3.48 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 87 G 6.74 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 0.00 0.00 0.00 88 S 8.41 4.92 0.00 3.84 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 89 E 9.23 3.98 0.00 2.30 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 0.00 2.29 2.40 0.00 90 W 9.06 4.84 0.00 3.51 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 91 R 8.75 4.67 0.00 1.60 1.71 0.00 3.15 0.00 0.00 3.92 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.00 92 L 8.20 4.50 0.00 1.27 1.53 0.92 0.73 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 93 Q 8.64 4.81 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.48 0.00 0.00 0.00 0.00 0.00 2.26 1.88 0.00 *102 E 8.24 4.25 0.00 1.91 1.95 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 2.21 1.88 0.00 103 E 8.63 4.61 0.00 1.83 1.83 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 2.03 2.20 0.00 104 R 8.20 4.78 0.00 1.83 1.44 0.00 3.17 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 105 Y 8.32 5.21 0.00 2.84 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 0.00 106 F 9.37 5.45 0.00 3.12 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 0.00 107 D 9.08 5.32 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.70 5.38 0.00 3.01 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 0.00 109 V 8.52 4.81 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 0.68 0.00 0.00 0.93 0.00 0.00 110 V 9.45 4.99 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 1.07 0.00 0.00 0.98 0.00 0.00 111 T 8.60 5.12 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 1.22 0.00 0.00 112 P 0.00 4.95 0.00 2.08 2.08 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.21 0.00 113 R 8.73 4.60 0.00 1.92 1.82 0.00 3.12 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 114 R 8.56 5.11 0.00 1.73 1.81 0.00 3.25 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 115 R 9.10 4.26 0.00 2.02 1.88 0.00 3.12 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 116 A 8.48 4.08 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 0.00 117 D 8.04 4.51 0.00 2.80 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 0.00 118 G 8.24 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 0.00 119 S 8.41 4.47 0.00 3.95 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 0.00 120 I 7.87 4.46 1.43 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.45 0.67 0.00 0.00 121 E 9.05 4.31 0.00 2.02 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 0.00 2.27 2.28 0.00 122 G 7.27 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 0.00 0.00 0.00 0.00 123 V 7.79 5.26 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 0.83 0.00 0.00 0.94 0.00 0.00 124 Q 8.85 5.01 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 125 L 9.04 5.75 0.00 1.54 1.51 0.83 0.31 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 0.00 126 I 8.36 4.91 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 1.24 1.63 0.92 0.00 0.00 127 V 8.72 4.93 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 0.84 0.00 0.00 0.78 0.00 0.00 128 D 9.28 5.02 0.00 2.79 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.05 4.64 0.00 2.97 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 0.00 130 V 8.48 4.43 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 0.81 0.00 0.00 1.06 0.00 0.00 131 T 8.22 3.98 4.21 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 1.28 0.00 0.00 132 S 7.89 4.33 0.00 4.01 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 0.00 133 R 7.48 4.00 0.00 1.81 2.11 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 134 V 7.47 3.66 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 0.42 0.00 0.00 0.16 0.00 0.00 135 R 8.16 3.96 0.00 1.99 1.94 0.00 3.27 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 136 A 7.29 4.74 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 0.00 137 R 7.84 4.31 0.00 1.94 1.78 0.00 3.14 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 138 Q 8.10 4.23 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.42 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.