NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.8025 8.2033 121.7496 57.7328 30.1764 174.2979 2 D 4.5294 9.0706 122.0645 54.5444 39.3540 172.3227 3 D 4.4881 7.5583 118.0826 54.6721 47.3800 175.4304 4 L 4.5722 7.5150 120.5170 52.2569 42.4237 175.4935 5 T 4.6262 8.1986 113.6009 58.4525 73.4453 174.7639 6 I 3.6952 8.1649 122.2119 64.4418 36.9569 178.8729 7 S 3.9598 7.7632 115.0637 61.3071 62.8622 176.5595 8 S 4.0106 7.9593 117.8968 60.8153 62.5609 176.5306 9 L 3.6680 7.5315 123.2531 56.8961 41.3919 178.9712 10 A 3.4217 7.3985 119.8614 53.9731 18.1423 178.8737 11 K 4.2530 7.1945 115.3325 56.1746 33.6223 177.5603 12 G 3.6945 7.5837 108.9455 45.5520 0.0000 173.8698 13 E 3.8398 8.9508 124.5212 59.0587 29.6702 177.6742 14 T 4.5031 7.8266 105.3060 61.5892 69.1414 174.7858 15 T 4.6047 7.3786 111.6769 61.2313 70.8228 176.0749 16 K 4.1178 8.4550 122.8182 59.9679 32.3186 178.9912 17 A 4.0405 8.0220 121.2996 54.7796 18.3311 179.2967 18 A 3.9792 7.9890 119.0382 55.1429 18.5231 179.5129 19 F 3.8422 8.5743 119.5418 61.5489 39.2991 177.2169 20 N 4.4420 8.5268 115.3687 56.1945 38.5490 176.9671 21 Q 4.0564 8.2971 121.2915 59.2677 28.9645 177.6214 22 M 3.9564 7.9013 118.2827 58.4768 32.5168 177.7454 23 V 4.0500 7.3521 109.9620 59.9849 31.8690 175.5889 24 Q 4.0188 7.2745 121.7121 57.6167 29.0319 176.5070 25 G 3.8444 8.9202 112.9137 46.1878 0.0000 173.0837 26 H 4.5895 8.1700 115.1285 54.4250 29.8860 174.7319 27 K 3.7018 7.7956 118.1870 57.5787 31.1567 174.6591 28 L 3.8363 7.1145 116.8609 53.4772 43.3276 175.8992 29 P 4.2519 0.0000 0.0000 62.4365 32.0174 177.1629 30 A 3.9567 8.6020 122.7601 55.0193 18.4369 180.0816 31 W 4.3431 7.9854 111.7866 59.2461 28.5806 177.7990 32 V 3.2991 6.7403 118.8182 66.0741 31.0782 177.0359 33 M 4.0614 7.8165 117.1842 57.8096 33.8840 177.7605 34 K 4.1619 8.1889 118.7645 56.6159 30.8066 179.5854 35 G 3.9948 9.3804 109.5116 43.4344 0.0000 171.7098 36 G 4.5138 8.4934 113.3045 44.5440 0.0000 169.8598 37 T 4.9705 8.5726 116.1589 62.3284 70.6738 174.0692 38 Y 5.3878 8.1039 120.9389 55.9111 41.6594 174.1088 39 T 4.5640 8.4575 116.7990 61.0919 70.3571 173.4901 40 P 4.6433 0.0000 0.0000 62.3816 32.1050 176.2247 41 A 4.5334 8.7221 123.3902 52.5388 19.2295 176.8118 42 Q 4.7508 9.0645 119.0759 54.3947 32.7498 174.7465 43 T 4.9400 8.5301 119.0982 62.6852 70.0885 174.4504 44 V 4.8509 9.2591 125.4316 61.5114 35.6754 173.9266 45 T 5.1935 9.0286 123.1486 61.7997 71.4752 173.0164 46 L 4.9991 9.2861 126.8833 54.0604 44.1473 178.4964 47 G 4.0011 9.6424 118.6661 46.8498 0.0000 174.5385 48 D 4.7438 9.2848 124.3330 54.1917 42.6926 175.9684 49 E 4.4374 7.8702 119.1672 55.0665 31.0105 174.7191 50 T 5.0646 7.8424 118.4255 62.1397 70.8839 173.3190 51 Y 4.9155 9.3490 122.3743 56.3300 42.9400 174.2175 52 Q 5.0173 9.5236 121.1855 54.8202 30.8368 174.8603 53 V 4.9479 9.3217 124.9279 61.5049 33.8710 174.4094 54 M 5.4382 9.3153 127.0082 53.8174 36.5385 174.3402 55 S 5.2633 8.4389 113.2024 57.7571 67.1817 172.2283 56 A 5.2441 8.9720 120.5367 51.5778 23.0209 172.6714 57 C 4.8038 9.0339 113.5839 53.0838 47.4441 173.1386 58 K 2.7537 7.3809 120.9203 55.0365 32.3877 174.5953 59 P 4.1795 0.0000 0.0000 64.3975 31.6897 176.2189 60 H 3.9752 9.0255 117.4514 56.4418 27.0096 175.0785 61 D 4.6210 7.8065 119.7565 52.6444 41.3931 176.0152 62 C 4.0613 8.1887 120.6838 59.5286 44.0618 174.2107 63 G 3.5265 7.8460 105.7499 46.6888 0.0000 174.0551 64 S 4.4626 7.9855 116.2447 59.7047 64.1152 174.2163 65 Q 5.0568 7.5552 118.6735 54.1667 32.7045 174.5908 66 R 5.2412 8.6261 119.2057 55.2974 33.7108 173.5640 67 I 5.2372 9.2405 118.9347 59.6447 42.0708 173.4014 68 A 5.3113 9.1802 128.4799 50.2344 22.7553 175.1789 69 V 4.9087 9.1125 120.1766 61.4374 35.5507 173.9740 70 M 5.2496 9.3086 127.2270 53.4197 34.4689 174.6525 71 W 5.6728 9.6101 133.7782 55.6926 34.6511 173.7785 72 S 4.3310 8.8609 122.3754 56.8842 62.2035 174.7973 73 E 2.5400 8.0359 127.5399 58.2285 29.5809 178.4359 74 K 3.9627 7.6196 119.5186 58.2504 32.4069 177.2971 75 S 4.4359 7.7741 110.4058 57.1760 63.8218 174.2784 76 N 4.6469 8.1648 118.5749 54.1291 38.3516 173.6890 77 Q 4.6522 7.7047 116.5693 56.5989 30.0805 174.9304 78 M 5.6376 8.6515 118.7745 54.2881 34.7102 174.2025 79 T 4.8430 9.2801 116.5825 62.3718 73.7653 172.8525 80 G 4.4504 8.8918 109.4945 45.6388 0.0000 171.4058 81 L 4.8979 9.0750 121.3941 53.5249 45.7623 174.1337 82 F 5.1819 9.0503 128.8279 56.3645 42.4135 173.8698 83 S 5.0324 8.0530 119.8600 56.4897 65.7409 172.5512 84 T 5.0333 8.4979 116.2505 59.9411 71.8167 172.5484 85 I 4.5768 8.6365 126.1650 61.2543 38.7608 172.5330 86 D 4.2623 9.4415 128.3441 54.8483 38.9981 176.8617 87 E 5.9800 4.0000 124.8059 57.4117 34.4137 176.3184 88 K 4.2798 8.2651 115.9503 57.4369 34.4703 176.7295 *91 Q 4.1888 7.6076 116.1439 55.6630 30.5793 173.4935 92 E 5.0207 8.7265 122.3282 54.4781 31.8692 174.9169 93 K 4.5962 9.0735 126.9205 54.7705 34.3448 175.0815 94 L 5.0003 8.5014 125.0130 53.2596 43.9016 176.0267 95 T 4.5361 8.6507 119.8054 61.5120 71.4777 173.1002 96 W 4.6881 8.8485 126.7620 55.8502 30.6738 175.6532 97 L 4.5557 9.1426 125.0620 54.3547 42.5721 177.5365 98 N 4.4147 9.0772 120.1800 53.2881 36.5497 174.2276 99 V 3.4703 8.7281 113.7934 63.5926 31.6465 173.9154 100 N 4.6353 8.3829 114.7643 53.4744 35.5725 173.3927 101 D 4.4450 7.7771 116.9192 52.8674 37.9835 177.2977 102 A 4.5148 7.4654 122.0063 52.6784 21.0432 176.6891 103 L 3.8992 7.8707 117.8486 55.2654 42.6224 177.2347 104 S 4.5884 8.2321 120.9465 56.7096 66.4616 174.9124 105 I 3.5083 8.0510 121.8184 64.9274 36.5958 178.3473 106 D 4.3078 7.9706 119.0320 57.1512 40.6884 178.8810 107 G 3.5612 7.9976 106.1374 47.6429 0.0000 175.9573 108 K 4.1000 8.1204 120.8504 59.5757 31.9260 179.5662 109 T 4.0361 8.0041 116.0546 66.7011 68.3554 176.8978 110 V 3.6396 8.2856 120.4160 65.9275 31.5605 178.0988 111 L 4.0357 8.2505 118.8042 57.8543 41.4935 179.2687 112 F 4.0267 8.7336 120.4766 61.2229 39.3355 176.9874 113 A 3.8523 8.5925 120.6543 54.8170 17.5878 179.6152 114 A 3.7947 7.9231 119.6629 55.1737 18.3964 179.6581 115 L 3.7571 7.6778 116.2821 58.0836 40.8020 178.8560 116 T 3.8805 7.3955 110.8216 63.8604 69.3898 175.0676 117 G 3.9258 7.3785 107.1572 45.4945 0.0000 175.8908 118 S 4.2668 8.0403 116.6816 61.2472 62.4902 176.2422 119 L 3.8511 7.5182 122.6591 58.0743 41.9108 178.2848 120 E 4.0748 8.0294 117.6300 59.3341 29.7322 177.9637 121 N 4.5615 7.9209 114.4626 54.7904 40.2103 175.1571 122 H 5.0348 8.0362 117.3074 52.9029 29.6685 171.8241 123 P 4.3339 0.0000 0.0000 65.6957 31.3794 178.0189 124 D 4.9480 8.1182 116.5044 53.9066 41.2676 176.6872 125 G 3.8847 8.3998 106.1134 45.4473 0.0000 174.4840 126 F 4.3502 7.7715 116.4388 56.7850 40.7915 174.1781 127 N 4.7107 7.9144 116.7237 52.3026 39.5889 174.6117 128 F 4.9500 9.9781 123.4983 55.6431 41.8447 175.9020 129 R 4.1688 8.7571 123.1937 57.1372 30.3895 173.5165 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 1 Q 8.20 4.80 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.99 0.00 0.00 0.00 0.00 0.00 2.45 2.70 0.00 2 D 9.07 4.53 0.00 2.82 2.72 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 3 D 7.56 4.49 0.00 2.62 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 4 L 7.51 4.57 0.00 1.64 1.61 0.78 1.26 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 5 T 8.20 4.63 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 0.39 0.00 0.00 6 I 8.16 3.70 1.91 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.74 1.11 0.00 0.00 7 S 7.76 3.96 0.00 3.99 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 8 S 7.96 4.01 0.00 3.92 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 9 L 7.53 3.67 0.00 1.56 1.55 0.70 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.40 3.42 0.38 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 11 K 7.19 4.25 0.00 1.61 1.76 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.38 7.81 12 G 7.58 3.69 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 13 E 8.95 3.84 0.00 1.90 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 2.37 0.00 14 T 7.83 4.50 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 1.24 0.00 0.00 15 T 7.38 4.60 4.04 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 1.09 0.00 0.00 16 K 8.45 4.12 0.00 2.02 2.18 0.00 1.28 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 A 8.02 4.04 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 18 A 7.99 3.98 1.45 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 0.00 0.00 19 F 8.57 3.84 0.00 3.09 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 20 N 8.53 4.44 0.00 2.92 2.89 0.00 0.00 7.04 7.23 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 21 Q 8.30 4.06 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 22 M 7.90 3.96 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 23 V 7.35 4.05 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 0.20 0.00 0.00 0.92 0.00 0.00 24 Q 7.27 4.02 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 25 G 8.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.17 4.59 0.00 3.18 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.80 3.70 0.00 1.87 1.82 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.35 7.81 28 L 7.11 3.84 0.00 1.31 0.98 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.25 0.00 2.11 2.24 0.00 2.83 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 2.34 0.00 30 A 8.60 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 W 7.99 4.34 0.00 3.64 3.26 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 32 V 6.74 3.30 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 0.80 0.00 0.00 -0.25 0.00 0.00 33 M 7.82 4.06 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 34 K 8.19 4.16 0.00 1.72 1.56 0.00 1.85 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.55 7.81 35 G 9.38 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 36 G 8.49 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.57 4.97 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 1.10 0.00 0.00 38 Y 8.10 5.39 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.46 4.56 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 1.26 0.00 0.00 40 P 0.00 4.64 0.00 2.09 2.07 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 41 A 8.72 4.53 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 42 Q 9.06 4.75 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 43 T 8.53 4.94 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 1.29 0.00 0.00 44 V 9.26 4.85 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 1.03 0.00 0.00 1.02 0.00 0.00 45 T 9.03 5.19 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 1.28 0.00 0.00 46 L 9.29 5.00 0.00 1.81 1.72 0.90 1.38 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 47 G 9.64 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 48 D 9.28 4.74 0.00 2.67 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 49 E 7.87 4.44 0.00 1.95 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 2.26 2.42 0.00 50 T 7.84 5.06 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 1.18 0.00 0.00 51 Y 9.35 4.92 0.00 2.91 2.98 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 52 Q 9.52 5.02 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.74 0.00 53 V 9.32 4.95 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 1.01 0.00 0.00 1.04 0.00 0.00 54 M 9.32 5.44 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.67 0.00 55 S 8.44 5.26 0.00 4.00 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 56 A 8.97 5.24 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 9.03 4.80 0.00 2.87 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 58 K 7.38 2.75 0.00 0.90 1.43 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 0.95 7.81 59 P 0.00 4.18 0.00 2.04 1.93 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 60 H 9.03 3.98 0.00 3.29 3.42 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.81 4.62 0.00 2.56 2.40 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 62 C 8.19 4.06 0.00 2.79 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 63 G 7.85 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.99 4.46 0.00 4.13 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 65 Q 7.56 5.06 0.00 2.03 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 66 R 8.63 5.24 0.00 1.77 1.87 0.00 2.77 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.57 0.00 67 I 9.24 5.24 2.21 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 1.26 1.65 1.20 0.00 0.00 68 A 9.18 5.31 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 69 V 9.11 4.91 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 1.23 0.00 0.00 1.02 0.00 0.00 70 M 9.31 5.25 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 71 W 9.61 5.67 0.00 3.33 3.15 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 72 S 8.86 4.33 0.00 3.53 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.04 2.54 0.00 1.62 1.62 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 0.00 1.49 1.96 0.00 74 K 7.62 3.96 0.00 1.55 1.61 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.33 7.81 75 S 7.77 4.44 0.00 3.97 3.86 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 76 N 8.16 4.65 0.00 2.99 3.12 0.00 0.00 7.18 7.90 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 77 Q 7.70 4.65 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 78 M 8.65 5.64 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 79 T 9.28 4.84 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 1.35 0.00 0.00 80 G 8.89 4.45 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 0.00 0.00 0.00 81 L 9.07 4.90 0.00 1.49 1.36 -0.44 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.05 5.18 0.00 3.02 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 83 S 8.05 5.03 0.00 3.65 3.35 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 84 T 8.50 5.03 4.27 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 1.36 0.00 0.00 85 I 8.64 4.58 1.84 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 1.09 0.55 0.90 0.00 0.00 86 D 9.44 4.26 0.00 2.62 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 87 E 4.00 5.98 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 88 K 8.27 4.28 0.00 1.76 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.62 7.81 *91 Q 7.61 4.19 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 92 E 8.73 5.02 0.00 1.97 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 2.20 2.27 0.00 93 K 9.07 4.60 0.00 1.71 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.40 7.81 94 L 8.50 5.00 0.00 1.34 0.98 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.65 4.54 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 1.15 0.00 0.00 96 W 8.85 4.69 0.00 3.24 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 97 L 9.14 4.56 0.00 1.61 1.48 0.82 0.25 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 98 N 9.08 4.41 0.00 3.02 3.06 0.00 0.00 6.99 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 99 V 8.73 3.47 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 0.83 0.00 0.00 1.10 0.00 0.00 100 N 8.38 4.64 0.00 3.11 2.94 0.00 0.00 7.00 7.94 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 0.00 101 D 7.78 4.44 0.00 2.85 3.09 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 0.00 102 A 7.47 4.51 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 0.00 103 L 7.87 3.90 0.00 1.55 1.49 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.23 4.59 0.00 4.02 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 0.00 105 I 8.05 3.51 1.76 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 1.52 0.66 0.79 0.00 0.00 106 D 7.97 4.31 0.00 2.61 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 0.00 0.00 0.00 0.00 107 G 8.00 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 0.00 108 K 8.12 4.10 0.00 1.73 1.52 0.00 1.17 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.09 7.81 109 T 8.00 4.04 4.48 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 0.00 0.00 0.00 1.44 0.00 0.00 110 V 8.29 3.64 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 1.08 0.00 0.00 1.28 0.00 0.00 111 L 8.25 4.04 0.00 2.25 1.86 1.22 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.73 4.03 0.00 3.39 3.32 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 0.00 113 A 8.59 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.92 3.79 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.68 3.76 0.00 1.68 1.73 0.57 0.73 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 0.00 116 T 7.40 3.88 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 0.27 0.00 0.00 117 G 7.38 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 0.00 0.00 0.00 118 S 8.04 4.27 0.00 3.92 4.27 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 0.00 119 L 7.52 3.85 0.00 1.26 1.56 0.92 0.93 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 0.00 120 E 8.03 4.07 0.00 1.98 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 2.27 2.40 0.00 121 N 7.92 4.56 0.00 2.63 2.69 0.00 0.00 6.81 7.59 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 0.00 122 H 8.04 5.03 0.00 3.51 3.21 0.00 5.66 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 0.00 123 P 0.00 4.33 0.00 2.21 2.27 0.00 3.85 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 124 D 8.12 4.95 0.00 2.67 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 0.00 125 G 8.40 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 0.00 0.00 0.00 126 F 7.77 4.35 0.00 2.86 3.06 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 0.00 127 N 7.91 4.71 0.00 2.46 2.69 0.00 0.00 6.92 7.45 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 0.00 128 F 9.98 4.95 0.00 3.07 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 0.00 129 R 8.76 4.17 0.00 1.94 1.89 0.00 3.46 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.