NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4442 0.0000 0.0000 63.1126 32.7024 175.5511 3 S 4.3731 8.2608 115.0979 56.7923 65.1425 173.1345 4 I 4.5292 10.3442 129.9570 59.2220 40.8957 173.8079 5 K 4.9624 8.5611 128.1341 55.5803 33.9529 175.5315 6 L 5.2228 9.0207 124.1731 53.0305 45.6622 175.0332 7 Q 5.2365 9.4592 125.9370 54.3471 31.2096 175.9704 8 S 4.6395 9.5698 123.2338 57.4415 64.7074 174.3468 9 S 4.1268 8.7180 115.3169 61.5748 62.6632 175.4560 10 D 4.3913 8.2306 128.5488 52.5484 37.9612 175.8338 11 G 3.6371 8.6059 110.5073 47.7065 0.0000 172.2362 12 E 4.1208 10.2104 122.3837 56.1615 30.7374 175.8799 13 I 4.9833 8.0692 119.2592 59.2076 40.1913 174.6981 14 F 4.7950 9.3703 123.6130 55.7808 42.6345 173.5699 15 E 5.1122 9.0224 123.1729 55.1087 30.2444 175.7738 16 V 4.5610 8.6354 118.1683 58.9324 35.4636 174.8630 17 D 4.2185 8.8365 123.6533 54.9203 41.4856 177.7419 18 V 3.6337 8.6030 124.6789 65.7484 32.1159 176.5499 19 E 4.0786 8.6414 120.2329 59.0248 29.2528 177.7314 20 I 4.0691 7.5943 108.7891 62.0751 39.1101 176.3912 21 A 4.1965 7.6042 123.7290 52.5303 18.9836 177.7238 22 K 4.2127 8.7596 113.9569 57.4492 32.0550 177.8444 23 Q 4.0862 8.4486 119.6787 58.4793 29.4563 175.2033 24 S 4.3570 8.0049 112.9240 57.6082 63.0636 174.2022 25 V 3.5975 8.6255 130.2951 66.5583 31.3785 178.1040 26 T 3.9550 8.1610 109.5820 64.4627 68.4931 176.2773 27 I 3.9245 8.1676 116.4897 63.3046 37.8647 177.8448 28 K 3.8684 8.3518 122.0716 59.6887 31.8690 178.7009 29 T 3.7690 8.3239 109.0011 65.2768 68.4657 175.5069 30 M 4.1491 7.6441 119.3801 58.2806 32.2188 177.3415 31 L 4.1551 8.4338 121.6260 56.7069 42.5770 176.9729 32 E 4.0494 7.2315 116.6069 57.3330 29.7630 174.2971 33 D 4.5468 7.8567 121.9167 55.1231 39.8550 174.8044 *43 D 4.4687 7.4822 120.5225 53.8247 42.1930 173.7843 44 P 4.9037 0.0000 0.0000 62.3645 33.6111 177.6619 45 V 4.3631 8.8001 122.2362 60.0002 33.0327 173.4408 46 P 4.9543 0.0000 0.0000 62.3301 32.8900 176.3184 47 L 4.7379 9.0114 121.6877 51.9618 43.0860 174.8172 48 P 4.8096 0.0000 0.0000 61.8302 31.9638 177.5774 49 N 4.8614 7.7192 110.6238 54.1275 40.4132 174.2273 50 V 4.3446 7.6201 114.0889 59.2357 34.4629 175.1773 51 N 4.9458 8.4984 122.1205 52.2934 39.6990 175.4816 52 A 4.4454 8.5393 121.2689 52.9475 18.5847 179.5362 53 A 4.0955 7.7947 121.5354 55.4673 18.9531 179.8219 54 I 3.6567 7.7976 117.9987 63.9375 37.1949 178.0529 55 L 3.6802 8.2282 121.2412 58.4908 41.9503 178.7899 56 K 3.6073 7.5646 118.6415 59.9049 31.9593 177.9052 57 K 4.0738 8.0862 118.6192 59.7101 32.1796 178.7043 58 V 3.7399 8.2086 118.7605 66.4982 31.4125 177.9530 59 I 3.8161 8.0421 117.9205 63.6241 37.7264 177.8761 60 Q 4.0225 8.3033 120.8615 58.3109 28.4240 178.0242 61 W 4.1755 8.2544 128.0620 61.1456 30.9077 177.4815 62 C 4.4791 8.5733 116.4766 63.1399 27.1205 176.2076 63 T 3.8608 7.8774 117.4840 66.7624 67.7842 176.2064 64 H 3.9056 7.9928 119.1332 57.7739 30.1755 175.1533 65 H 4.4193 7.1883 118.0566 54.9361 29.0094 175.9984 66 K 4.3833 7.8517 115.6558 57.4580 32.8850 177.6824 67 D 4.7498 7.2033 118.9271 52.9218 40.4578 178.0618 68 D 3.8999 8.3741 126.8267 55.1103 41.5916 172.0618 *83 D 4.5418 8.1653 118.4479 56.4030 40.0385 177.6485 84 D 4.1607 8.3728 115.1524 56.1749 41.5270 172.4944 85 I 3.3573 7.6695 119.1169 59.8424 37.5994 171.7458 86 P 4.1982 0.0000 0.0000 63.0702 32.4343 176.9184 87 V 3.5885 8.6848 121.9953 66.2125 31.4647 177.9674 88 W 4.0488 8.3184 127.3248 60.4495 30.5470 177.6191 89 D 4.7723 8.7957 118.3651 58.3663 40.3513 178.9861 90 Q 3.8652 8.2120 117.5230 58.7184 28.9543 179.5025 91 E 3.9680 8.2265 120.3434 59.2191 29.5505 178.1385 92 F 4.1716 7.8670 119.8247 61.5628 39.3851 177.3005 93 L 4.0899 7.8569 115.3938 54.4396 43.0329 178.2758 94 K 4.2399 7.6333 121.0912 55.4028 30.5953 175.2006 95 V 4.5077 6.8578 113.0932 58.6864 36.2532 175.6825 96 D 4.3777 8.7330 120.6837 53.9913 39.5323 176.8226 97 Q 3.0996 8.4763 118.2659 56.4579 30.6642 181.1925 98 G 3.5487 7.0125 100.0362 45.8153 0.0000 175.6239 99 T 3.9354 8.3557 114.5874 64.7690 69.0868 175.5079 100 L 3.5184 8.6060 120.3448 57.4144 41.4369 179.1753 101 F 4.0252 7.3475 116.9786 61.3361 39.5252 177.9733 102 E 4.1696 8.3952 117.5353 58.9206 29.1329 179.5393 103 L 3.9552 8.8448 120.4779 57.5828 41.7096 178.9445 104 I 3.8202 6.8779 111.6406 61.9637 37.8327 175.9993 105 L 4.5559 8.2363 118.8521 56.4741 42.9080 178.3512 106 A 3.9574 7.8604 120.1573 55.2437 18.3689 179.0052 107 A 4.2766 8.0244 118.5439 55.7432 18.1524 178.8796 108 N 4.1580 8.2279 114.1991 57.1567 38.6749 176.2764 109 Y 3.9509 7.8087 119.3668 60.6472 39.2869 177.2682 110 L 4.7290 9.2324 120.0991 53.6370 42.9944 175.7324 111 D 4.3996 7.5228 118.8085 55.3940 40.0732 174.6003 112 I 4.5163 7.4609 122.8875 59.1301 36.0525 176.8320 113 K 3.8502 8.2593 125.6421 59.3554 33.0152 179.2396 114 G 3.5952 8.2290 105.2188 47.8508 0.0000 175.4713 115 L 2.9355 7.2362 123.5907 56.7402 41.7067 178.5450 116 L 3.7464 7.6033 119.9193 58.9123 41.9959 177.5495 117 D 4.3678 7.5948 116.1631 58.4754 40.9835 178.7724 118 V 3.7058 7.8813 118.1396 65.1888 31.5790 178.3181 119 T 3.6720 8.2447 113.9064 65.2644 67.2491 175.5472 120 C 3.9469 8.8273 119.6130 62.9620 27.4579 176.6646 121 K 3.9406 8.7069 120.0373 60.2984 31.5036 179.7169 122 T 3.9309 7.4666 114.5597 66.5290 68.5466 175.9623 123 V 3.7522 7.6565 119.2466 66.0529 31.5534 177.8761 124 A 4.0040 7.9994 120.4529 55.3066 18.0068 179.0448 125 N 4.1450 9.2974 114.1402 57.0878 38.6744 177.1643 126 M 4.2306 8.1572 119.1198 58.6903 32.4016 178.4641 127 I 4.0172 8.1113 119.3592 63.1198 37.1798 176.4130 128 K 3.8751 7.9309 121.4318 57.5225 32.3266 176.4583 129 G 3.9101 8.7513 114.9649 46.9788 0.0000 172.8050 130 K 4.7340 7.5734 116.5840 54.4305 35.3548 176.3180 131 T 4.6137 8.3940 110.1079 59.6130 71.8208 173.5849 132 P 4.2092 0.0000 0.0000 66.0894 31.3785 178.0439 133 E 3.9447 8.3428 117.1596 59.6525 29.2997 178.6550 134 E 3.9980 8.3209 118.4219 59.5488 29.5570 179.5478 135 I 3.9144 8.3865 113.4502 64.0992 37.6301 178.2252 136 R 4.0650 8.4315 120.6931 59.5842 29.7898 177.2567 137 K 4.0813 8.4961 120.5924 59.0138 31.7795 178.3216 138 T 3.3094 8.5141 115.2583 64.2671 68.9949 175.4921 139 F 4.4167 8.5035 118.5501 55.9900 40.0895 174.7203 140 N 4.1490 8.7016 117.6430 54.4234 37.8127 173.4357 141 I 4.3610 7.5508 115.8623 59.0410 39.9046 174.5070 142 K 4.2894 8.2699 127.8981 55.5393 33.2356 177.3299 143 N 4.7198 8.9403 124.1320 55.5396 36.3541 175.4465 144 D 4.1642 6.7561 120.4105 55.9280 41.9697 177.1561 145 F 4.9174 9.0328 119.6495 56.0795 40.1060 177.1922 146 T 4.3310 8.7200 116.7431 60.2492 68.7252 173.1102 147 E 3.5904 8.7537 116.5274 57.3114 32.0055 172.2709 148 E 4.6718 8.2461 122.5616 56.4138 29.2962 178.5216 149 E 5.2356 8.6011 108.0350 56.1926 31.6273 172.2518 150 E 4.0878 7.2667 118.9575 57.1429 28.9336 176.3929 151 A 4.5276 8.4109 131.1012 50.5258 19.6773 175.4930 152 Q 4.6444 8.2771 119.8346 54.6682 31.2397 175.4628 153 V 3.7234 8.3274 119.7445 63.5871 32.1891 176.1786 154 R 3.9643 8.5303 122.7957 56.6671 30.9550 175.7069 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 P 0.00 4.44 0.00 1.96 2.10 0.00 3.69 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 1.93 2.09 0.00 3 S 8.26 4.37 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 10.34 4.53 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 1.26 1.42 0.98 0.00 0.00 5 K 8.56 4.96 0.00 1.78 1.75 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.49 7.81 6 L 9.02 5.22 0.00 1.87 1.60 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 9.46 5.24 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.59 0.00 8 S 9.57 4.64 0.00 4.13 4.18 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 9 S 8.72 4.13 0.00 3.98 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 0.00 10 D 8.23 4.39 0.00 2.94 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 11 G 8.61 3.64 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 0.00 0.00 0.00 12 E 10.21 4.12 0.00 2.04 1.87 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 1.81 2.05 0.00 13 I 8.07 4.98 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.70 0.93 0.00 0.00 14 F 9.37 4.79 0.00 3.13 3.03 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 0.00 0.00 0.00 15 E 9.02 5.11 0.00 1.88 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 2.28 2.36 0.00 16 V 8.64 4.56 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 0.84 0.00 0.00 1.04 0.00 0.00 17 D 8.84 4.22 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.60 3.63 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 0.83 0.00 0.00 0.96 0.00 0.00 19 E 8.64 4.08 0.00 2.06 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 2.29 2.38 0.00 20 I 7.59 4.07 1.85 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 1.37 1.04 0.94 0.00 0.00 21 A 7.60 4.20 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 22 K 8.76 4.21 0.00 2.15 1.97 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 23 Q 8.45 4.09 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 24 S 8.00 4.36 0.00 3.97 3.79 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 25 V 8.63 3.60 2.29 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 1.06 0.00 0.00 0.94 0.00 0.00 26 T 8.16 3.96 4.12 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 1.16 0.00 0.00 27 I 8.17 3.92 1.91 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 1.44 0.75 0.97 0.00 0.00 28 K 8.35 3.87 0.00 2.09 1.98 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.47 7.81 29 T 8.32 3.77 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 1.28 0.00 0.00 30 M 7.64 4.15 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 31 L 8.43 4.16 0.00 1.81 1.62 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.23 4.05 0.00 2.12 1.96 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 2.28 2.28 0.00 33 D 7.86 4.55 0.00 3.03 2.84 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 D 7.48 4.47 0.00 2.69 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 44 P 0.00 4.90 0.00 2.09 2.07 0.00 3.51 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 2.09 0.00 45 V 8.80 4.36 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 0.93 0.00 0.00 0.98 0.00 0.00 46 P 0.00 4.95 0.00 2.11 2.10 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 47 L 9.01 4.74 0.00 1.50 1.47 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.81 0.00 2.15 2.11 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 49 N 7.72 4.86 0.00 2.65 2.76 0.00 0.00 6.09 7.68 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 50 V 7.62 4.34 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 0.72 0.00 0.00 0.87 0.00 0.00 51 N 8.50 4.95 0.00 2.94 2.95 0.00 0.00 6.16 7.46 0.00 0.00 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 A 8.54 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.79 4.10 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 54 I 7.80 3.66 2.00 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 1.52 0.85 0.93 0.00 0.00 55 L 8.23 3.68 0.00 1.59 1.29 0.77 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.56 3.61 0.00 2.14 2.03 0.00 1.75 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.64 7.81 57 K 8.09 4.07 0.00 2.22 1.96 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.89 7.81 58 V 8.21 3.74 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 0.99 0.00 0.00 0.97 0.00 0.00 59 I 8.04 3.82 1.87 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 1.57 1.50 0.77 0.00 0.00 60 Q 8.30 4.02 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.48 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 61 W 8.25 4.18 0.00 3.49 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 62 C 8.57 4.48 0.00 3.23 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 63 T 7.88 3.86 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 1.20 0.00 0.00 64 H 7.99 3.91 0.00 2.47 2.36 0.00 5.91 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.19 4.42 0.00 2.55 2.94 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.85 4.38 0.00 1.64 1.79 0.00 1.51 0.00 0.00 2.27 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.53 7.81 67 D 7.20 4.75 0.00 2.52 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 0.00 0.00 0.00 68 D 8.37 3.90 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 *83 D 8.17 4.54 0.00 2.84 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 84 D 8.37 4.16 0.00 2.76 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 85 I 7.67 3.36 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 1.03 0.00 0.00 86 P 0.00 4.20 0.00 2.50 2.16 0.00 3.78 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 2.25 2.25 0.00 87 V 8.68 3.59 2.19 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 1.08 0.00 0.00 0.99 0.00 0.00 88 W 8.32 4.05 0.00 3.43 3.17 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 0.00 0.00 0.00 0.00 89 D 8.80 4.77 0.00 3.21 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 0.00 90 Q 8.21 3.87 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 91 E 8.23 3.97 0.00 2.09 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 2.08 2.14 0.00 92 F 7.87 4.17 0.00 2.38 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 93 L 7.86 4.09 0.00 1.62 1.55 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.63 4.24 0.00 1.92 1.68 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.51 7.81 95 V 6.86 4.51 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 0.68 0.00 0.00 0.76 0.00 0.00 96 D 8.73 4.38 0.00 2.90 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 97 Q 8.48 3.10 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.47 0.00 0.00 0.00 0.00 0.00 3.06 2.62 0.00 98 G 7.01 3.55 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 0.00 99 T 8.36 3.94 4.18 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 1.26 0.00 0.00 100 L 8.61 3.52 0.00 1.52 0.89 0.63 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 101 F 7.35 4.03 0.00 3.28 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 0.00 102 E 8.40 4.17 0.00 2.19 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 2.54 0.00 103 L 8.84 3.96 0.00 1.59 1.57 0.72 0.57 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 0.00 104 I 6.88 3.82 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.72 0.75 0.00 0.00 105 L 8.24 4.56 0.00 1.98 1.66 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.86 3.96 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 0.00 107 A 8.02 4.28 1.22 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 0.00 0.00 108 N 8.23 4.16 0.00 2.84 3.01 0.00 0.00 6.68 7.56 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 0.00 109 Y 7.81 3.95 0.00 3.12 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 0.00 110 L 9.23 4.73 0.00 1.69 1.74 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.52 4.40 0.00 2.74 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 0.00 112 I 7.46 4.52 1.74 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 1.22 0.57 0.80 0.00 0.00 113 K 8.26 3.85 0.00 1.83 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.52 7.81 114 G 8.23 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.24 2.94 0.00 0.27 0.93 0.51 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.60 3.75 0.00 1.69 1.56 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.59 4.37 0.00 2.65 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 0.00 118 V 7.88 3.71 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 0.92 0.00 0.00 1.12 0.00 0.00 119 T 8.24 3.67 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 120 C 8.83 3.95 0.00 3.21 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 0.00 121 K 8.71 3.94 0.00 1.83 1.87 0.00 1.60 0.00 0.00 1.81 0.00 0.00 3.43 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.54 7.81 122 T 7.47 3.93 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 123 V 7.66 3.75 2.19 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 1.21 0.00 0.00 0.70 0.00 0.00 124 A 8.00 4.00 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 0.00 125 N 9.30 4.14 0.00 3.00 2.96 0.00 0.00 7.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 M 8.16 4.23 0.00 1.99 2.58 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 127 I 8.11 4.02 1.99 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.42 0.91 0.00 0.00 128 K 7.93 3.88 0.00 1.72 1.93 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.42 7.81 129 G 8.75 3.91 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 0.00 130 K 7.57 4.73 0.00 1.95 1.79 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.36 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.39 7.81 131 T 8.39 4.61 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 1.33 0.00 0.00 132 P 0.00 4.21 0.00 2.20 2.23 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 133 E 8.34 3.94 0.00 2.05 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 0.00 2.41 2.46 0.00 134 E 8.32 4.00 0.00 2.28 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 2.35 2.34 0.00 135 I 8.39 3.91 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.31 1.04 0.00 0.00 136 R 8.43 4.07 0.00 2.20 2.12 0.00 3.24 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 137 K 8.50 4.08 0.00 1.96 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.60 7.81 138 T 8.51 3.31 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 1.17 0.00 0.00 139 F 8.50 4.42 0.00 3.22 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 0.00 140 N 8.70 4.15 0.00 2.71 2.82 0.00 0.00 6.97 5.12 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 0.00 141 I 7.55 4.36 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.87 1.02 0.00 0.00 142 K 8.27 4.29 0.00 1.73 1.65 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.35 7.81 143 N 8.94 4.72 0.00 2.78 2.79 0.00 0.00 7.12 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 0.00 144 D 6.76 4.16 0.00 2.30 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 0.00 0.00 0.00 0.00 145 F 9.03 4.92 0.00 3.29 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 0.00 146 T 8.72 4.33 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 0.00 147 E 8.75 3.59 0.00 2.24 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 2.36 2.33 0.00 148 E 8.25 4.67 0.00 2.17 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 2.32 2.35 0.00 149 E 8.60 5.24 0.00 1.73 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 1.47 2.10 0.00 150 E 7.27 4.09 0.00 1.90 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 2.26 2.25 0.00 151 A 8.41 4.53 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 0.00 152 Q 8.28 4.64 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 153 V 8.33 3.72 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 0.84 0.00 0.00 0.92 0.00 0.00 154 R 8.53 3.96 0.00 2.03 2.09 0.00 3.12 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.