NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8834 8.0544 120.3874 62.4743 32.1916 174.0122 2 H 3.8230 8.9699 127.8668 55.6871 29.4515 172.3491 3 L 4.7040 7.8166 128.5869 52.3382 45.8869 176.3284 4 T 4.1302 9.3184 117.4472 60.7902 70.8946 173.7652 5 P 4.5114 0.0000 0.0000 65.5116 31.4898 178.5529 6 E 3.8816 8.0296 118.3169 59.3849 29.4222 178.7332 7 E 3.8811 8.9365 119.5378 59.3538 29.5499 179.4074 8 K 3.8170 8.3596 120.1000 59.5372 32.1729 178.9809 9 S 4.1260 8.4585 114.7736 61.1084 63.0262 176.3644 10 A 3.9628 7.8949 124.1601 54.8413 18.2745 179.5676 11 V 3.4085 7.8936 117.0124 66.6301 31.3275 178.3908 12 T 3.9500 7.8357 113.6248 67.0032 68.6619 175.7008 13 A 3.9204 8.9052 122.6332 56.1793 18.2760 179.2007 14 L 3.8053 8.4990 116.8764 57.8103 42.3272 179.5750 15 W 4.4320 8.5652 127.9652 60.3153 30.3564 177.9505 16 G 3.8188 7.9912 104.7425 47.5344 0.0000 174.7808 17 K 4.4004 7.8932 117.5743 55.5473 32.6589 176.9349 18 V 3.6653 7.0626 120.8700 62.2320 31.9923 176.3791 19 N 4.5365 8.2401 125.8736 52.2356 37.6818 175.2072 20 V 3.5958 7.9790 120.4678 64.2133 31.6466 177.4026 21 D 4.3694 8.2112 117.0791 56.2803 40.8483 176.9673 22 E 4.3672 8.2928 118.7036 57.9701 30.9195 177.7427 23 V 3.5168 7.6766 117.7573 65.9281 31.2983 178.0064 24 G 3.6821 7.8459 105.4423 47.8871 0.0000 175.9875 25 G 3.5880 7.9906 108.2776 47.3140 0.0000 175.4455 26 E 3.9180 8.2631 120.6852 59.0130 29.5066 179.3915 27 A 3.9173 8.0866 120.8337 55.0219 18.4593 179.4490 28 L 3.9464 8.1068 119.1811 58.0907 42.2382 179.2351 29 G 3.6603 8.1728 105.7650 48.1499 0.0000 175.9344 30 R 3.9317 8.0722 120.8145 58.4191 30.0892 178.9021 31 L 4.0222 7.8148 120.3175 58.2394 42.0800 179.0554 32 L 4.0362 7.6494 118.9005 57.1995 41.3105 179.6089 33 V 3.5387 7.3728 117.5061 65.8508 31.6888 178.0446 34 V 3.4507 7.6913 116.9687 64.4817 32.7917 175.7366 35 Y 3.7970 7.0565 114.6243 54.5069 37.9260 174.4238 36 P 4.6146 0.0000 0.0000 64.5144 31.9390 178.1650 37 W 4.4034 7.9593 115.1956 59.2651 27.6883 177.7240 38 T 4.3598 7.8158 110.1199 63.5037 68.1862 175.9192 39 Q 4.3615 8.1798 121.5882 58.1628 28.4992 177.9985 40 R 3.8291 7.5865 116.4140 58.5078 29.2642 177.7763 41 F 4.4606 7.3325 115.5464 57.4300 39.5477 175.9398 42 F 4.5363 7.8794 118.2106 56.5668 40.1374 177.0583 43 E 3.9935 8.5209 121.8263 59.6041 29.2222 178.6596 44 S 4.4089 8.0944 110.8801 59.6287 62.9487 174.2747 45 F 4.6824 8.6321 119.9770 57.5954 39.6872 177.4870 46 G 3.9577 8.0215 108.2444 45.4625 0.0000 173.9751 47 D 4.5393 8.6324 124.0235 54.3651 41.5462 176.1440 48 L 4.9299 8.2949 126.5699 54.5904 43.3053 177.8447 49 S 4.3432 8.5865 116.6469 60.3182 63.7352 174.5867 50 T 4.7282 7.4467 110.1209 58.3411 72.9169 172.5352 51 P 4.2092 0.0000 0.0000 66.2814 31.3174 178.7092 52 D 4.3034 8.0476 116.6975 57.1706 40.5988 178.4360 53 A 4.0042 7.7120 120.3248 54.9949 18.6302 179.7276 54 V 3.6670 7.7300 116.5215 66.5403 31.5446 178.1975 55 M 3.9964 8.1485 117.5140 58.0484 31.9021 177.8021 56 G 3.7734 7.9509 104.8780 45.5486 0.0000 173.6202 57 N 4.2581 7.8904 119.7122 53.4130 39.6745 173.3741 58 P 4.2390 0.0000 0.0000 65.6177 31.4111 178.7734 59 K 3.7748 8.1534 117.4638 58.9274 31.8273 179.6317 60 V 3.7000 7.7163 118.2850 65.9511 31.4373 178.1057 61 K 3.9663 8.1904 118.0631 59.2907 31.3739 179.2708 62 A 3.9712 8.1108 121.1040 55.5140 18.3465 179.2097 63 H 4.3231 8.5625 117.0907 59.3649 29.9199 177.7412 64 G 3.6236 8.3055 107.7120 47.3134 0.0000 175.5226 65 K 3.9178 7.8426 122.0551 59.4922 32.2763 179.0374 66 K 4.0290 7.6760 117.9133 59.4030 32.1092 179.4179 67 V 3.6771 7.7490 118.5311 66.2365 31.3844 178.0600 68 L 4.4278 8.1910 118.5583 57.1457 41.4612 179.5799 69 G 3.7262 8.3654 105.8572 47.9931 0.0000 175.7015 70 A 4.1308 8.1172 123.6243 54.5393 18.4522 179.5524 71 F 4.2248 8.3706 119.1354 61.6145 39.2744 177.4970 72 S 4.2168 8.6417 114.3247 61.9248 62.8439 176.2634 73 D 4.5875 8.1974 121.1737 56.9693 40.5045 179.0342 74 G 3.5088 7.6626 106.7992 47.5008 0.0000 175.5954 75 L 3.8766 7.2941 119.1157 56.3575 41.6486 178.3698 76 A 4.2607 7.3014 119.5218 52.9055 20.0679 176.7214 77 H 4.8705 7.9940 114.5483 54.6444 29.5659 175.0561 78 L 3.9252 7.7736 118.8776 57.3194 42.0690 178.4394 79 D 4.6596 7.8900 116.2823 54.4894 41.8882 176.3405 80 N 5.0045 8.0761 118.3225 51.5782 39.7456 175.1537 81 L 4.0684 7.8711 122.9612 57.8254 42.1417 179.3317 82 K 3.9817 8.0425 116.9995 59.5126 32.2319 179.1256 83 G 3.6961 8.1109 105.2227 48.1922 0.0000 175.4926 84 T 3.6640 7.7040 117.2290 65.6364 68.6420 175.5790 85 F 4.6626 8.0476 116.6522 56.9421 39.4508 177.3015 86 A 4.1143 7.7768 123.2362 55.7372 18.2978 180.2653 87 T 3.9230 7.8721 107.5621 64.8469 68.9577 176.6723 88 L 4.1235 7.9601 121.5031 57.4401 41.4866 179.1664 89 S 4.3433 8.2723 114.2362 61.0525 62.4972 175.6876 90 E 3.9690 8.0139 119.8809 59.1665 29.4416 179.0098 91 L 4.1054 7.8622 120.0692 58.4608 42.2047 179.2659 92 H 3.9437 8.1178 111.9770 57.2451 28.2527 176.7569 *94 D 4.4763 7.9729 122.5031 53.9762 42.7539 176.8547 95 K 4.1734 8.0051 116.8761 58.2119 32.7510 177.8780 96 L 4.1805 7.6651 115.6972 54.7808 42.4691 176.0843 97 H 4.0959 7.8214 114.1181 56.7197 25.9044 174.9364 98 V 3.8735 7.8671 118.4580 60.8120 32.6143 174.6286 99 D 4.2845 8.6507 127.1141 53.7680 41.5082 174.9870 100 P 3.1635 0.0000 0.0000 64.8829 31.2107 177.9106 101 E 3.8897 8.2104 118.3916 59.2464 29.3933 178.5195 102 N 4.3109 8.0505 116.8923 56.0077 38.4957 177.3061 103 F 4.4987 7.3750 119.4564 60.5045 38.9357 177.9125 104 R 4.0187 7.8250 117.4813 58.9466 29.9249 178.7707 105 L 3.8154 7.6628 118.4054 57.7538 41.6437 179.3315 106 L 4.0590 7.9659 120.3149 57.9359 42.0557 179.2036 107 G 3.6597 8.0006 105.6833 48.0223 0.0000 175.4950 108 N 4.4535 8.3095 119.3241 55.7196 38.4952 177.7573 109 V 3.5619 8.0503 119.8020 66.0573 31.6346 177.5482 110 L 3.8402 8.3512 120.4137 58.4767 41.7580 179.2252 111 V 3.5828 7.8005 117.6332 66.1991 31.4345 177.8316 112 C 4.1436 7.9947 116.4571 62.7201 27.9106 176.2975 113 V 3.5125 7.9196 119.9410 65.7293 31.1140 177.7893 114 L 3.7311 7.8678 118.7551 57.8784 41.4570 179.2273 115 A 3.6313 7.1905 120.1542 55.5627 18.0326 179.1732 116 H 4.1294 7.9554 115.4181 59.7069 29.9840 176.8399 117 H 4.0403 8.0942 117.0467 57.4512 29.0436 176.6649 118 F 4.8216 8.2273 117.6077 56.4428 40.2273 177.0714 119 G 3.8461 8.6861 109.0472 45.8001 0.0000 176.6349 120 K 4.0264 9.0632 120.8714 59.9303 32.0546 177.4310 121 E 4.1682 8.1588 117.7048 57.2532 29.8937 176.9354 122 F 4.6989 8.2410 122.6257 57.7596 38.0002 175.5614 123 T 4.2251 7.3925 115.6606 59.8958 71.4216 173.6030 124 P 4.1332 0.0000 0.0000 65.5616 31.2432 176.9808 125 P 4.2287 0.0000 0.0000 65.7973 31.3434 178.8436 126 V 3.5763 7.3586 116.9722 65.6416 31.2668 177.9846 127 Q 3.5782 8.0191 119.6487 59.0498 28.9031 177.7465 128 A 3.9575 8.4108 121.9469 55.4563 18.2873 179.5253 129 A 3.9420 7.8390 119.0419 55.4436 18.4406 179.5260 130 Y 3.9337 8.0803 114.9329 61.0096 37.9096 178.6634 131 Q 4.1145 8.5702 119.6832 58.7871 28.7302 178.6913 132 K 3.9692 7.9195 119.2299 59.3297 32.0304 179.4133 133 V 3.4785 7.7251 118.3821 66.3373 31.4168 178.6366 134 V 3.8611 8.2262 111.8454 64.1002 31.2371 178.5341 135 A 4.0944 8.2883 120.9682 55.0673 18.1822 179.8187 136 G 3.5142 8.2774 104.4971 47.9638 0.0000 176.0305 137 V 3.2335 8.0875 121.0776 65.4696 31.0883 177.9066 138 A 3.9205 8.2675 120.8729 55.2950 17.9851 179.4210 139 N 4.3032 8.2264 114.0236 56.3778 38.4059 177.2780 140 A 4.1097 8.1694 122.4339 55.0157 18.5892 179.5052 141 L 3.9220 7.8462 116.7424 56.7372 41.6067 178.5791 142 A 4.5692 7.5999 119.7204 53.4050 18.9533 178.7845 143 H 4.3364 7.8969 112.3658 58.1237 28.5296 176.3247 144 K 4.3041 7.7149 118.9400 56.1867 32.0209 176.0253 145 Y 4.1280 8.0805 118.2728 57.9406 38.5054 175.4460 146 H 4.5015 8.3184 118.4770 56.0562 28.4717 173.1369 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 V 8.05 3.88 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 0.91 0.00 0.00 0.90 0.00 0.00 2 H 8.97 3.82 0.00 3.21 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.82 4.70 0.00 1.65 1.36 0.82 0.88 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 4 T 9.32 4.13 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 1.22 0.00 0.00 5 P 0.00 4.51 0.00 2.26 2.31 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 6 E 8.03 3.88 0.00 1.97 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 2.38 2.33 0.00 7 E 8.94 3.88 0.00 2.11 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 2.28 2.27 0.00 8 K 8.36 3.82 0.00 1.72 1.80 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 S 8.46 4.13 0.00 4.04 4.22 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 10 A 7.89 3.96 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 0.00 0.00 11 V 7.89 3.41 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 0.59 0.00 0.00 0.41 0.00 0.00 12 T 7.84 3.95 4.32 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 1.26 0.00 0.00 13 A 8.91 3.92 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 14 L 8.50 3.81 0.00 1.83 1.93 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.57 4.43 0.00 3.79 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 16 G 7.99 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 0.00 0.00 0.00 17 K 7.89 4.40 0.00 2.09 2.10 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.46 7.81 18 V 7.06 3.67 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 0.04 0.00 0.00 0.57 0.00 0.00 19 N 8.24 4.54 0.00 2.79 2.59 0.00 0.00 7.20 7.71 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 20 V 7.98 3.60 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 0.77 0.00 0.00 0.95 0.00 0.00 21 D 8.21 4.37 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 22 E 8.29 4.37 0.00 1.92 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 2.18 2.24 0.00 23 V 7.68 3.52 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 0.84 0.00 0.00 0.58 0.00 0.00 24 G 7.85 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 25 G 7.99 3.59 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 0.00 0.00 0.00 26 E 8.26 3.92 0.00 2.08 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 2.30 2.47 0.00 27 A 8.09 3.92 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 28 L 8.11 3.95 0.00 1.74 1.63 0.80 1.06 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 29 G 8.17 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 30 R 8.07 3.93 0.00 1.93 1.93 0.00 3.07 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 31 L 7.81 4.02 0.00 1.81 1.87 0.94 0.64 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 32 L 7.65 4.04 0.00 1.77 1.65 0.67 0.75 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 33 V 7.37 3.54 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 0.71 0.00 0.00 0.91 0.00 0.00 34 V 7.69 3.45 1.68 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 0.02 0.00 0.00 0.79 0.00 0.00 35 Y 7.06 3.80 0.00 2.65 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 36 P 0.00 4.61 0.00 2.26 2.16 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 37 W 7.96 4.40 0.00 3.54 3.42 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 38 T 7.82 4.36 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 39 Q 8.18 4.36 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 40 R 7.59 3.83 0.00 1.65 1.89 0.00 3.07 0.00 0.00 2.84 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 41 F 7.33 4.46 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 4.54 0.00 2.90 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 43 E 8.52 3.99 0.00 2.17 2.22 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 2.36 2.34 0.00 44 S 8.09 4.41 0.00 4.13 4.13 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 45 F 8.63 4.68 0.00 3.22 3.13 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 46 G 8.02 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 47 D 8.63 4.54 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 48 L 8.29 4.93 0.00 1.65 1.60 1.01 1.02 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 49 S 8.59 4.34 0.00 4.00 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 50 T 7.45 4.73 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 1.21 0.00 0.00 51 P 0.00 4.21 0.00 2.15 2.13 0.00 3.58 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 2.09 2.16 0.00 52 D 8.05 4.30 0.00 2.67 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 53 A 7.71 4.00 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 54 V 7.73 3.67 2.18 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 0.99 0.00 0.00 0.99 0.00 0.00 55 M 8.15 4.00 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 56 G 7.95 3.77 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 0.00 0.00 0.00 57 N 7.89 4.26 0.00 3.13 2.83 0.00 0.00 7.10 7.72 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 58 P 0.00 4.24 0.00 2.13 2.05 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 59 K 8.15 3.77 0.00 1.48 0.74 0.00 1.46 0.00 0.00 1.14 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.24 7.81 60 V 7.72 3.70 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 1.04 0.00 0.00 1.03 0.00 0.00 61 K 8.19 3.97 0.00 1.95 1.82 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.43 7.81 62 A 8.11 3.97 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 63 H 8.56 4.32 0.00 3.56 3.56 0.00 5.79 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 64 G 8.31 3.62 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 0.00 0.00 0.00 65 K 7.84 3.92 0.00 1.79 2.12 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 66 K 7.68 4.03 0.00 2.02 1.88 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 67 V 7.75 3.68 2.26 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 1.08 0.00 0.00 0.97 0.00 0.00 68 L 8.19 4.43 0.00 2.00 1.84 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.37 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 0.00 0.00 0.00 70 A 8.12 4.13 1.55 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 0.00 0.00 0.00 71 F 8.37 4.22 0.00 3.37 3.40 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 72 S 8.64 4.22 0.00 4.29 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 0.00 73 D 8.20 4.59 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.66 3.51 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 0.00 0.00 0.00 75 L 7.29 3.88 0.00 1.47 1.42 -0.04 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.30 4.26 1.15 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 0.00 0.00 0.00 0.00 0.00 77 H 7.99 4.87 0.00 3.09 3.12 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.77 3.93 0.00 1.54 1.64 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.89 4.66 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.08 5.00 0.00 2.71 2.61 0.00 0.00 7.17 6.48 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 81 L 7.87 4.07 0.00 1.73 1.78 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.04 3.98 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.51 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.46 7.81 83 G 8.11 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 0.00 0.00 0.00 84 T 7.70 3.66 4.15 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 0.00 0.00 0.52 0.00 0.00 85 F 8.05 4.66 0.00 3.15 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 86 A 7.78 4.11 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 87 T 7.87 3.92 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 1.21 0.00 0.00 88 L 7.96 4.12 0.00 2.03 1.90 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.27 4.34 0.00 4.01 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 90 E 8.01 3.97 0.00 2.16 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 2.31 2.31 0.00 91 L 7.86 4.11 0.00 1.90 1.86 0.92 1.00 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 92 H 8.12 3.94 0.00 3.59 3.71 0.00 5.89 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *94 D 7.97 4.48 0.00 2.75 2.72 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 95 K 8.01 4.17 0.00 1.85 1.79 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.41 7.81 96 L 7.67 4.18 0.00 1.71 1.63 0.73 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.82 4.10 0.00 3.42 3.43 0.00 5.69 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.87 3.87 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 0.10 0.00 0.00 0.56 0.00 0.00 99 D 8.65 4.28 0.00 2.77 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 0.00 100 P 0.00 3.16 0.00 1.91 1.84 0.00 3.35 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.51 0.00 101 E 8.21 3.89 0.00 2.02 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 2.30 2.37 0.00 102 N 8.05 4.31 0.00 2.47 2.68 0.00 0.00 6.89 7.70 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 0.00 103 F 7.38 4.50 0.00 3.11 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 0.00 104 R 7.83 4.02 0.00 1.94 1.97 0.00 3.12 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 105 L 7.66 3.82 0.00 1.69 1.38 0.53 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.97 4.06 0.00 1.82 1.73 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.00 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 0.00 108 N 8.31 4.45 0.00 2.79 2.94 0.00 0.00 6.71 7.05 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 0.00 109 V 8.05 3.56 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 1.04 0.00 0.00 1.14 0.00 0.00 110 L 8.35 3.84 0.00 1.63 1.86 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.80 3.58 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 1.31 0.00 0.00 1.18 0.00 0.00 112 C 7.99 4.14 0.00 3.15 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 0.00 113 V 7.92 3.51 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 0.87 0.00 0.00 0.92 0.00 0.00 114 L 7.87 3.73 0.00 1.27 0.92 0.54 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.19 3.63 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 0.00 116 H 7.96 4.13 0.00 3.21 3.49 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.09 4.04 0.00 2.78 2.55 0.00 5.70 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.23 4.82 0.00 3.10 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 0.00 119 G 8.69 3.85 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 0.00 0.00 0.00 120 K 9.06 4.03 0.00 1.91 2.04 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.45 7.81 121 E 8.16 4.17 0.00 2.10 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 0.00 2.32 2.27 0.00 122 F 8.24 4.70 0.00 3.03 3.13 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 0.00 123 T 7.39 4.23 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 1.26 0.00 0.00 124 P 0.00 4.13 0.00 2.15 2.14 0.00 3.59 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 2.11 2.19 0.00 125 P 0.00 4.23 0.00 2.11 2.08 0.00 3.47 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 2.09 2.13 0.00 126 V 7.36 3.58 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 0.96 0.00 0.00 0.91 0.00 0.00 127 Q 8.02 3.58 0.00 1.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 128 A 8.41 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 0.00 129 A 7.84 3.94 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 0.00 130 Y 8.08 3.93 0.00 3.36 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 0.00 131 Q 8.57 4.11 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 132 K 7.92 3.97 0.00 1.92 1.83 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.56 7.81 133 V 7.73 3.48 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 0.98 0.00 0.00 0.69 0.00 0.00 134 V 8.23 3.86 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 1.10 0.00 0.00 1.12 0.00 0.00 135 A 8.29 4.09 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 0.00 136 G 8.28 3.51 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 0.00 0.00 0.00 137 V 8.09 3.23 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 0.64 0.00 0.00 0.53 0.00 0.00 138 A 8.27 3.92 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.23 4.30 0.00 2.81 2.88 0.00 0.00 7.04 8.21 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 0.00 140 A 8.17 4.11 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 0.00 141 L 7.85 3.92 0.00 0.76 0.63 0.13 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.60 4.57 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 0.00 143 H 7.90 4.34 0.00 3.38 3.77 0.00 5.75 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.71 4.30 0.00 1.76 1.79 0.00 1.62 0.00 0.00 1.22 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.54 7.81 145 Y 8.08 4.13 0.00 3.13 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 0.00 146 H 8.32 4.50 0.00 3.17 3.24 0.00 5.75 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.