NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3815 8.1849 120.9993 55.7750 42.0082 179.0579 14 E 4.3516 7.9956 118.3796 55.5535 27.3810 173.6291 15 E 4.5384 8.8809 117.3300 56.2922 31.3278 177.1497 16 Y 4.5563 7.8845 116.1541 58.6099 40.0718 175.6010 17 A 4.6180 7.6157 120.2356 49.5083 22.0685 176.7280 18 S 4.3472 8.8916 116.9248 58.0815 65.0715 175.5921 19 A 3.9960 8.5541 124.7284 55.8541 18.0315 179.0398 20 E 3.8347 8.4594 116.9380 59.4135 29.5447 178.6151 21 D 4.4411 8.6476 118.4873 57.6736 41.1314 179.8538 22 I 3.7658 7.5996 119.9677 64.5667 37.2233 178.7940 23 S 4.2264 8.2913 115.8647 61.0869 62.3283 176.8156 24 R 3.8644 8.1321 121.5902 59.3515 29.8797 178.6267 25 V 3.7415 7.7626 112.1404 64.5995 31.6643 178.4214 26 R 4.1113 7.9199 117.5514 59.6627 29.8101 178.8004 27 A 4.1960 7.8940 118.0260 54.1137 18.3892 178.3332 28 E 4.5362 8.9053 116.2717 55.5209 30.9931 176.0257 29 L 4.2336 7.0898 120.2318 54.8921 42.4632 176.3083 30 L 4.3411 9.5356 126.4152 55.5602 42.7373 176.5615 31 T 4.3027 7.8512 112.4829 62.2561 68.9042 173.6558 32 C 4.2485 8.7198 123.3526 60.1897 25.7451 173.1757 33 P 4.3256 0.0000 0.0000 64.9577 31.3535 176.8376 34 E 4.4892 7.8611 117.0675 55.3299 30.2596 175.2755 35 L 3.8571 7.4878 119.9597 55.3665 42.6832 176.3521 36 N 4.4377 8.4982 123.8424 53.5220 38.0785 175.3855 37 T 4.1942 8.1513 115.8104 62.8177 69.2374 176.4799 38 S 4.3478 7.9231 117.5417 60.0848 63.3039 174.5486 39 L 4.5219 8.0154 118.6095 54.6184 43.5503 176.9197 40 A 4.4969 8.1757 118.8346 51.3504 20.3699 176.2141 41 G 4.3265 8.2746 102.1485 44.7236 0.0000 172.1461 42 T 4.8985 8.3709 114.0674 61.5697 71.7411 174.1255 43 I 4.3430 8.4134 126.5924 61.2414 37.4345 175.5063 44 I 4.4875 8.5899 125.6000 60.8344 40.2425 174.8285 45 E 4.9423 7.7477 119.8043 55.5985 32.6562 174.0101 46 I 5.0959 8.1532 118.2856 60.1160 41.4130 172.9150 47 D 4.3940 8.8286 121.2534 53.1606 44.5636 174.4310 48 K 3.9130 8.7260 122.0670 58.0953 32.1499 175.5686 49 N 4.4035 9.3350 121.2102 53.5095 36.3051 172.5276 50 Y 5.2490 7.9324 118.0568 56.5700 42.7247 173.4416 51 A 4.6797 7.4951 125.5643 50.4595 23.4906 174.9007 52 K 4.8989 8.9371 121.7156 54.5732 35.6087 175.2885 53 S 5.2321 9.1160 120.8584 56.7113 67.4511 172.5011 54 I 4.9458 8.5594 112.6983 58.9810 41.0864 173.9402 55 L 4.9821 8.8860 127.4546 53.2523 44.3389 174.8987 56 I 4.5868 8.2501 121.0902 59.6986 38.7031 175.8042 57 T 4.2074 8.3513 118.4718 61.7207 69.3980 173.8107 58 T 4.7024 8.0499 113.2254 59.4508 72.0489 174.0311 59 S 4.2647 8.4498 115.3478 60.3163 63.1169 174.4931 60 E 4.1203 7.4672 121.0640 56.7330 29.0807 177.0666 *62 V 4.0706 7.6400 110.0879 61.4471 32.8602 175.7111 63 A 4.3732 9.1862 125.5596 53.4713 19.6004 176.5501 64 D 4.7107 7.5662 112.8505 52.5947 42.2807 174.5250 65 D 4.7639 8.6251 117.5837 53.7837 39.3069 176.7136 66 Q 4.3712 8.8156 117.1920 56.0526 29.5551 176.5226 67 G 3.9068 8.2625 106.8608 44.9775 0.0000 172.5170 68 L 4.4860 7.9212 122.3618 54.6996 43.3998 175.4450 69 I 4.6076 8.0317 127.1089 59.5999 38.6962 175.5569 70 F 4.3955 9.2248 129.5078 58.9777 39.8230 175.7695 71 D 4.2340 8.4495 125.4206 57.2780 40.4542 178.6074 72 A 3.8295 6.7030 120.6568 55.0142 18.1804 179.4785 73 F 3.8424 7.9088 116.0913 60.4796 38.8701 177.9868 74 I 3.6710 7.9254 119.8684 64.1125 36.8510 178.1269 75 F 3.8179 8.1151 120.8006 61.1055 39.2499 176.5300 76 A 3.9578 8.7858 120.9695 55.3678 18.0701 179.4550 77 A 4.5931 8.3595 120.0495 54.8679 18.3759 179.6965 78 A 3.7926 7.8361 119.3525 55.1533 18.5045 179.3076 79 N 3.9302 8.2682 115.8706 56.7798 38.8804 176.5080 80 Y 4.2554 8.1307 121.1290 60.8862 39.1073 178.2923 81 V 3.2774 7.9680 119.9905 64.3289 30.9963 178.0170 82 A 3.8814 8.1319 121.7691 55.3526 18.1850 179.6947 83 Q 3.8511 7.9443 115.8070 58.9742 28.5150 178.8999 84 A 3.8981 7.8041 121.4096 54.7710 18.7295 179.5055 85 S 4.1803 7.8905 112.6213 60.8646 62.8033 176.2438 86 I 3.9893 7.0803 122.1720 60.9049 38.3955 175.3222 87 N 4.0750 8.1921 116.3412 54.4396 37.6172 173.6879 88 K 4.5129 7.5844 115.0843 54.4937 34.4437 177.0476 89 E 3.9418 8.4828 122.4054 57.8585 29.7674 176.3630 90 F 5.0977 7.6760 118.4451 55.7352 40.7009 174.5833 91 S 5.1648 8.3642 116.6861 57.1177 66.4020 173.1675 92 V 4.6955 8.8087 113.3870 60.1113 36.5865 173.8095 93 I 4.9956 8.3086 115.1865 59.5520 39.0028 175.6660 94 I 4.4559 8.4316 116.5053 60.5585 39.1627 175.3831 95 G 4.3282 7.6519 106.2738 45.9525 0.0000 172.4803 96 S 5.2720 8.5129 114.8239 56.8802 66.4929 173.8601 97 K 4.3372 9.1809 122.0974 55.2789 34.4952 174.5407 98 C 4.8753 8.4179 124.2700 57.6274 31.6511 173.4814 99 F 4.4628 8.5379 120.3866 55.6238 41.5449 174.6109 100 F 5.0216 8.7195 122.4673 56.0223 38.9486 175.0521 101 Y 4.4556 8.4378 122.2525 60.5573 38.2606 176.5180 102 A 4.7076 7.6799 119.4841 50.2351 22.0019 173.8053 103 P 4.7323 0.0000 0.0000 62.3670 32.8415 176.1145 104 L 4.4266 8.5203 120.7611 54.6321 43.4051 175.5166 105 K 4.9321 8.6735 121.7765 54.0654 35.2058 175.3370 106 L 4.0517 8.6971 129.0876 56.9092 42.3316 176.7588 107 G 4.1336 8.7941 114.2038 45.5573 0.0000 173.8504 108 D 4.7256 8.4602 120.3482 54.2057 42.1457 175.7391 109 V 4.7599 8.2811 121.3598 59.8576 33.5501 174.6136 110 L 4.6366 8.8870 127.9029 54.0393 43.9070 174.8481 111 E 4.9753 9.4796 126.0080 54.8198 31.6828 174.7778 112 L 5.2550 8.8076 125.3299 53.0168 44.6983 175.6088 113 E 5.0784 9.1059 121.2919 54.4374 33.5948 174.7059 114 A 5.2822 8.6817 124.8078 50.4455 22.6356 174.6776 115 H 5.3393 9.3502 118.6405 53.9544 32.5606 172.5099 116 A 4.8780 8.8771 126.1769 50.7824 19.6816 177.0210 117 L 4.1832 8.7012 123.7397 54.2532 42.3384 177.3120 118 F 4.0422 9.0691 125.8598 58.8898 39.6920 174.4033 119 D 4.3664 7.0977 121.1558 54.4774 42.0513 174.6000 120 E 4.2139 8.0200 121.2833 56.0765 29.4706 176.9189 121 T 4.2937 7.3371 107.5085 63.2422 70.5839 174.8979 122 S 4.2652 7.8045 118.3212 57.1795 63.3347 174.3708 123 K 4.1995 8.5505 124.4714 57.7941 33.1768 176.0293 124 K 4.8198 8.0351 122.6145 55.0334 33.1053 175.8803 125 R 4.7522 9.1489 126.5207 54.4792 34.1413 174.0818 126 D 5.2490 8.6116 122.1615 52.8794 43.2725 175.4004 127 V 4.7330 8.6449 123.0268 60.9097 34.7333 173.8953 128 K 4.8345 9.2665 129.9951 55.2790 33.5853 175.1768 129 V 5.1224 9.1952 127.9439 61.0873 34.8217 174.5651 130 V 4.9674 8.8598 125.6353 59.9827 34.5722 174.3682 131 G 4.6851 9.6321 110.5490 44.8429 0.0000 171.3061 132 H 5.3768 9.3497 120.2904 53.7349 33.1872 172.7255 133 V 4.7134 8.6185 121.6917 60.8904 33.5309 176.2342 134 K 3.6528 9.0158 128.8485 58.0134 31.3670 175.8070 135 E 4.4149 9.0822 125.1665 57.1040 29.9540 175.2122 136 I 4.3458 7.8223 122.2835 59.6707 38.4330 175.5737 137 K 4.5629 8.3015 125.7960 55.4263 33.1551 175.4255 *139 F 4.5877 8.1896 123.9815 58.2088 40.9933 173.1790 140 E 4.7373 7.3786 124.8203 54.7800 33.3185 174.0043 141 G 4.1902 8.7799 111.9389 45.6879 0.0000 171.8068 142 T 5.2135 8.6427 117.9394 61.5578 71.4538 173.5274 143 I 4.9180 8.8757 126.7749 59.5911 40.9937 174.4368 144 Q 4.8841 9.1326 126.4540 54.7136 30.3099 174.6628 145 V 4.7164 8.7908 125.3847 61.1255 33.9007 174.6516 146 V 5.5939 9.0645 127.1301 60.1653 34.6454 174.2651 147 S 5.4465 8.7030 120.3166 56.7812 66.0911 172.6259 148 T 4.7918 8.7713 110.4750 60.0531 71.3777 173.8556 149 D 4.6221 8.8665 121.2272 56.1157 41.2972 176.3698 150 E 4.1983 7.5484 116.2966 53.5847 33.3738 174.8412 151 H 3.4432 6.9992 119.6049 55.7742 30.3837 175.9649 152 I 3.4896 7.7151 126.2409 64.1824 37.7482 176.4323 153 F 4.8944 7.9181 115.5730 57.8479 39.1477 175.2453 154 K 4.1789 8.0286 127.8679 56.4058 32.0220 175.4150 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 13 L 8.18 4.38 0.00 1.88 1.88 1.00 0.36 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 14 E 8.00 4.35 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 2.36 2.50 0.00 15 E 8.88 4.54 0.00 1.86 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 2.28 2.05 0.00 16 Y 7.88 4.56 0.00 2.94 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 4.62 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 18 S 8.89 4.35 0.00 4.09 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 4.00 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 20 E 8.46 3.83 0.00 2.05 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 2.39 2.42 0.00 21 D 8.65 4.44 0.00 2.88 2.90 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 22 I 7.60 3.77 2.01 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 1.54 0.58 0.93 0.00 0.00 23 S 8.29 4.23 0.00 3.88 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 24 R 8.13 3.86 0.00 1.91 2.14 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 25 V 7.76 3.74 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 0.84 0.00 0.00 1.09 0.00 0.00 26 R 7.92 4.11 0.00 2.04 2.02 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 27 A 7.89 4.20 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 28 E 8.91 4.54 0.00 1.88 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 0.00 2.24 2.27 0.00 29 L 7.09 4.23 0.00 1.81 1.59 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.54 4.34 0.00 1.72 1.55 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.85 4.30 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 1.22 0.00 0.00 32 C 8.72 4.25 0.00 3.32 2.90 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 33 P 0.00 4.33 0.00 2.18 2.19 0.00 3.74 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 2.00 1.96 0.00 34 E 7.86 4.49 0.00 1.91 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 2.20 2.31 0.00 35 L 7.49 3.86 0.00 1.67 1.17 0.11 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.50 4.44 0.00 2.77 2.70 0.00 0.00 6.93 7.22 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 37 T 8.15 4.19 4.41 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 1.26 0.00 0.00 38 S 7.92 4.35 0.00 3.87 3.93 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 39 L 8.02 4.52 0.00 1.66 1.87 1.00 0.60 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 40 A 8.18 4.50 1.11 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 0.00 0.00 41 G 8.27 4.33 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 0.00 42 T 8.37 4.90 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 43 I 8.41 4.34 1.75 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.24 0.72 0.00 0.00 44 I 8.59 4.49 1.85 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 1.15 0.92 0.94 0.00 0.00 45 E 7.75 4.94 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 46 I 8.15 5.10 1.82 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 1.22 0.76 0.82 0.00 0.00 47 D 8.83 4.39 0.00 2.87 2.66 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 48 K 8.73 3.91 0.00 1.76 1.79 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.60 7.81 49 N 9.33 4.40 0.00 3.06 3.00 0.00 0.00 7.01 7.48 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 50 Y 7.93 5.25 0.00 3.00 2.75 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 51 A 7.50 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.94 4.90 0.00 1.66 1.57 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.36 7.81 53 S 9.12 5.23 0.00 3.93 3.71 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 54 I 8.56 4.95 1.53 0.00 0.00 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 0.97 0.71 0.79 0.00 0.00 55 L 8.89 4.98 0.00 1.71 1.51 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.25 4.59 1.85 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 1.37 0.74 0.84 0.00 0.00 57 T 8.35 4.21 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 1.28 0.00 0.00 58 T 8.05 4.70 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 1.22 0.00 0.00 59 S 8.45 4.26 0.00 3.97 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 60 E 7.47 4.12 0.00 1.86 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 2.29 2.22 0.00 *62 V 7.64 4.07 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 0.66 0.00 0.00 0.93 0.00 0.00 63 A 9.19 4.37 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 64 D 7.57 4.71 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.76 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.82 4.37 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.85 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 67 G 8.26 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 68 L 7.92 4.49 0.00 1.83 1.88 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.03 4.61 1.94 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 1.38 1.01 1.00 0.00 0.00 70 F 9.22 4.40 0.00 3.19 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 71 D 8.45 4.23 0.00 2.05 1.75 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 72 A 6.70 3.83 0.91 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 73 F 7.91 3.84 0.00 3.23 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 74 I 7.93 3.67 2.07 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.48 0.00 0.00 75 F 8.12 3.82 0.00 3.16 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 76 A 8.79 3.96 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 77 A 8.36 4.59 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 78 A 7.84 3.79 1.11 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 0.00 0.00 79 N 8.27 3.93 0.00 2.07 2.83 0.00 0.00 6.85 7.96 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 80 Y 8.13 4.26 0.00 2.98 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 81 V 7.97 3.28 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 0.63 0.00 0.00 0.73 0.00 0.00 82 A 8.13 3.88 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 83 Q 7.94 3.85 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 84 A 7.80 3.90 1.04 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 0.00 0.00 85 S 7.89 4.18 0.00 4.03 4.10 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 86 I 7.08 3.99 1.95 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 1.53 0.85 0.88 0.00 0.00 87 N 8.19 4.08 0.00 2.91 2.80 0.00 0.00 7.19 6.57 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 88 K 7.58 4.51 0.00 1.75 1.67 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.33 7.81 89 E 8.48 3.94 0.00 1.54 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 1.47 1.86 0.00 90 F 7.68 5.10 0.00 3.25 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 91 S 8.36 5.16 0.00 3.91 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 92 V 8.81 4.70 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 0.65 0.00 0.00 0.91 0.00 0.00 93 I 8.31 5.00 1.99 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 1.46 0.70 0.95 0.00 0.00 94 I 8.43 4.46 1.88 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 1.35 0.76 0.92 0.00 0.00 95 G 7.65 4.33 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 0.00 96 S 8.51 5.27 0.00 4.08 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 97 K 9.18 4.34 0.00 1.78 1.62 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.54 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.14 7.81 98 C 8.42 4.88 0.00 2.59 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 0.00 0.00 0.00 0.00 99 F 8.54 4.46 0.00 2.16 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 0.00 100 F 8.72 5.02 0.00 2.88 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 0.00 101 Y 8.44 4.46 0.00 3.08 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 0.00 102 A 7.68 4.71 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 0.00 103 P 0.00 4.73 0.00 2.14 2.09 0.00 3.84 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 2.03 2.04 0.00 104 L 8.52 4.43 0.00 1.73 1.66 1.01 0.49 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 0.00 105 K 8.67 4.93 0.00 1.87 1.80 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 106 L 8.70 4.05 0.00 1.66 1.59 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.79 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 0.00 108 D 8.46 4.73 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.76 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 0.79 0.00 0.00 0.31 0.00 0.00 110 L 8.89 4.64 0.00 1.76 1.53 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 E 9.48 4.98 0.00 1.95 1.88 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 2.12 2.23 0.00 112 L 8.81 5.25 0.00 1.56 1.53 0.93 0.89 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 0.00 113 E 9.11 5.08 0.00 1.98 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 2.27 2.29 0.00 114 A 8.68 5.28 1.05 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 0.00 115 H 9.35 5.34 0.00 3.07 3.26 0.00 5.61 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 0.00 116 A 8.88 4.88 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 0.00 117 L 8.70 4.18 0.00 1.57 1.69 0.95 1.10 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 0.00 118 F 9.07 4.04 0.00 2.99 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 0.00 119 D 7.10 4.37 0.00 2.58 2.42 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 0.00 120 E 8.02 4.21 0.00 1.73 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 2.09 1.84 0.00 121 T 7.34 4.29 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 1.19 0.00 0.00 122 S 7.80 4.27 0.00 3.84 4.03 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 0.00 123 K 8.55 4.20 0.00 1.75 1.96 0.00 1.70 0.00 0.00 1.95 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.43 7.81 124 K 8.04 4.82 0.00 1.76 1.71 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.40 7.81 125 R 9.15 4.75 0.00 1.67 1.74 0.00 3.29 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 126 D 8.61 5.25 0.00 2.61 2.59 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 0.00 127 V 8.64 4.73 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 0.98 0.00 0.00 0.92 0.00 0.00 128 K 9.27 4.83 0.00 1.83 1.71 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.54 7.81 129 V 9.20 5.12 2.24 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 1.18 0.00 0.00 0.94 0.00 0.00 130 V 8.86 4.97 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 0.84 0.00 0.00 0.98 0.00 0.00 131 G 9.63 4.69 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 0.00 0.00 0.00 132 H 9.35 5.38 0.00 3.17 3.41 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.62 4.71 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 1.03 0.00 0.00 0.99 0.00 0.00 134 K 9.02 3.65 0.00 1.95 0.95 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.40 7.81 135 E 9.08 4.41 0.00 2.08 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 0.00 2.24 2.40 0.00 136 I 7.82 4.35 2.05 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 1.22 0.99 0.96 0.00 0.00 137 K 8.30 4.56 0.00 1.65 1.63 0.00 1.48 0.00 0.00 2.03 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.33 7.81 *139 F 8.19 4.59 0.00 3.22 2.93 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 0.00 140 E 7.38 4.74 0.00 2.15 1.57 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 2.20 2.22 0.00 141 G 8.78 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 0.00 142 T 8.64 5.21 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 1.22 0.00 0.00 143 I 8.88 4.92 1.85 0.00 0.00 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 1.26 0.73 0.89 0.00 0.00 144 Q 9.13 4.88 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 145 V 8.79 4.72 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 1.01 0.00 0.00 0.91 0.00 0.00 146 V 9.06 5.59 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 0.90 0.00 0.00 0.93 0.00 0.00 147 S 8.70 5.45 0.00 3.98 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 0.00 148 T 8.77 4.79 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 1.18 0.00 0.00 149 D 8.87 4.62 0.00 2.69 2.81 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 0.00 150 E 7.55 4.20 0.00 1.74 1.54 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 0.00 2.09 2.19 0.00 151 H 7.00 3.44 0.00 2.61 2.90 0.00 5.69 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 0.00 152 I 7.72 3.49 1.61 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.17 0.00 0.00 153 F 7.92 4.89 0.00 3.13 2.96 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 0.00 154 K 8.03 4.18 0.00 1.69 1.75 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.