NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4281 8.4345 117.0992 56.0905 64.5657 174.0445 5 S 5.4969 7.7842 132.1000 58.8405 62.2120 176.0373 6 V 3.8906 7.7944 123.9035 62.3481 33.3874 177.8685 7 L 4.1469 8.0769 120.2563 56.9160 40.2995 183.6538 8 A 4.0394 8.8444 128.1646 55.4530 19.2113 180.4132 9 D 4.3140 7.9778 113.5956 56.3717 40.1728 183.6731 10 A 4.5695 7.9520 122.3959 54.1692 19.8203 179.9043 11 L 4.1887 8.3460 123.1702 59.0925 40.8366 181.3725 12 N 5.4267 7.9129 117.0115 54.9904 38.7990 180.8992 13 A 4.6432 7.8486 125.9845 55.0093 22.1387 179.5780 14 I 3.5656 7.8026 116.2945 63.2927 35.6135 180.4785 15 N 4.4228 8.8572 120.2058 56.1939 37.4657 179.4644 16 N 4.4357 7.5397 112.4885 52.8892 37.1809 176.8870 17 A 4.7071 8.5802 121.0542 54.8630 21.1644 178.9040 18 E 3.6161 8.3045 118.0507 61.4975 29.5553 182.4254 19 K 4.4401 7.4870 124.1198 61.1239 31.8529 184.9564 20 T 4.3301 8.8475 115.4333 62.8354 68.6497 176.6424 21 G 4.2081 8.0162 113.7168 46.4193 0.0000 173.6098 22 K 4.3458 7.6189 128.2363 56.1930 36.5922 173.2382 23 R 4.6102 8.5448 111.7859 59.8299 30.4037 173.0490 24 Q 3.0128 8.4080 118.0058 57.5625 27.6996 175.4993 25 V 4.3249 7.6069 111.6957 62.1081 34.5557 172.2914 26 L 4.5146 8.3997 119.3367 57.4831 42.9070 173.2329 27 I 4.2040 7.6489 117.9548 61.8985 41.4899 170.7207 28 R 4.2243 9.4404 123.4462 58.9517 27.9562 173.9809 29 P 4.9581 0.0000 0.0000 62.0726 34.9753 178.8101 30 S 5.5433 8.5089 123.3680 56.5782 62.1370 177.0630 31 S 3.6708 7.6162 121.8908 57.8449 62.6351 176.1526 32 K 4.0781 8.8517 131.6391 59.7558 31.3399 177.8263 33 V 3.8577 7.8299 122.6121 66.6803 31.6396 180.3155 34 I 3.9405 7.9979 123.1131 66.0240 35.0541 180.2502 35 I 3.9472 8.1981 123.9236 65.6952 35.0963 181.2670 36 K 4.3871 8.1219 126.8167 60.3519 31.5638 182.9189 *37 F 4.3338 8.5739 124.9223 62.2845 37.8484 179.9204 38 L 4.3271 7.9384 121.6568 58.9861 40.9399 180.4599 39 Q 4.6562 7.8540 120.7602 59.7517 29.2438 182.8521 40 V 3.8704 8.4052 125.9420 67.8835 32.0924 180.2508 41 M 4.1886 8.9654 121.9945 59.6059 30.8584 182.0381 42 Q 4.5188 8.0605 122.7653 60.8035 28.6157 182.6886 43 K 4.4144 8.1977 126.7160 59.8699 31.7101 180.3333 *44 H 4.9450 8.4655 116.0228 56.2660 29.2782 178.7019 45 G 4.1344 9.7544 108.4155 44.3238 0.0000 174.7089 *46 Y 3.5456 8.6309 125.0168 58.3093 35.2580 170.9296 47 I 4.2537 7.9425 120.1626 60.9590 38.0702 179.2986 48 G 3.8697 8.5800 111.6050 48.8446 0.0000 177.6084 49 E 4.7350 6.2109 133.3392 54.8872 32.8730 177.4869 *50 F 4.0445 8.6311 126.0673 56.3903 39.5427 173.2293 51 E 5.0644 8.6006 120.7572 55.2980 33.0748 175.0590 *52 Y 5.1308 8.3720 111.3796 58.4274 36.5382 171.3908 53 I 4.6344 8.9395 126.9048 59.7284 40.2991 177.9783 54 D 4.7121 8.3852 124.2360 54.8592 42.0093 175.4649 55 D 4.5984 8.6710 132.1779 51.7056 40.9408 172.0711 *56 H 3.8647 8.6293 112.4510 59.5820 28.4349 173.2224 57 R 4.6389 7.9252 115.7785 56.5799 31.4099 180.1026 58 S 4.4413 8.0624 112.8118 60.1275 62.3768 179.9326 59 G 3.7502 7.6605 111.4769 47.6643 0.0000 171.4224 60 K 3.9873 8.3341 121.7238 55.1437 31.1167 171.5374 61 I 5.5415 7.2403 117.8775 58.6993 41.0064 179.2430 62 V 4.4243 8.5348 122.2759 60.4769 29.9494 180.9876 63 V 5.1530 8.6103 131.1749 62.1961 32.6942 169.8325 64 Q 4.1134 7.9418 128.0065 55.1649 28.8110 176.5312 65 L 4.1376 8.4056 120.8487 52.9402 40.7992 177.5519 66 N 4.4212 8.8831 115.2296 52.8879 37.9115 177.8556 67 G 3.9771 8.6977 111.8763 45.0136 0.0000 174.0214 68 R 3.7647 8.3879 120.5331 55.3203 28.8496 173.7055 69 L 3.7037 8.4901 117.1174 56.1854 38.9686 176.8875 70 N 4.9781 8.3606 119.1848 51.8767 39.0432 177.8168 71 K 4.7319 8.0921 126.3428 53.3692 35.9212 168.9948 *72 C 3.9664 8.9193 125.2463 56.5361 28.0240 173.6023 73 G 3.7645 8.7034 115.4698 45.2913 0.0000 173.7441 74 V 4.1397 8.3822 122.1207 60.1349 32.9586 177.6481 75 I 3.9349 8.6364 124.6163 60.6404 36.4319 175.0351 76 S 3.4899 8.1596 115.1098 59.4025 60.4509 172.3068 77 P 5.2118 0.0000 0.0000 62.2188 33.4365 175.4902 78 R 4.6438 8.8378 120.1460 57.0976 29.7793 182.5056 *79 F 5.4531 7.8111 131.8628 59.2500 39.2365 171.0478 80 N 5.1064 7.9796 126.9420 52.2247 41.3961 172.6360 *81 V 4.0754 8.4557 113.8253 64.0391 34.7522 166.6736 82 K 4.3702 8.0170 121.4050 58.1681 32.2638 176.3486 83 I 3.5809 8.2943 119.4019 59.9357 34.9566 175.5184 84 G 3.9441 9.4869 109.3829 50.7957 0.0000 175.4522 85 D 4.8228 8.7857 124.7155 53.3145 39.2198 184.2743 86 I 3.4151 8.2397 116.9044 64.0267 36.7155 176.4034 87 E 4.1289 7.6771 122.3936 61.6525 29.5932 182.1814 88 K 4.4448 9.0863 128.1441 60.0447 32.1079 181.4815 *89 W 4.5337 7.9384 123.6583 60.0915 27.6108 179.4037 90 T 4.5634 7.5832 113.4426 64.4271 67.7541 180.7109 91 A 4.4647 8.1905 126.8694 55.3533 19.1270 179.7451 92 N 4.4342 7.8806 114.8486 55.5196 37.8333 182.0775 93 L 4.2201 7.2033 117.8419 55.2762 41.3848 180.8544 94 L 4.4314 8.4211 121.4968 54.2680 40.6749 175.1112 95 P 4.8242 0.0000 0.0000 60.6580 31.0019 176.6743 96 A 4.0570 8.4382 128.3963 54.4174 18.9412 176.3237 97 R 4.0775 7.5071 121.7896 57.0288 30.4597 180.7669 98 Q 3.3907 8.4496 130.1257 54.8610 26.9550 177.9062 *99 F 3.4937 8.8528 111.2409 58.6428 37.9069 175.0221 100 G 4.0489 7.1733 112.5155 45.1725 0.0000 173.3078 *101 Y 4.3674 7.9274 116.2842 56.9493 40.5397 176.7003 102 V 4.5414 7.6825 127.1448 64.9689 33.5116 174.9213 103 I 3.6886 7.1790 117.8783 63.7459 32.1558 176.7137 104 L 4.2200 7.9245 126.7455 56.1322 41.4532 180.2530 105 T 4.2880 9.1524 109.9060 62.6207 69.8541 173.4551 106 T 3.4230 8.6856 107.6488 64.7458 65.3519 179.5694 107 S 3.8988 9.4473 124.9139 59.1922 62.9984 170.4005 108 A 4.4622 7.8499 123.7341 51.2930 19.8243 174.8449 109 G 3.9926 8.9553 118.5122 46.2288 0.0000 174.7613 110 I 3.9660 8.2703 124.0592 59.8874 34.0249 172.8157 111 M 4.8848 8.4473 127.2196 52.6443 35.1240 174.0618 112 D 5.2071 8.0465 115.3673 53.9271 42.8975 174.2890 *113 H 4.0332 8.4465 119.3674 57.8381 28.7854 177.1469 114 E 4.5743 8.2607 116.1440 57.8504 31.9003 181.6115 115 E 4.3030 8.0625 114.0725 57.9385 30.0313 179.4447 116 A 4.7271 7.8780 119.0856 52.6302 20.5672 178.3835 117 R 4.0787 8.5565 116.8144 60.0804 30.6287 183.8144 118 R 4.0956 7.9568 109.0479 55.1718 30.9212 183.7418 119 K 3.9939 9.2373 126.4594 58.1291 31.2769 175.4814 *120 H 3.9298 7.9478 126.8647 54.1377 26.6995 171.2686 121 V 4.3548 7.8096 125.8684 59.3074 33.9384 175.5326 122 S 4.7182 7.8579 111.3366 59.8219 67.0043 172.2408 123 G 4.1893 8.3607 111.0534 46.8301 0.0000 178.2013 124 K 4.3472 8.8844 130.7817 54.4877 32.5603 177.2459 125 I 4.5174 8.0277 116.4335 63.5182 36.4323 181.4190 126 L 3.5718 6.9230 122.5002 56.5299 42.3115 179.1750 127 G 3.9914 7.3588 106.1608 48.2337 0.0000 172.4630 *128 F 4.4486 7.7646 115.6765 56.8728 41.6996 170.0777 129 V 4.5349 8.8760 126.4797 59.7642 33.8779 173.1051 *130 Y 4.0212 8.4873 119.7989 57.0763 36.5670 171.0896 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 S 8.43 4.43 0.00 3.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.78 5.50 0.00 3.84 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 6 V 7.79 3.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.93 0.00 0.00 7 L 8.08 4.15 0.00 1.58 1.46 0.92 0.48 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 8 A 8.84 4.04 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 9 D 7.98 4.31 0.00 2.70 2.60 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 10 A 7.95 4.57 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.35 4.19 0.00 1.67 1.70 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.91 5.43 0.00 2.84 2.71 0.00 0.00 6.70 7.41 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 13 A 7.85 4.64 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.80 3.57 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 1.16 0.70 0.91 0.00 0.00 15 N 8.86 4.42 0.00 2.65 2.89 0.00 0.00 7.32 6.47 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 16 N 7.54 4.44 0.00 2.89 2.74 0.00 0.00 6.92 7.34 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 17 A 8.58 4.71 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 18 E 8.30 3.62 0.00 1.98 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 1.98 0.00 19 K 7.49 4.44 0.00 2.04 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 20 T 8.85 4.33 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 1.21 0.00 0.00 21 G 8.02 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 0.00 0.00 0.00 22 K 7.62 4.35 0.00 1.75 1.42 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.10 0.81 7.81 23 R 8.54 4.61 0.00 1.76 1.74 0.00 3.38 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 24 Q 8.41 3.01 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 25 V 7.61 4.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 26 L 8.40 4.51 0.00 1.66 1.54 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.65 4.20 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 1.27 0.84 0.91 0.00 0.00 28 R 9.44 4.22 0.00 1.82 1.54 0.00 3.19 0.00 0.00 3.26 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 29 P 0.00 4.96 0.00 2.01 1.89 0.00 3.88 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.57 0.00 30 S 8.51 5.54 0.00 3.73 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 31 S 7.62 3.67 0.00 3.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.85 4.08 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.09 7.81 33 V 7.83 3.86 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 34 I 8.00 3.94 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 1.50 0.53 0.91 0.00 0.00 35 I 8.20 3.95 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 1.38 0.53 0.91 0.00 0.00 36 K 8.12 4.39 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *37 F 8.57 4.33 0.00 2.25 2.32 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 38 L 7.94 4.33 0.00 1.72 1.61 0.92 1.09 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 39 Q 7.85 4.66 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 40 V 8.41 3.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 41 M 8.97 4.19 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 42 Q 8.06 4.52 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.83 0.00 0.00 0.00 0.00 0.00 2.38 1.90 0.00 43 K 8.20 4.41 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.34 7.81 *44 H 8.47 4.94 0.00 2.97 2.99 0.00 7.15 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.75 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 0.00 0.00 0.00 *46 Y 8.63 3.55 0.00 2.51 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 0.00 0.00 0.00 0.00 47 I 7.94 4.25 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 1.10 0.91 0.00 0.00 48 G 8.58 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 0.00 0.00 0.00 49 E 6.21 4.73 0.00 1.65 1.82 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 2.12 2.09 0.00 *50 F 8.63 4.04 0.00 2.29 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 0.00 0.00 0.00 51 E 8.60 5.06 0.00 1.84 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 2.19 1.82 0.00 *52 Y 8.37 5.13 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.94 4.63 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 1.09 0.66 0.91 0.00 0.00 54 D 8.39 4.71 0.00 2.41 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 55 D 8.67 4.60 0.00 2.62 2.28 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 0.00 *56 H 8.63 3.86 0.00 2.92 2.87 0.00 7.11 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.93 4.64 0.00 1.68 1.87 0.00 3.22 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 58 S 8.06 4.44 0.00 3.62 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 59 G 7.66 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 0.00 0.00 0.00 60 K 8.33 3.99 0.00 1.88 1.75 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.24 7.81 61 I 7.24 5.54 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 1.27 2.26 0.91 0.00 0.00 62 V 8.53 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 63 V 8.61 5.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 64 Q 7.94 4.11 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.20 6.75 0.00 0.00 0.00 0.00 0.00 2.38 1.97 0.00 65 L 8.41 4.14 0.00 1.56 1.47 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.88 4.42 0.00 2.92 2.76 0.00 0.00 6.58 7.51 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 67 G 8.70 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 0.00 0.00 0.00 68 R 8.39 3.76 0.00 1.84 1.65 0.00 3.39 0.00 0.00 3.26 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 69 L 8.49 3.70 0.00 1.83 1.67 0.92 0.83 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 70 N 8.36 4.98 0.00 2.72 2.63 0.00 0.00 6.51 7.44 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 71 K 8.09 4.73 0.00 1.70 1.52 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.98 7.81 *72 C 8.92 3.97 0.00 2.88 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 73 G 8.70 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 74 V 8.38 4.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 75 I 8.64 3.93 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 1.27 1.15 0.91 0.00 0.00 76 S 8.16 3.49 0.00 3.70 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 77 P 0.00 5.21 0.00 2.01 1.85 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.56 0.00 78 R 8.84 4.64 0.00 1.78 1.32 0.00 3.39 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *79 F 7.81 5.45 0.00 2.41 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 0.00 0.00 0.00 80 N 7.98 5.11 0.00 2.67 2.60 0.00 0.00 6.69 7.67 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 *81 V 8.46 4.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 82 K 8.02 4.37 0.00 1.85 1.93 0.00 1.90 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 0.98 7.81 83 I 8.29 3.58 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 1.35 0.44 0.91 0.00 0.00 84 G 9.49 3.94 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 0.00 0.00 0.00 85 D 8.79 4.82 0.00 2.58 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 0.00 0.00 0.00 86 I 8.24 3.42 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 1.27 0.48 0.91 0.00 0.00 87 E 7.68 4.13 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 88 K 9.09 4.44 0.00 1.65 1.84 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *89 W 7.94 4.53 0.00 2.50 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 0.00 0.00 0.00 0.00 90 T 7.58 4.56 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 1.21 0.00 0.00 91 A 8.19 4.46 1.30 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 0.00 0.00 92 N 7.88 4.43 0.00 2.79 2.76 0.00 0.00 6.87 7.38 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 93 L 7.20 4.22 0.00 1.70 1.49 0.92 0.90 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 94 L 8.42 4.43 0.00 1.66 1.56 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.82 0.00 2.07 2.20 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.36 0.00 96 A 8.44 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.51 4.08 0.00 1.85 1.78 0.00 3.41 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 98 Q 8.45 3.39 0.00 2.27 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.96 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 *99 F 8.85 3.49 0.00 2.38 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 0.00 0.00 0.00 100 G 7.17 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *101 Y 7.93 4.37 0.00 2.19 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 0.00 0.00 0.00 0.00 102 V 7.68 4.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.93 0.00 0.00 103 I 7.18 3.69 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 1.27 1.98 0.91 0.00 0.00 104 L 7.92 4.22 0.00 1.56 1.64 0.92 0.68 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 0.00 105 T 9.15 4.29 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 1.21 0.00 0.00 106 T 8.69 3.42 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 1.21 0.00 0.00 107 S 9.45 3.90 0.00 3.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.85 4.46 1.24 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 0.00 0.00 109 G 8.96 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 0.00 0.00 0.00 110 I 8.27 3.97 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 1.27 0.73 0.91 0.00 0.00 111 M 8.45 4.88 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 112 D 8.05 5.21 0.00 2.56 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 *113 H 8.45 4.03 0.00 2.93 3.01 0.00 7.12 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.26 4.57 0.00 1.85 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 2.20 1.83 0.00 115 E 8.06 4.30 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 116 A 7.88 4.73 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.56 4.08 0.00 1.84 1.87 0.00 3.30 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 118 R 7.96 4.10 0.00 1.79 1.09 0.00 3.25 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 119 K 9.24 3.99 0.00 1.77 1.68 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *120 H 7.95 3.93 0.00 2.93 2.90 0.00 7.14 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.81 4.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 122 S 7.86 4.72 0.00 3.60 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 0.00 123 G 8.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.88 4.35 0.00 1.70 1.69 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.00 7.81 125 I 8.03 4.52 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 1.27 0.65 0.91 0.00 0.00 126 L 6.92 3.57 0.00 1.70 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.36 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 0.00 0.00 0.00 *128 F 7.76 4.45 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.88 4.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 *130 Y 8.49 4.02 0.00 2.39 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.