NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3904 0.0000 0.0000 62.0586 32.6637 176.3433 9 K 4.1360 8.4592 122.8123 54.7719 32.8800 174.5054 10 P 4.4922 0.0000 0.0000 62.9967 32.7891 175.6110 11 S 4.4434 7.7679 114.2222 56.8612 65.5484 173.8752 12 F 3.0107 8.0170 123.0868 57.3592 39.5058 173.0646 13 P 2.9700 0.0000 0.0000 61.3904 32.0486 175.1087 14 Y 4.3278 7.4036 117.4576 56.9725 39.0079 176.3507 15 G 3.8905 8.8196 111.8407 46.2040 0.0000 174.2023 16 S 4.5645 7.4262 113.2541 55.6500 66.6046 173.6860 17 P 4.1963 0.0000 0.0000 65.7036 30.8465 178.9542 18 G 3.7033 8.0187 102.8216 48.0884 0.0000 174.9660 19 E 4.0465 7.7957 121.6671 58.8925 29.6387 179.3656 20 L 3.4272 7.9248 120.3037 57.4785 41.8950 177.8526 21 N 4.8268 7.9943 114.1315 54.1283 38.7876 176.1691 22 S 4.8770 7.3023 115.6565 57.0544 63.6701 173.2535 23 F 4.8257 7.5418 125.7814 56.4940 39.5138 175.8628 24 L 3.8579 8.5925 130.6868 58.0721 41.7558 177.0901 25 P 4.0172 0.0000 0.0000 65.3413 31.1923 178.0060 26 Y 4.0575 7.3300 117.9965 60.5752 38.8557 177.7397 27 L 3.8294 7.8712 119.7156 57.7762 41.7588 179.4431 28 L 3.9222 7.9320 119.0558 58.0339 41.4640 179.7761 29 T 3.7969 8.1468 109.9420 64.8598 68.6460 176.3558 30 R 3.8138 7.9283 121.4420 59.1363 30.1086 178.8462 31 I 3.6471 7.9183 119.0384 64.9667 37.0681 178.6100 32 T 3.8787 7.8126 116.1767 67.1644 68.2538 175.1600 33 H 4.3704 8.0230 119.8024 59.7566 29.8022 176.7364 34 I 3.6315 7.7469 121.0247 64.3380 37.1353 178.1335 35 W 4.2877 8.6239 130.3408 60.0424 30.3478 177.4753 36 S 3.8599 8.7693 112.7788 61.8644 62.0749 175.7731 37 S 4.0257 8.7612 118.0506 61.9691 62.2161 176.5315 38 E 3.5156 7.8459 120.3087 59.7932 29.2750 179.7825 39 L 3.4978 6.9808 119.2674 57.2424 41.9811 178.9528 40 N 4.2050 7.7358 117.1239 56.4448 38.3948 177.2404 41 Q 4.0739 7.8024 116.1869 58.3368 29.0301 177.8512 42 A 4.1642 7.6984 123.1141 55.3167 18.2443 179.3941 43 L 4.1176 8.4228 116.3750 56.6303 41.4751 179.2599 44 A 4.0808 7.9395 120.9214 53.9783 18.3735 178.5687 45 S 4.6673 7.6175 110.4489 58.1640 64.2716 174.3172 46 E 4.5658 7.8130 122.7572 57.9842 30.1821 176.3672 47 K 3.9628 8.0912 114.2132 57.6372 31.6818 175.4515 48 L 4.5446 7.2890 121.4014 52.4422 43.0406 173.6785 49 P 4.3493 0.0000 0.0000 62.4051 33.3635 176.2573 50 T 3.8541 8.5767 118.0821 66.8733 68.5710 174.9771 51 P 4.2661 0.0000 0.0000 65.3339 31.3458 178.7665 52 K 3.9407 8.0416 116.9494 59.5427 31.9682 178.9179 53 L 3.9901 7.9479 120.4509 58.2344 41.8239 179.1842 54 R 3.8829 8.1248 119.4741 58.3592 29.8834 179.1488 55 L 4.0832 7.8812 118.5881 57.8005 41.8554 179.2386 56 L 4.0795 8.0850 119.2007 57.7503 41.6340 179.7383 57 S 4.1440 8.8134 114.7900 61.5834 62.7685 176.6250 58 S 4.3917 7.8393 118.9088 61.5342 62.5618 176.9460 59 L 4.2080 8.4703 121.5298 57.5952 41.0350 179.4967 60 S 4.1397 7.9647 112.5442 60.7006 62.3714 175.7487 61 A 4.0138 7.5980 122.7596 54.9363 18.5684 178.4907 62 Y 4.4289 8.2956 112.3298 56.9650 39.2054 177.1507 63 G 4.0596 8.3485 107.9262 45.2342 0.0000 175.8644 64 E 4.3685 8.8361 126.4991 55.9979 29.9898 174.8323 65 L 5.1342 8.9982 126.4349 53.1059 46.3690 176.4809 66 T 4.4128 8.4206 112.9318 61.0321 70.2234 175.8409 67 V 3.6735 8.5113 120.8487 65.7814 31.3400 178.3120 68 G 3.4659 7.9100 105.2358 47.9910 0.0000 175.7467 69 Q 3.9325 7.6785 120.6595 58.1615 28.5950 179.0605 70 L 3.9896 8.1610 120.2581 57.5550 41.5001 179.0083 71 A 4.1625 8.0020 121.1738 54.9640 18.4780 179.6228 72 T 4.0257 8.0392 114.0421 66.8323 68.4163 177.3400 73 L 4.1943 7.8066 119.2240 56.7371 41.6160 178.7064 74 G 4.1505 7.6986 103.5875 42.8704 0.0000 174.4787 75 V 2.8924 7.0731 113.7868 63.3204 29.7162 172.9645 *77 E 4.0929 8.0868 127.4325 55.7299 31.5952 175.7334 78 Q 4.0270 8.6798 124.3507 59.4631 28.6814 179.8339 79 S 4.1522 7.9708 115.7969 61.7307 63.0725 176.5641 80 T 3.9138 7.8539 111.6065 64.6189 68.4472 176.4384 81 T 4.0168 7.8232 119.0614 66.0470 68.6079 176.9385 82 S 4.0945 8.3778 115.6482 61.5573 62.2727 176.5049 83 R 3.9805 8.0169 119.6313 59.5100 30.0396 178.7637 84 T 3.9352 8.1500 115.7340 66.5759 68.5065 176.3583 85 V 3.5768 7.9938 119.7529 66.6760 31.4877 177.9372 86 D 4.4625 8.1957 118.1651 57.5401 40.6692 178.7492 87 Q 4.1265 8.1895 118.2645 58.3759 28.8372 178.4445 88 L 4.0175 7.7401 119.9069 57.7913 41.4997 179.4447 89 V 4.0919 8.3299 119.7265 65.1808 31.2388 177.5666 90 D 4.4121 7.9468 117.5591 56.2660 40.7904 177.5013 91 E 4.3991 7.9069 117.5152 56.2739 29.9778 177.2147 92 G 3.9672 7.5395 106.5108 45.3026 0.0000 174.0698 93 L 4.5160 8.0925 121.0307 55.8911 43.0147 176.3070 94 A 5.3391 7.8964 118.6091 50.1626 23.4485 174.5610 95 A 4.7501 8.7755 119.4697 50.3275 22.7609 176.4273 96 R 4.7557 8.6705 120.1384 56.7597 31.6452 176.1462 97 S 4.5878 8.4478 114.2799 58.2883 66.5542 173.0397 98 I 4.7967 7.7884 120.2724 59.4860 39.4032 177.1433 99 S 3.8347 8.7607 112.9767 54.6586 67.0855 175.7585 *104 R 4.6392 8.6013 110.7262 55.5544 29.5967 172.9992 105 K 4.6174 7.9302 121.6070 54.4678 36.9869 175.8101 106 R 4.7151 8.4419 121.6655 55.6871 30.2128 175.9362 107 T 4.5166 8.6026 118.4108 61.0932 71.3966 173.3652 108 V 5.0000 8.7885 120.5226 61.4571 34.9492 174.6962 109 V 4.8821 8.9215 119.9506 59.0459 36.3207 174.4239 110 L 4.5187 8.4559 124.8308 55.3381 42.7336 176.9266 111 T 4.3162 8.4547 116.8235 61.0603 70.8532 176.1177 112 R 3.8999 8.5869 119.8869 59.1030 29.9508 178.7830 113 K 3.9353 8.2528 119.2104 59.6397 31.8667 178.7624 114 G 3.5452 8.6233 105.8540 47.9470 0.0000 175.8346 115 K 3.9516 8.5732 121.8414 58.6399 31.8729 179.3453 116 K 3.9782 7.7932 119.7146 59.2561 32.0286 178.8223 117 K 4.2344 7.6046 119.7674 58.6323 32.2706 178.4013 118 L 4.1304 7.7843 119.4497 57.6432 41.5432 179.2525 119 A 3.9681 7.7263 120.5046 55.2939 17.9804 179.3329 120 E 4.1223 8.3950 115.8742 58.1102 29.6729 178.0249 121 I 4.5632 7.6369 117.7383 59.7902 40.0053 177.1605 122 S 4.2700 8.0125 115.5331 61.6200 62.4813 174.3611 123 P 4.1986 0.0000 0.0000 65.2703 31.0359 177.9215 124 L 3.8677 7.9874 118.3270 58.3204 41.7406 178.9153 125 I 4.0338 7.4325 117.9479 64.8390 37.3232 178.3464 126 N 4.4972 8.6829 117.2470 56.3133 38.1893 176.7729 127 D 4.3507 9.1687 122.1606 57.2319 40.7507 178.4115 128 F 4.4880 8.9793 118.8994 61.2525 38.9514 177.5182 129 H 4.4052 9.0747 118.0445 59.1216 29.7301 177.0816 130 A 4.0390 8.0637 122.2085 54.6759 18.1938 179.0712 131 E 4.1516 8.5528 116.0465 58.2985 29.6269 178.0856 132 L 4.5193 7.5301 119.7720 55.7168 42.8331 176.8696 133 V 4.3249 7.6160 115.6251 62.3092 31.9875 176.4743 134 G 3.6714 8.3288 109.2749 48.9646 0.0000 175.5656 135 N 4.7868 8.0128 115.2726 52.6507 38.5635 174.8664 136 V 3.9303 7.0953 118.0523 61.4067 32.5319 175.4804 137 D 4.3227 8.7484 125.9399 54.2428 41.3406 175.2339 138 P 4.2833 0.0000 0.0000 65.9848 31.0108 177.7168 139 D 4.4441 8.1888 118.0780 56.7558 41.0955 178.7659 140 K 4.0707 7.8998 118.4996 58.8097 32.1553 179.1769 141 L 3.8796 8.2965 121.3688 58.1367 42.2306 178.4262 142 Q 3.9545 7.6358 118.6895 59.8803 28.7763 178.8402 143 T 3.8855 7.8307 116.1998 66.7792 67.9439 176.2227 144 C 4.1263 8.1169 120.6210 62.3607 31.4934 175.6986 145 I 3.8077 7.9009 121.6295 64.0579 36.6400 178.0419 146 E 3.9390 8.0553 119.2331 59.4001 29.2247 179.6660 147 V 3.5726 7.5940 118.3485 65.8606 31.5482 178.0601 148 L 4.0616 7.6599 118.2418 57.7045 41.4182 179.7614 149 G 3.5621 8.2035 105.5961 47.8747 0.0000 175.4387 150 E 3.9529 8.1769 120.3965 59.2724 29.7849 179.3562 151 I 3.8541 8.1669 120.1285 64.0876 37.1743 178.2709 152 L 3.8821 8.4503 121.7421 58.1170 41.8033 178.8874 153 K 4.0144 8.5726 118.4578 58.9847 31.9697 178.5554 154 G 3.7618 7.6194 105.2712 47.4254 0.0000 175.5985 155 K 4.5080 7.8611 118.2621 55.6206 32.8033 177.1678 156 T 4.5247 7.4940 110.6169 60.6722 71.1078 174.1194 157 D 4.6991 8.6149 129.7410 54.0901 41.0983 175.8818 158 Y 4.0945 7.8078 125.3965 58.5149 39.8862 172.7306 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 8 P 0.00 4.39 0.00 2.05 2.07 0.00 3.64 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 1.92 2.11 0.00 9 K 8.46 4.14 0.00 1.84 1.78 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.61 7.81 10 P 0.00 4.49 0.00 2.24 2.31 0.00 3.77 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 2.08 2.11 0.00 11 S 7.77 4.44 0.00 3.87 3.80 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 12 F 8.02 3.01 0.00 2.70 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 13 P 0.00 2.97 0.00 1.54 0.88 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 14 Y 7.40 4.33 0.00 2.78 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 15 G 8.82 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 16 S 7.43 4.56 0.00 3.99 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 17 P 0.00 4.20 0.00 2.15 2.11 0.00 3.58 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 2.09 2.13 0.00 18 G 8.02 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 19 E 7.80 4.05 0.00 2.18 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 2.37 2.33 0.00 20 L 7.92 3.43 0.00 1.50 1.33 0.81 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.99 4.83 0.00 2.84 2.89 0.00 0.00 6.93 7.13 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 22 S 7.30 4.88 0.00 3.90 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 23 F 7.54 4.83 0.00 2.44 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 24 L 8.59 3.86 0.00 1.74 1.52 0.87 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 25 P 0.00 4.02 0.00 1.53 1.86 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 26 Y 7.33 4.06 0.00 3.36 3.25 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 27 L 7.87 3.83 0.00 1.89 1.68 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.93 3.92 0.00 1.82 1.65 0.94 0.59 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 29 T 8.15 3.80 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 1.24 0.00 0.00 30 R 7.93 3.81 0.00 1.64 1.86 0.00 3.02 0.00 0.00 2.90 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.17 0.00 31 I 7.92 3.65 1.88 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 1.50 0.57 0.91 0.00 0.00 32 T 7.81 3.88 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 1.27 0.00 0.00 33 H 8.02 4.37 0.00 3.24 3.64 0.00 5.81 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 34 I 7.75 3.63 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.41 0.92 0.00 0.00 35 W 8.62 4.29 0.00 3.37 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 36 S 8.77 3.86 0.00 3.81 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 0.00 37 S 8.76 4.03 0.00 3.64 3.74 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 38 E 7.85 3.52 0.00 1.48 1.12 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 2.12 2.37 0.00 39 L 6.98 3.50 0.00 0.78 1.11 0.85 0.48 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 40 N 7.74 4.21 0.00 3.01 2.75 0.00 0.00 6.59 6.91 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 41 Q 7.80 4.07 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 42 A 7.70 4.16 1.59 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 43 L 8.42 4.12 0.00 1.85 1.81 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.94 4.08 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 45 S 7.62 4.67 0.00 3.96 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 46 E 7.81 4.57 0.00 2.00 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 2.22 2.35 0.00 47 K 8.09 3.96 0.00 1.93 2.06 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.41 7.81 48 L 7.29 4.54 0.00 1.71 1.57 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.35 0.00 2.19 1.97 0.00 3.68 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 2.12 2.19 0.00 50 T 8.58 3.85 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 4.27 0.00 2.16 2.10 0.00 3.55 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 2.18 0.00 52 K 8.04 3.94 0.00 1.95 1.87 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.51 7.81 53 L 7.95 3.99 0.00 1.80 1.85 0.96 1.11 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 54 R 8.12 3.88 0.00 2.09 2.01 0.00 3.24 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 55 L 7.88 4.08 0.00 2.05 1.72 0.94 0.41 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 56 L 8.08 4.08 0.00 1.72 1.75 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.81 4.14 0.00 4.05 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 58 S 7.84 4.39 0.00 4.08 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 59 L 8.47 4.21 0.00 1.68 1.76 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.96 4.14 0.00 3.90 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 61 A 7.60 4.01 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 62 Y 8.30 4.43 0.00 2.98 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 63 G 8.35 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.84 4.37 0.00 2.02 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 2.31 2.36 0.00 65 L 9.00 5.13 0.00 1.59 1.48 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.42 4.41 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 1.18 0.00 0.00 67 V 8.51 3.67 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 1.07 0.00 0.00 0.92 0.00 0.00 68 G 7.91 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.68 3.93 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 1.97 2.21 0.00 70 L 8.16 3.99 0.00 1.92 1.71 0.96 0.64 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 71 A 8.00 4.16 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 72 T 8.04 4.03 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 73 L 7.81 4.19 0.00 1.68 1.76 0.47 0.57 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 74 G 7.70 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 0.00 0.00 0.00 75 V 7.07 2.89 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 0.74 0.00 0.00 0.95 0.00 0.00 *77 E 8.09 4.09 0.00 2.10 1.84 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 2.36 2.45 0.00 78 Q 8.68 4.03 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 79 S 7.97 4.15 0.00 4.09 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 80 T 7.85 3.91 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 1.26 0.00 0.00 81 T 7.82 4.02 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 1.29 0.00 0.00 82 S 8.38 4.09 0.00 3.96 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 83 R 8.02 3.98 0.00 1.88 1.98 0.00 3.23 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 84 T 8.15 3.94 4.38 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 1.22 0.00 0.00 85 V 7.99 3.58 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 0.90 0.00 0.00 0.96 0.00 0.00 86 D 8.20 4.46 0.00 2.89 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 87 Q 8.19 4.13 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 88 L 7.74 4.02 0.00 1.88 1.72 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.33 4.09 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 1.36 0.00 0.00 1.02 0.00 0.00 90 D 7.95 4.41 0.00 2.83 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 91 E 7.91 4.40 0.00 2.07 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 2.29 2.54 0.00 92 G 7.54 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 93 L 8.09 4.52 0.00 1.64 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.90 5.34 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 95 A 8.78 4.75 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 96 R 8.67 4.76 0.00 1.71 1.87 0.00 3.42 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 97 S 8.45 4.59 0.00 3.87 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 98 I 7.79 4.80 1.87 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 1.28 0.93 0.91 0.00 0.00 99 S 8.76 3.83 0.00 4.03 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 *104 R 8.60 4.64 0.00 1.74 1.98 0.00 3.19 0.00 0.00 2.25 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 105 K 7.93 4.62 0.00 1.77 1.87 0.00 1.46 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 106 R 8.44 4.72 0.00 1.84 1.91 0.00 3.23 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 107 T 8.60 4.52 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 1.30 0.00 0.00 108 V 8.79 5.00 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 1.06 0.00 0.00 0.94 0.00 0.00 109 V 8.92 4.88 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 0.67 0.00 0.00 0.99 0.00 0.00 110 L 8.46 4.52 0.00 1.66 1.59 0.98 0.97 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 0.00 111 T 8.45 4.32 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 1.25 0.00 0.00 112 R 8.59 3.90 0.00 1.88 2.02 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 113 K 8.25 3.94 0.00 1.89 1.94 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.60 7.81 114 G 8.62 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 0.00 115 K 8.57 3.95 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.76 7.81 116 K 7.79 3.98 0.00 2.11 2.05 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.44 7.81 117 K 7.60 4.23 0.00 1.75 1.83 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.39 7.81 118 L 7.78 4.13 0.00 1.93 1.72 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.73 3.97 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 0.00 120 E 8.39 4.12 0.00 2.15 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 2.33 2.52 0.00 121 I 7.64 4.56 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.78 0.99 0.00 0.00 122 S 8.01 4.27 0.00 4.08 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 0.00 123 P 0.00 4.20 0.00 2.15 2.13 0.00 3.54 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 2.15 0.00 124 L 7.99 3.87 0.00 1.71 1.71 0.52 1.19 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 0.00 125 I 7.43 4.03 2.18 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.90 1.11 0.00 0.00 126 N 8.68 4.50 0.00 2.81 2.91 0.00 0.00 7.13 7.62 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 0.00 127 D 9.17 4.35 0.00 2.45 2.39 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 0.00 128 F 8.98 4.49 0.00 3.23 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 0.00 129 H 9.07 4.41 0.00 3.48 3.62 0.00 5.77 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 0.00 130 A 8.06 4.04 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 0.00 131 E 8.55 4.15 0.00 2.13 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 2.68 2.51 0.00 132 L 7.53 4.52 0.00 1.99 1.98 1.09 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.62 4.32 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 0.71 0.00 0.00 0.83 0.00 0.00 134 G 8.33 3.67 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 0.00 0.00 0.00 135 N 8.01 4.79 0.00 2.71 2.84 0.00 0.00 6.80 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 0.00 136 V 7.10 3.93 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 0.71 0.00 0.00 0.93 0.00 0.00 137 D 8.75 4.32 0.00 2.74 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 0.00 138 P 0.00 4.28 0.00 2.29 2.31 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 139 D 8.19 4.44 0.00 2.73 2.73 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 0.00 140 K 7.90 4.07 0.00 1.91 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 141 L 8.30 3.88 0.00 1.70 1.64 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.64 3.95 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 143 T 7.83 3.89 4.36 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 1.20 0.00 0.00 144 C 8.12 4.13 0.00 3.04 3.16 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 0.00 0.00 0.00 0.00 145 I 7.90 3.81 1.84 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 1.48 0.48 0.87 0.00 0.00 146 E 8.06 3.94 0.00 2.18 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 0.00 2.31 2.61 0.00 147 V 7.59 3.57 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 1.07 0.00 0.00 1.01 0.00 0.00 148 L 7.66 4.06 0.00 1.86 1.66 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.20 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.18 3.95 0.00 2.11 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 2.34 2.56 0.00 151 I 8.17 3.85 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 1.40 0.79 0.89 0.00 0.00 152 L 8.45 3.88 0.00 1.88 1.79 0.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 153 K 8.57 4.01 0.00 1.97 1.92 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 154 G 7.62 3.76 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 0.00 0.00 0.00 155 K 7.86 4.51 0.00 1.74 1.86 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 156 T 7.49 4.52 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 157 D 8.61 4.70 0.00 2.73 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 0.00 158 Y 7.81 4.09 0.00 2.87 2.68 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 * Residues marked with a * may have inaccurate shift predictions.