NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2253 8.3144 121.7893 55.6268 32.2099 174.6696 2 E 3.8352 8.5494 126.7774 54.3125 30.2475 175.9555 3 S 4.3876 8.8998 122.8066 57.9449 66.1423 174.6169 4 A 3.9841 8.6369 125.4554 55.4044 18.4034 179.8581 5 A 4.0766 7.9799 118.3423 55.4774 18.6171 179.4875 6 A 4.0202 8.2155 119.2080 55.2820 18.2883 179.7626 7 K 4.0448 8.3981 118.5283 59.5840 32.2266 178.8548 8 F 4.1115 8.3882 121.0920 61.1509 39.2441 177.0401 9 E 3.9571 8.2235 117.7434 59.5164 29.2421 178.8802 10 R 3.8289 7.8562 117.2754 59.7526 30.1600 178.0589 11 Q 4.0759 8.0043 116.1436 57.5715 28.9836 176.2462 12 H 4.6953 8.1163 113.5303 54.9519 30.6815 172.9862 13 M 4.6176 7.6388 119.7392 53.9147 33.9114 176.1974 14 D 4.6620 7.8956 117.1380 54.1936 42.3138 175.5047 15 S 4.3516 7.9300 117.7896 59.9010 63.6901 176.7778 16 G 3.8559 7.8721 110.5134 48.9807 0.0000 174.7094 17 N 3.9287 9.5347 113.4495 52.9182 36.4614 173.8364 18 S 4.0474 7.7926 115.6661 58.9244 63.4984 172.3336 19 A 4.2761 9.0417 135.0000 52.0385 16.9643 178.6367 20 S 4.1290 7.7026 112.5982 61.4191 63.1143 176.8005 21 S 4.0525 8.0567 114.8850 61.0674 62.1649 176.1281 22 S 4.8348 7.7706 113.3297 57.9942 63.2168 176.1497 23 S 4.1978 8.2584 118.6144 61.7118 62.4406 174.9218 24 N 4.9659 8.0157 116.2290 53.0961 38.7654 175.8397 25 Y 3.9856 7.9062 123.8407 61.1025 38.9407 177.3204 26 C 4.1041 8.4077 117.3951 59.9997 40.1058 175.7349 27 N 4.2158 8.1075 116.3431 56.4114 38.2441 176.8449 28 Q 3.9684 7.7727 119.1782 59.6046 29.3585 177.8339 29 M 3.8980 7.8824 118.3562 57.6215 33.0044 178.0665 30 M 4.2412 7.8847 121.1239 54.1164 28.3045 177.0006 *33 R 3.7156 7.5592 115.8327 59.4783 32.6629 177.8471 34 K 4.1120 7.6934 111.1979 58.4277 28.7763 174.4382 35 M 4.8722 8.2726 118.0765 54.9802 34.1384 176.8984 36 T 5.0665 7.8287 105.0012 60.0448 69.8568 173.5010 37 Q 4.1958 8.1443 121.9484 57.1806 29.2495 174.9555 38 G 4.0389 9.5379 117.4728 44.8799 0.0000 173.2713 39 K 3.9269 6.9654 116.7494 54.2411 35.9578 175.6508 40 C 4.8670 8.4840 116.6770 54.9387 38.7225 173.8797 41 K 4.0362 8.5340 128.0023 55.9428 32.0757 175.1018 42 P 4.5076 0.0000 0.0000 65.7848 31.8062 176.3119 43 V 5.0111 7.1528 114.1277 61.2029 35.0981 174.2721 44 N 4.4441 8.7459 120.8633 53.1639 42.8230 173.1952 45 T 4.9757 8.0350 121.1754 61.6259 71.9532 173.2787 46 F 4.7155 9.1598 123.4661 55.6537 42.2787 174.2737 47 V 4.3498 8.4661 123.8099 61.4616 32.4177 174.5576 48 H 4.9396 8.2504 125.8457 56.1981 29.1985 175.6074 49 E 4.4998 8.0876 118.4232 54.6448 31.3403 176.6101 50 S 4.2526 8.2956 115.3366 58.4083 64.5261 174.8017 51 L 3.9449 8.7887 126.3880 58.3416 41.6608 179.0869 52 A 3.9644 7.9576 120.0269 55.3012 18.2234 178.9023 53 D 4.3189 8.2181 116.2758 57.6290 41.2662 179.0958 54 V 3.7680 7.8505 118.3776 66.0484 31.5216 178.0991 55 K 3.9122 8.2595 117.9591 59.5183 31.9403 179.1093 56 A 4.0615 8.4369 120.9244 54.5562 18.1799 179.6207 57 V 3.6986 7.7561 117.3897 66.4354 31.3316 177.2095 58 C 3.7853 7.7599 115.1641 58.9869 39.9550 174.6464 59 S 4.5379 7.3938 113.0704 57.9069 62.5605 174.3592 60 Q 4.5199 7.9212 120.6952 54.8467 29.5338 175.2993 61 K 4.1493 8.6174 124.1770 57.1607 33.2017 177.4661 62 K 3.8432 8.6335 130.0078 56.6265 32.4619 176.1613 63 V 4.4798 8.4722 119.3123 60.1249 36.7531 174.2300 64 T 3.9121 8.2865 118.7518 63.8734 69.0838 175.4205 65 C 4.8107 8.3400 121.8502 55.8969 41.5275 175.2625 66 K 4.3362 8.6193 118.4720 57.3041 31.7150 177.1731 67 D 4.4248 8.4436 119.1031 54.0323 41.6199 176.0188 68 G 4.4871 7.6869 118.6357 45.6114 0.0000 172.6736 69 Q 4.4605 7.9124 118.9757 53.8246 30.3324 175.4411 70 T 3.7483 8.4592 119.7361 64.0435 68.8108 173.3480 71 N 4.8564 8.1118 130.3264 53.7372 41.2084 173.8962 72 C 5.1549 7.0742 114.4818 56.1029 42.5990 172.2745 73 Y 5.2038 9.0918 118.0654 56.4137 41.8545 174.0530 74 Q 5.2459 8.5713 124.9686 54.0232 30.9284 175.4900 75 S 4.5491 8.6712 121.1970 58.5654 63.3837 174.5556 76 K 4.0961 9.5249 124.8741 59.1333 32.2077 177.2053 77 S 4.9052 7.6404 111.1744 56.0412 65.4396 173.6817 78 T 4.1292 7.9876 111.6565 61.9850 69.3403 173.3912 79 M 4.9042 8.3184 121.0859 53.1852 35.8844 175.8579 80 R 4.3134 8.8125 121.5906 56.9806 31.5697 175.6712 81 I 4.9292 8.7095 115.7369 59.9067 41.9536 173.6628 82 T 5.0840 9.2067 119.4926 61.8788 71.9270 172.5301 83 D 5.2175 9.3909 125.8416 52.8312 43.6208 174.1452 84 C 5.7258 9.5087 123.5310 55.2466 42.6807 172.9014 85 R 5.1198 8.6228 123.9730 53.9851 33.0088 174.0371 86 E 3.7471 9.1225 128.3090 56.7273 30.1935 176.8870 87 T 4.1036 8.6553 117.9479 60.8249 70.3426 174.8964 88 G 3.6622 8.8064 110.2323 48.9427 0.0000 175.1341 89 S 4.2428 7.8333 114.2257 58.4722 63.4642 174.4444 90 S 4.0471 7.3444 115.9168 59.0225 62.6297 173.2209 91 K 4.5428 8.5092 127.7860 55.0524 34.8880 174.6770 92 Y 4.4008 8.6806 127.9894 57.4326 39.2616 173.2982 93 P 2.9940 0.0000 0.0000 62.4309 31.6763 176.7576 94 N 4.7635 7.8633 119.0634 52.1722 37.4261 173.7943 95 C 4.6123 8.2228 117.2234 56.4599 37.5995 173.3634 96 A 4.8862 8.1824 122.2180 51.2006 21.9006 174.8960 97 Y 5.0640 8.9716 119.7484 56.0468 41.6925 174.8765 98 K 4.6284 9.0647 123.3773 55.3336 34.5670 175.0226 99 T 4.9092 8.5675 123.4221 62.3513 70.5137 173.9665 100 T 4.5904 8.8045 122.8870 61.8592 72.0449 173.0310 101 Q 4.8567 8.8132 126.2006 55.1508 29.9412 175.2061 102 V 4.5941 8.2764 118.1063 60.2256 36.3865 174.7414 103 E 4.6634 8.6514 120.9691 56.1635 32.0006 174.5010 104 K 4.7653 8.3166 123.3397 54.6139 37.5177 175.2159 105 H 4.9703 8.9539 118.0287 55.6728 30.2657 175.0209 106 I 4.9710 9.1219 113.9732 59.2162 41.1072 174.4014 107 I 5.5011 8.0131 123.6928 58.9110 40.1612 175.0784 108 V 4.8531 8.3641 118.8263 59.3955 36.3875 174.0786 109 A 5.2754 8.8503 124.3466 50.1734 20.7945 175.9749 110 C 5.3398 8.7022 119.4196 55.6958 37.9542 172.9844 111 G 3.9703 9.0139 105.5219 47.1288 0.0000 174.4918 112 G 4.3264 8.7488 109.0448 44.3723 0.0000 172.0363 113 K 4.3081 8.1199 118.5854 53.5965 34.3894 174.3343 114 P 4.5278 0.0000 0.0000 62.0176 32.3341 175.3260 115 S 4.6625 8.1416 113.2985 57.9343 62.9285 173.5287 116 V 4.6215 8.4516 118.4411 58.7679 36.3638 172.9361 117 P 4.8788 0.0000 0.0000 63.5037 31.3850 176.5876 118 V 4.5307 9.3488 115.7316 61.1297 33.9274 175.1813 119 H 4.8256 8.0256 119.5033 54.9934 33.3916 171.6994 120 F 4.6992 8.6589 128.0392 57.2158 39.6748 174.5256 121 D 4.3885 8.4436 127.0345 55.5325 41.9441 175.8283 122 A 4.2090 6.3489 117.9022 52.4977 22.1940 174.0513 123 S 4.9974 8.3886 111.5688 56.6817 66.4876 174.4218 124 V 3.9342 8.1928 118.8143 62.7567 31.9205 171.0808 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 K 8.31 4.23 0.00 1.74 1.85 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.38 7.81 2 E 8.55 3.84 0.00 2.05 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 2.31 2.38 0.00 3 S 8.90 4.39 0.00 4.10 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 4 A 8.64 3.98 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 5 A 7.98 4.08 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 6 A 8.22 4.02 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 7 K 8.40 4.04 0.00 1.95 2.12 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.46 7.81 8 F 8.39 4.11 0.00 3.19 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 9 E 8.22 3.96 0.00 2.26 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 2.58 2.69 0.00 10 R 7.86 3.83 0.00 1.79 2.09 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 11 Q 8.00 4.08 0.00 1.82 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 12 H 8.12 4.70 0.00 1.97 2.79 0.00 5.62 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 13 M 7.64 4.62 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 14 D 7.90 4.66 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.35 0.00 3.94 3.90 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 16 G 7.87 3.86 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 0.00 0.00 0.00 17 N 9.53 3.93 0.00 3.01 3.30 0.00 0.00 6.66 7.52 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 18 S 7.79 4.05 0.00 3.84 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 19 A 9.04 4.28 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 20 S 7.70 4.13 0.00 4.01 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 21 S 8.06 4.05 0.00 3.83 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 22 S 7.77 4.83 0.00 4.03 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 23 S 8.26 4.20 0.00 3.87 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 0.00 24 N 8.02 4.97 0.00 2.77 2.78 0.00 0.00 6.81 7.48 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 25 Y 7.91 3.99 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 26 C 8.41 4.10 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 27 N 8.11 4.22 0.00 2.85 2.90 0.00 0.00 6.84 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 28 Q 7.77 3.97 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 29 M 7.88 3.90 0.00 1.00 1.17 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.85 0.00 30 M 7.88 4.24 0.00 1.26 1.51 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 1.34 2.44 0.00 *33 R 7.56 3.72 0.00 1.99 2.07 0.00 3.46 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 34 K 7.69 4.11 0.00 1.83 2.08 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.46 7.81 35 M 8.27 4.87 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 36 T 7.83 5.07 4.39 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 1.34 0.00 0.00 37 Q 8.14 4.20 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.79 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 38 G 9.54 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 0.00 0.00 0.00 39 K 6.97 3.93 0.00 1.70 1.61 0.00 1.42 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.30 7.81 40 C 8.48 4.87 0.00 3.27 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 41 K 8.53 4.04 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.41 7.81 42 P 0.00 4.51 0.00 2.14 2.29 0.00 3.72 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 43 V 7.15 5.01 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 0.80 0.00 0.00 0.95 0.00 0.00 44 N 8.75 4.44 0.00 2.76 2.45 0.00 0.00 7.09 6.74 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 45 T 8.04 4.98 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 1.07 0.00 0.00 46 F 9.16 4.72 0.00 2.98 2.87 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 47 V 8.47 4.35 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 0.88 0.00 0.00 1.02 0.00 0.00 48 H 8.25 4.94 0.00 3.04 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.09 4.50 0.00 1.98 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 0.00 2.29 2.25 0.00 50 S 8.30 4.25 0.00 4.05 4.07 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 51 L 8.79 3.94 0.00 1.79 1.74 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.96 3.96 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 53 D 8.22 4.32 0.00 2.78 2.77 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 0.00 0.00 0.00 54 V 7.85 3.77 2.24 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 1.09 0.00 0.00 0.98 0.00 0.00 55 K 8.26 3.91 0.00 2.11 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.57 7.81 56 A 8.44 4.06 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 57 V 7.76 3.70 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 0.92 0.00 0.00 1.01 0.00 0.00 58 C 7.76 3.79 0.00 2.87 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 59 S 7.39 4.54 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.92 4.52 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 61 K 8.62 4.15 0.00 1.91 1.72 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.51 7.81 62 K 8.63 3.84 0.00 1.76 1.56 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.10 0.52 7.81 63 V 8.47 4.48 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 0.66 0.00 0.00 0.83 0.00 0.00 64 T 8.29 3.91 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 1.17 0.00 0.00 65 C 8.34 4.81 0.00 2.96 3.20 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 66 K 8.62 4.34 0.00 1.85 1.89 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.73 7.81 67 D 8.44 4.42 0.00 2.59 2.45 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 68 G 7.69 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.46 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 70 T 8.46 3.75 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 1.11 0.00 0.00 71 N 8.11 4.86 0.00 2.80 2.76 0.00 0.00 7.13 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 72 C 7.07 5.15 0.00 3.01 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 73 Y 9.09 5.20 0.00 2.85 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 74 Q 8.57 5.25 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 75 S 8.67 4.55 0.00 4.18 3.90 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 76 K 9.52 4.10 0.00 1.75 1.90 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.40 7.81 77 S 7.64 4.91 0.00 3.99 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 78 T 7.99 4.13 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 0.92 0.00 0.00 79 M 8.32 4.90 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 80 R 8.81 4.31 0.00 1.80 1.92 0.00 3.10 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 81 I 8.71 4.93 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 1.05 0.00 0.00 82 T 9.21 5.08 4.55 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 1.51 0.00 0.00 83 D 9.39 5.22 0.00 2.80 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 84 C 9.51 5.73 0.00 3.10 3.22 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 85 R 8.62 5.12 0.00 1.84 1.73 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 86 E 9.12 3.75 0.00 1.54 1.65 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 0.00 2.16 2.08 0.00 87 T 8.66 4.10 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 1.26 0.00 0.00 88 G 8.81 3.66 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 0.00 0.00 0.00 89 S 7.83 4.24 0.00 3.99 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 90 S 7.34 4.05 0.00 4.01 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 91 K 8.51 4.54 0.00 1.88 1.60 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.39 7.81 92 Y 8.68 4.40 0.00 2.98 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 93 P 0.00 2.99 0.00 1.65 0.49 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 94 N 7.86 4.76 0.00 2.80 2.76 0.00 0.00 7.05 7.21 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 95 C 8.22 4.61 0.00 3.26 3.35 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 96 A 8.18 4.89 1.21 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 0.00 0.00 97 Y 8.97 5.06 0.00 2.79 2.92 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 98 K 9.06 4.63 0.00 1.84 1.70 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 99 T 8.57 4.91 4.34 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 1.39 0.00 0.00 100 T 8.80 4.59 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 1.24 0.00 0.00 101 Q 8.81 4.86 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 102 V 8.28 4.59 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 0.79 0.00 0.00 0.97 0.00 0.00 103 E 8.65 4.66 0.00 1.80 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 2.22 2.35 0.00 104 K 8.32 4.77 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.92 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 105 H 8.95 4.97 0.00 3.26 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.12 4.97 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.99 1.09 0.00 0.00 107 I 8.01 5.50 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.81 0.00 0.00 108 V 8.36 4.85 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 0.72 0.00 0.00 0.98 0.00 0.00 109 A 8.85 5.28 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 0.00 110 C 8.70 5.34 0.00 2.86 2.97 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 0.00 111 G 9.01 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 0.00 0.00 0.00 112 G 8.75 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 0.00 113 K 8.12 4.31 0.00 1.66 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.39 7.81 114 P 0.00 4.53 0.00 2.20 2.06 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 115 S 8.14 4.66 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 0.00 116 V 8.45 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 0.78 0.00 0.00 0.96 0.00 0.00 117 P 0.00 4.88 0.00 1.98 2.05 0.00 3.63 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 2.06 2.14 0.00 118 V 9.35 4.53 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 0.67 0.00 0.00 1.05 0.00 0.00 119 H 8.03 4.83 0.00 3.23 3.13 0.00 5.85 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 0.00 120 F 8.66 4.70 0.00 3.03 2.89 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 0.00 121 D 8.44 4.39 0.00 2.55 2.52 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 0.00 122 A 6.35 4.21 1.20 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 0.00 123 S 8.39 5.00 0.00 4.08 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 0.00 124 V 8.19 3.93 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 0.58 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.