NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 L 4.5671 8.0433 122.7754 55.4073 43.5262 174.8644 13 M 4.7713 9.4320 127.1366 52.4552 35.4415 170.1597 14 V 4.7992 9.2194 123.3917 61.2683 35.1640 173.7611 15 K 4.7973 9.4593 128.5942 54.5160 34.8717 175.6214 16 V 4.7910 8.0431 124.1423 61.0824 34.3781 173.9791 17 L 4.9548 9.0405 128.2276 52.9478 44.7537 174.9567 18 D 5.1186 8.8819 122.9796 53.2224 42.0718 176.4718 19 A 4.4993 9.2544 128.0796 52.9742 19.0607 178.2815 20 V 3.8938 8.5555 114.4085 64.4635 32.0017 176.6161 21 R 4.4996 8.5675 116.4555 54.7991 31.9505 175.5593 22 G 3.9200 8.2676 105.7768 45.8147 0.0000 172.9934 23 S 4.8311 7.4680 111.4481 55.7867 66.9189 172.4661 24 P 4.7089 0.0000 0.0000 62.8608 32.0616 176.5249 25 A 4.3868 9.0039 124.4757 50.4242 17.8393 176.9529 26 I 3.8263 8.2649 114.7025 62.2655 38.8245 175.8837 27 N 4.0956 8.2766 121.6091 54.6124 37.6097 173.9861 28 V 4.1277 7.4531 116.6588 61.5561 33.6095 174.7062 29 A 4.4164 8.5812 130.0506 51.7689 19.4685 176.0064 30 V 4.7731 9.1996 123.0308 61.5948 34.1818 174.2853 31 H 5.1599 9.2728 125.3703 54.1801 32.0437 173.9738 32 V 5.1339 8.5358 119.6538 61.4470 35.1286 174.3350 33 F 5.4625 9.3711 124.4583 55.7852 43.6172 173.5529 34 R 4.3832 9.4828 121.5469 53.8852 32.9329 174.6313 35 K 3.2215 7.8152 127.4901 56.0955 32.4788 176.7699 36 A 4.2381 7.6779 130.6897 50.8337 19.8643 176.9818 37 A 3.9895 8.1766 121.1031 54.9196 18.8303 178.5362 38 D 4.6458 7.9676 114.5542 53.9861 40.9659 177.9725 39 D 4.2731 7.6139 116.1498 55.1418 40.4109 174.2442 40 T 4.2174 7.4803 109.3283 61.2106 70.6214 173.6676 41 W 4.7424 8.5078 122.4311 55.1244 30.4977 175.5553 42 E 4.4559 8.7349 127.2290 54.9460 30.3153 174.5092 43 P 4.3907 0.0000 0.0000 63.2570 31.9290 175.3905 44 F 4.9289 8.4217 119.6140 59.6944 43.7689 173.9337 45 A 4.2452 7.3611 117.0065 52.0383 22.2831 175.3844 46 S 4.6432 9.4071 114.6837 57.8952 66.2247 173.3678 47 G 4.3772 6.0449 108.2630 44.8904 0.0000 171.9948 48 K 5.0956 7.7067 119.7227 54.2226 36.5212 176.4179 49 T 3.9301 9.0328 118.0588 62.7309 69.7575 173.8409 50 S 4.8958 8.7287 127.6724 57.3558 64.5455 170.9355 51 E 4.8655 8.9014 126.9375 54.9737 29.8066 173.3326 52 S 4.4284 8.3145 124.1436 57.4201 65.7259 170.7621 53 S 4.0397 8.5433 124.0458 58.3717 61.0019 170.5668 54 D 4.7837 7.7246 121.1920 53.0585 43.0410 178.7666 55 S 4.3233 8.3746 117.7930 59.8257 62.0586 179.9620 *56 H 4.9692 8.8703 123.2890 53.9560 29.5032 170.2108 57 G 4.9061 7.7340 106.4078 45.9495 0.0000 172.8375 58 L 4.5840 8.5289 124.1272 54.6843 42.2316 174.9713 59 T 4.9262 8.4961 121.7468 59.4831 70.5027 171.6225 60 T 4.1591 8.1795 124.5929 60.7295 69.6275 172.3562 61 E 4.4968 8.5182 119.9100 55.6534 29.0116 176.2135 62 E 4.7207 8.0199 121.5501 54.7856 33.6675 177.9330 63 E 4.6622 8.4415 115.6218 55.5392 29.4192 178.0001 *64 F 3.9912 7.9491 118.5174 57.4878 38.5272 177.8087 65 V 4.1688 8.0938 120.2539 59.0212 33.2753 175.5590 66 E 4.1642 8.3322 120.9926 56.7518 30.1652 175.1823 67 G 4.0887 8.6757 108.0193 43.0295 0.0000 173.2755 68 I 4.0986 8.1739 122.5380 61.5229 38.1507 174.6942 69 Y 5.0254 9.0440 125.3775 55.8994 41.2159 174.6496 70 K 4.8437 8.8272 123.3724 54.4855 35.2069 174.7540 71 V 4.8774 9.0156 127.5201 61.3077 33.9496 173.7695 72 E 4.9176 9.3184 128.4281 54.7020 32.0506 174.9545 73 I 4.5663 8.6732 126.1147 59.6935 39.0785 175.4768 74 D 4.4851 9.1617 128.6940 53.6041 38.6348 176.5499 75 T 3.9475 7.8487 115.0697 63.7541 69.3953 176.5911 76 K 4.0921 8.0924 122.1312 59.7378 32.3466 178.7813 77 S 4.1498 8.4394 115.3466 61.5483 61.3779 175.8206 78 Y 3.8843 7.6284 121.3088 60.8389 38.3845 178.6189 79 W 4.5706 8.3379 119.4337 59.3599 29.0761 178.9087 80 K 4.2672 8.6380 119.9263 58.8818 31.3482 178.9838 81 A 4.1188 7.8888 119.0637 53.6630 18.2123 178.4417 82 L 4.6431 6.8539 114.1661 53.6872 42.4543 176.5435 83 G 4.0005 8.1584 105.7519 46.4983 0.0000 173.9025 84 I 4.3854 8.0581 120.5303 59.0521 39.2542 175.3303 85 S 4.5008 8.5726 120.4260 56.3971 61.1519 171.7155 86 P 4.4533 0.0000 0.0000 61.7669 32.5835 176.6641 87 F 3.8792 8.3962 120.6094 60.7812 39.3445 175.4876 88 H 4.5810 7.7761 115.6741 54.4007 29.8460 175.4062 89 E 3.9962 8.7126 122.4005 59.2092 29.5037 176.3757 90 H 4.6983 7.1943 111.2888 55.4535 30.8727 173.4777 91 A 4.3824 7.9060 119.8676 49.7223 21.2147 175.1379 92 E 5.1270 8.8124 119.9557 54.4466 32.9897 175.8479 93 V 4.3879 8.7676 120.8278 61.4523 34.6558 174.0493 94 V 5.0709 8.5230 128.4005 61.1835 33.2046 174.5491 95 F 5.0607 8.8878 121.3923 56.2705 41.7534 172.9563 96 T 4.7251 8.5935 116.6483 62.5008 69.0243 174.6738 97 A 4.1680 8.4470 129.4412 53.5903 19.0119 178.0463 98 N 5.1466 7.5311 110.8433 52.6223 39.3637 175.1370 99 D 4.4876 8.1420 115.8669 55.8865 42.5900 176.0735 100 S 4.5454 7.1209 113.7360 57.6507 63.4827 174.5376 101 G 3.9630 7.9634 110.3328 44.1055 0.0000 169.4850 102 P 4.5242 0.0000 0.0000 62.8440 31.9244 175.9131 103 R 4.6034 8.2135 118.8969 54.6482 34.7264 174.3385 104 R 4.3977 8.5602 122.4259 55.0325 31.9933 174.2962 105 Y 5.0113 8.5297 124.2256 56.4799 40.9762 174.7000 106 T 4.8913 8.4510 120.8572 61.8471 71.5988 173.2106 107 I 4.5489 9.4324 129.1904 59.8420 39.0343 174.6636 108 A 4.9584 9.0539 130.6318 50.4925 20.6176 175.3510 109 A 5.1867 9.1926 125.2483 50.1082 22.1366 174.7457 110 L 5.1668 8.9225 124.0829 53.1411 45.1622 174.9930 111 L 5.4195 9.0909 125.8946 53.2401 44.8415 175.7887 112 S 5.0838 9.5005 119.3572 55.9037 66.7880 173.3345 113 P 3.2173 0.0000 0.0000 65.3705 31.0823 177.6750 114 Y 4.5233 7.5292 112.2115 56.9552 38.4857 175.1253 115 S 4.7225 8.0319 112.8029 58.1024 65.8760 174.0909 116 Y 5.5576 7.8827 118.9181 56.1041 40.9170 173.8274 117 S 4.9940 9.2533 114.5605 56.7852 66.8970 172.7410 118 T 5.1211 8.7000 111.3602 60.3364 71.0784 173.1083 119 T 4.7257 9.3777 121.9999 61.5709 72.0124 172.6535 120 A 4.9494 8.6070 127.4615 50.5287 20.9983 176.6514 121 V 4.1238 8.5242 121.8245 61.1914 34.0170 174.5342 122 V 4.3136 8.3006 128.7282 61.7169 32.3514 174.9777 123 T 4.5214 8.4005 125.2191 61.9057 71.3609 173.5975 124 N 4.8212 8.4209 122.8731 51.7551 39.7163 173.2473 125 P 4.3969 0.0000 0.0000 62.9058 31.4163 176.3069 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 12 L 8.04 4.57 0.00 1.85 1.73 1.02 0.67 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 13 M 9.43 4.77 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 14 V 9.22 4.80 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 1.02 0.00 0.00 0.94 0.00 0.00 15 K 9.46 4.80 0.00 1.67 1.66 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.33 7.81 16 V 8.04 4.79 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 0.77 0.00 0.00 0.83 0.00 0.00 17 L 9.04 4.95 0.00 1.59 1.54 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.88 5.12 0.00 2.74 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 9.25 4.50 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 20 V 8.56 3.89 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 0.94 0.00 0.00 0.91 0.00 0.00 21 R 8.57 4.50 0.00 1.92 2.00 0.00 3.39 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 22 G 8.27 3.92 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 0.00 0.00 0.00 23 S 7.47 4.83 0.00 3.89 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 24 P 0.00 4.71 0.00 2.07 2.08 0.00 3.77 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 1.99 1.97 0.00 25 A 9.00 4.39 0.64 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 26 I 8.26 3.83 1.89 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 1.36 0.73 0.92 0.00 0.00 27 N 8.28 4.10 0.00 2.91 2.97 0.00 0.00 7.12 7.17 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 28 V 7.45 4.13 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 0.75 0.00 0.00 0.33 0.00 0.00 29 A 8.58 4.42 1.29 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 0.00 0.00 30 V 9.20 4.77 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 0.97 0.00 0.00 0.88 0.00 0.00 31 H 9.27 5.16 0.00 3.18 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.54 5.13 2.34 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 1.42 0.00 0.00 1.03 0.00 0.00 33 F 9.37 5.46 0.00 2.82 3.36 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 34 R 9.48 4.38 0.00 0.94 1.66 0.00 3.22 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.19 0.00 35 K 7.82 3.22 0.00 0.79 1.15 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.60 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.99 0.68 7.81 36 A 7.68 4.24 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 37 A 8.18 3.99 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 38 D 7.97 4.65 0.00 2.67 2.56 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 39 D 7.61 4.27 0.00 2.74 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 40 T 7.48 4.22 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 1.24 0.00 0.00 41 W 8.51 4.74 0.00 2.93 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.73 4.46 0.00 2.05 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 2.38 2.35 0.00 43 P 0.00 4.39 0.00 1.94 1.79 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 44 F 8.42 4.93 0.00 3.11 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 45 A 7.36 4.25 1.08 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 0.00 0.00 46 S 9.41 4.64 0.00 3.68 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 47 G 6.04 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 0.00 0.00 0.00 0.00 48 K 7.71 5.10 0.00 1.56 1.63 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.39 7.81 49 T 9.03 3.93 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 1.13 0.00 0.00 50 S 8.73 4.90 0.00 3.39 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 51 E 8.90 4.87 0.00 1.75 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 2.21 1.72 0.00 52 S 8.31 4.43 0.00 3.59 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 53 S 8.54 4.04 0.00 3.77 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 54 D 7.72 4.78 0.00 2.62 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 55 S 8.37 4.32 0.00 3.67 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 *56 H 8.87 4.97 0.00 2.57 3.04 0.00 7.12 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 57 G 7.73 4.91 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 58 L 8.53 4.58 0.00 1.35 1.58 0.92 0.61 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 59 T 8.50 4.93 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 60 T 8.18 4.16 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 61 E 8.52 4.50 0.00 1.95 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 2.13 1.83 0.00 62 E 8.02 4.72 0.00 1.95 1.73 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 2.13 1.83 0.00 63 E 8.44 4.66 0.00 1.95 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 2.13 1.83 0.00 *64 F 7.95 3.99 0.00 2.29 2.17 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 65 V 8.09 4.17 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 0.96 0.00 0.00 1.07 0.00 0.00 66 E 8.33 4.16 0.00 1.96 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 2.31 2.34 0.00 67 G 8.68 4.09 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 0.00 0.00 0.00 68 I 8.17 4.10 1.71 0.00 0.00 0.78 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 0.83 1.07 0.00 0.00 69 Y 9.04 5.03 0.00 1.97 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.83 4.84 0.00 0.79 0.82 0.00 0.98 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.88 0.97 7.81 71 V 9.02 4.88 2.16 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 1.03 0.00 0.00 1.13 0.00 0.00 72 E 9.32 4.92 0.00 2.00 1.76 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 1.95 2.07 0.00 73 I 8.67 4.57 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.97 0.78 0.00 0.00 74 D 9.16 4.49 0.00 2.69 2.56 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 75 T 7.85 3.95 4.43 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 1.16 0.00 0.00 76 K 8.09 4.09 0.00 2.06 2.00 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.58 7.81 77 S 8.44 4.15 0.00 3.95 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 78 Y 7.63 3.88 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.34 4.57 0.00 3.50 3.18 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 80 K 8.64 4.27 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.49 7.81 81 A 7.89 4.12 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 82 L 6.85 4.64 0.00 1.82 1.72 0.66 0.77 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 83 G 8.16 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 0.00 0.00 0.00 84 I 8.06 4.39 2.15 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.35 0.83 0.00 0.00 85 S 8.57 4.50 0.00 3.87 3.88 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 86 P 0.00 4.45 0.00 2.30 2.19 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 87 F 8.40 3.88 0.00 1.65 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 88 H 7.78 4.58 0.00 3.27 3.45 0.00 5.95 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 89 E 8.71 4.00 0.00 1.74 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 2.17 2.15 0.00 90 H 7.19 4.70 0.00 3.20 3.24 0.00 5.09 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.91 4.38 0.24 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 92 E 8.81 5.13 0.00 1.84 1.83 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 2.20 2.40 0.00 93 V 8.77 4.39 2.16 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 0.96 0.00 0.00 0.95 0.00 0.00 94 V 8.52 5.07 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 1.13 0.00 0.00 0.88 0.00 0.00 95 F 8.89 5.06 0.00 3.11 3.08 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 96 T 8.59 4.73 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 1.29 0.00 0.00 97 A 8.45 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.53 5.15 0.00 2.79 2.90 0.00 0.00 6.74 8.08 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 99 D 8.14 4.49 0.00 2.70 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 S 7.12 4.55 0.00 3.90 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 0.00 101 G 7.96 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 0.00 0.00 0.00 102 P 0.00 4.52 0.00 2.07 2.02 0.00 3.66 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 2.04 2.13 0.00 103 R 8.21 4.60 0.00 1.63 1.12 0.00 3.24 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 104 R 8.56 4.40 0.00 1.75 1.78 0.00 2.99 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 105 Y 8.53 5.01 0.00 2.98 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 0.00 106 T 8.45 4.89 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 1.20 0.00 0.00 107 I 9.43 4.55 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.79 0.88 0.00 0.00 108 A 9.05 4.96 1.23 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 0.00 0.00 109 A 9.19 5.19 1.17 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 0.00 0.00 110 L 8.92 5.17 0.00 1.79 1.56 1.04 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.09 5.42 0.00 1.86 2.02 0.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.50 5.08 0.00 3.74 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 0.00 113 P 0.00 3.22 0.00 2.07 1.75 0.00 3.17 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.44 0.00 114 Y 7.53 4.52 0.00 2.81 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 0.00 115 S 8.03 4.72 0.00 3.96 3.92 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 0.00 116 Y 7.88 5.56 0.00 3.03 2.99 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 0.00 117 S 9.25 4.99 0.00 3.91 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 0.00 118 T 8.70 5.12 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 1.36 0.00 0.00 119 T 9.38 4.73 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 0.00 120 A 8.61 4.95 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 0.00 121 V 8.52 4.12 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 0.90 0.00 0.00 0.91 0.00 0.00 122 V 8.30 4.31 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 0.48 0.00 0.00 0.95 0.00 0.00 123 T 8.40 4.52 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 1.16 0.00 0.00 124 N 8.42 4.82 0.00 2.69 2.70 0.00 0.00 7.05 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.40 0.00 2.07 1.93 0.00 3.73 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 2.01 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.