NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5572 8.1633 120.2797 54.9285 34.0818 174.5038 2 D 4.7101 8.5220 120.7530 53.7064 42.3961 170.1965 3 V 4.5793 9.2152 122.4153 61.1760 35.8061 173.6949 4 F 5.1535 9.1699 125.7803 55.7169 42.1536 174.3715 5 L 5.3186 9.1800 122.3390 53.2331 46.4771 175.5162 6 M 4.4739 8.9939 121.6979 53.6628 34.5762 175.2014 7 I 4.6007 8.6513 126.8506 60.4179 38.7171 175.3712 8 R 5.1211 9.0669 126.9380 54.2905 33.5848 175.0772 9 R 4.7737 8.7705 123.0150 55.7695 34.2056 174.3330 10 H 3.8495 9.6748 123.8565 57.4181 28.8218 176.1504 11 K 4.7226 9.1652 124.7127 57.1561 32.3260 175.1437 12 T 4.5831 8.3950 117.8747 62.0844 69.9329 173.4404 13 T 4.9892 8.5240 122.5377 61.8489 71.4528 173.4227 14 I 4.3066 8.8260 128.7289 59.8678 38.8204 175.2846 15 F 4.9202 8.9715 127.2595 57.1486 39.4156 174.8595 16 T 4.9687 8.7481 118.1124 60.6261 71.6007 171.6768 17 D 5.0170 8.4423 121.0221 52.1613 42.5761 175.1891 18 A 4.3568 8.4352 120.5726 51.3683 22.8534 175.0006 19 K 4.9119 8.4423 112.5417 54.6052 35.9357 177.7324 20 E 3.9922 8.8665 121.6497 59.5622 29.4660 179.3664 21 S 4.4564 7.8809 110.2587 58.7035 64.0114 174.5876 22 S 4.2205 7.8120 119.4015 58.8622 63.1657 174.1751 23 T 4.7233 8.3903 114.0111 60.8007 70.0895 175.8028 24 V 3.4872 8.4783 121.8147 66.1586 31.3986 177.9314 25 F 4.0423 8.2429 120.1024 61.2879 39.1104 176.9168 26 E 3.9698 8.1034 118.3786 59.4971 29.3110 179.3212 27 L 3.9449 7.4464 118.4255 57.6929 41.5985 179.7905 28 K 4.3267 7.5472 119.4594 58.9016 32.0112 179.6470 29 R 3.8241 7.5937 118.4217 58.8967 29.7300 179.1442 30 I 3.6610 7.6531 119.8351 64.3379 37.0497 178.4866 31 V 3.6790 7.7467 119.0308 66.0866 31.3323 177.5757 32 E 4.0626 7.8230 120.4427 58.7571 29.2177 179.0901 33 G 3.6551 7.9377 104.4280 46.9942 0.0000 174.9147 34 I 4.2299 7.1124 119.1020 62.7780 37.0390 177.2449 35 L 4.4944 8.7546 118.3150 53.4353 41.9597 177.3581 36 K 3.9428 7.8538 117.0774 57.2976 29.7495 175.1772 37 R 4.5016 7.1365 116.2624 53.3608 32.0823 174.5009 38 P 4.5385 0.0000 0.0000 61.8022 32.5132 175.3642 39 P 4.2002 0.0000 0.0000 65.8687 31.2550 177.6774 40 D 4.8227 8.1514 114.3344 54.3863 39.9075 176.0813 41 E 4.7936 8.7612 119.8709 56.3250 31.0072 175.0610 42 Q 5.4580 8.5727 118.4784 54.2765 32.8720 174.6159 43 R 4.4772 9.2154 121.6326 54.3442 33.3039 174.5156 44 L 5.1927 8.2734 123.5706 53.4310 44.3388 175.0849 45 Y 5.1638 9.1751 120.2131 56.0424 42.4607 174.3677 46 K 4.7388 8.8672 123.7603 54.8978 35.2010 175.9500 47 D 4.3835 9.4957 128.3294 55.9071 38.2215 173.5446 48 D 4.4711 8.3183 111.7521 55.0674 38.9487 173.9245 49 Q 4.7474 7.7870 118.0155 53.6051 31.3444 174.8018 50 L 3.6404 8.4307 124.7055 54.9320 42.9145 175.7172 51 L 4.5966 8.0603 126.3441 53.1927 43.1418 175.8918 52 D 4.4629 8.5549 123.7181 53.8933 42.3028 176.9048 53 D 4.4458 9.0151 125.3148 57.3609 41.1505 178.7276 54 G 3.7323 8.5864 107.2609 47.2083 0.0000 174.3629 55 K 4.3282 7.6546 120.4886 56.2136 32.7841 176.8580 56 T 4.7145 8.3121 112.2633 61.2975 71.0391 176.0702 57 L 4.2670 8.9043 122.7171 57.7842 41.5960 180.1495 58 G 3.7025 8.4884 106.2099 47.3853 0.0000 175.6685 59 E 4.1041 7.9220 119.4045 58.6344 29.5211 178.2532 60 C 4.4974 7.6184 114.7332 59.6431 28.6284 174.3174 61 G 3.7147 7.9090 108.9059 45.1176 0.0000 174.2872 62 F 4.5619 8.4168 120.4861 56.1023 38.1132 175.2030 63 T 4.8420 7.8318 115.5934 59.3893 71.0323 176.2252 64 S 4.5389 9.1896 116.8431 60.7228 62.5483 175.5580 65 Q 4.2533 8.0502 118.1504 58.3523 28.9985 177.1605 66 T 4.1436 7.6033 113.6451 65.1365 69.1161 174.9147 67 A 4.7351 8.4228 126.1172 50.2747 18.5323 175.4668 68 R 4.8679 8.3473 120.7222 53.8004 32.2935 176.3870 69 P 3.9021 0.0000 0.0000 65.7764 31.2556 178.1343 70 Q 4.1432 7.8781 114.1471 57.5303 29.3747 176.6386 71 A 4.7319 7.3940 119.6060 50.9472 20.9897 173.5663 72 P 5.1201 0.0000 0.0000 61.6593 33.5412 176.7203 73 A 4.6039 8.6197 122.7041 51.6068 20.3250 176.8942 74 T 4.7221 8.5681 118.5075 63.2483 69.8289 174.2652 75 V 4.6231 8.9913 126.3037 61.0965 34.2215 174.6402 76 G 4.2945 9.4066 115.5319 45.2569 0.0000 172.1125 77 L 5.3415 8.5353 125.1343 52.8260 44.5940 175.3871 78 A 4.7751 9.1095 127.6961 50.2353 22.1417 175.1448 79 F 5.6363 8.9875 120.6576 56.4016 41.4967 175.2285 80 R 4.1149 8.2917 121.3298 55.2462 31.1409 176.2260 81 A 4.3863 8.6736 128.0846 50.8093 19.4827 175.9888 82 D 4.1401 8.5210 118.4966 57.0578 40.3828 174.0337 *84 T 4.1308 7.3265 106.9618 61.1728 69.8694 172.0146 85 F 4.9742 8.5810 120.0756 56.5039 39.6873 176.2951 86 E 4.3778 8.8861 121.7054 56.0420 30.3315 176.6832 87 A 4.2462 8.4596 122.4493 51.3842 19.5906 177.2583 88 L 3.6975 8.1639 122.0560 55.2901 42.4379 176.0825 89 C 4.6465 8.5287 125.9369 57.7149 34.5689 172.3932 90 I 4.7563 8.1311 126.8321 59.2589 39.4762 175.4109 91 E 4.2538 8.7676 128.0863 55.2129 29.9085 175.6526 92 P 4.1936 0.0000 0.0000 62.2436 32.1906 176.2642 93 F 4.7344 7.9274 118.7919 57.1081 39.5541 175.4287 94 S 4.2696 8.6369 117.0009 58.6503 63.0604 174.0773 95 S 4.3361 8.4374 116.6582 57.1394 62.7728 172.3403 96 P 4.3736 0.0000 0.0000 61.6895 31.6724 174.3876 97 P 4.5201 0.0000 0.0000 62.8038 31.9576 176.1344 98 E 4.2516 8.3892 115.5427 56.5208 29.6802 175.6024 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 M 8.16 4.56 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 2 D 8.52 4.71 0.00 2.85 2.31 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 3 V 9.22 4.58 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 1.02 0.00 0.00 1.04 0.00 0.00 4 F 9.17 5.15 0.00 3.31 3.01 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 0.00 0.00 0.00 5 L 9.18 5.32 0.00 1.45 1.38 0.60 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.99 4.47 0.00 1.66 1.85 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.25 0.00 7 I 8.65 4.60 1.81 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 1.12 0.46 0.84 0.00 0.00 8 R 9.07 5.12 0.00 1.59 1.69 0.00 2.95 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 9 R 8.77 4.77 0.00 1.76 1.62 0.00 3.15 0.00 0.00 2.58 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 10 H 9.67 3.85 0.00 3.31 2.42 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 9.17 4.72 0.00 1.78 1.87 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.47 7.81 12 T 8.40 4.58 4.37 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 1.26 0.00 0.00 13 T 8.52 4.99 4.37 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 0.83 0.00 0.00 14 I 8.83 4.31 1.84 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 0.69 0.94 0.00 0.00 15 F 8.97 4.92 0.00 2.96 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 16 T 8.75 4.97 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 1.16 0.00 0.00 17 D 8.44 5.02 0.00 2.06 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 18 A 8.44 4.36 1.10 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 0.00 0.00 19 K 8.44 4.91 0.00 1.65 1.64 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.36 1.32 7.81 20 E 8.87 3.99 0.00 2.06 2.04 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 2.56 2.30 0.00 21 S 7.88 4.46 0.00 3.97 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 22 S 7.81 4.22 0.00 4.00 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 23 T 8.39 4.72 4.50 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 1.23 0.00 0.00 24 V 8.48 3.49 2.38 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 1.03 0.00 0.00 1.00 0.00 0.00 25 F 8.24 4.04 0.00 3.34 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 26 E 8.10 3.97 0.00 2.22 1.97 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 2.39 2.45 0.00 27 L 7.45 3.94 0.00 1.89 1.61 0.64 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.55 4.33 0.00 1.54 1.59 0.00 1.61 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.37 7.81 29 R 7.59 3.82 0.00 1.92 1.90 0.00 3.26 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.78 0.00 30 I 7.65 3.66 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 0.89 0.00 0.00 31 V 7.75 3.68 2.38 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 1.12 0.00 0.00 0.96 0.00 0.00 32 E 7.82 4.06 0.00 2.20 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 2.29 2.21 0.00 33 G 7.94 3.66 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 0.00 0.00 0.00 34 I 7.11 4.23 1.90 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 1.54 0.76 0.95 0.00 0.00 35 L 8.75 4.49 0.00 1.87 1.80 1.15 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.85 3.94 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.52 7.81 37 R 7.14 4.50 0.00 1.74 1.62 0.00 3.02 0.00 0.00 2.78 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 38 P 0.00 4.54 0.00 2.49 2.18 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 39 P 0.00 4.20 0.00 2.16 1.66 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 40 D 8.15 4.82 0.00 2.89 2.89 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 41 E 8.76 4.79 0.00 2.03 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 2.20 2.26 0.00 42 Q 8.57 5.46 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.70 0.00 43 R 9.22 4.48 0.00 1.77 1.50 0.00 2.65 0.00 0.00 2.90 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.50 0.00 44 L 8.27 5.19 0.00 1.51 1.53 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.18 5.16 0.00 2.84 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 46 K 8.87 4.74 0.00 2.01 1.62 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.50 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.67 1.22 7.81 47 D 9.50 4.38 0.00 2.81 2.67 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 48 D 8.32 4.47 0.00 2.80 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 49 Q 7.79 4.75 0.00 2.32 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 50 L 8.43 3.64 0.00 1.49 1.37 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.06 4.60 0.00 1.56 1.57 1.07 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.55 4.46 0.00 2.70 2.51 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 53 D 9.02 4.45 0.00 2.80 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 54 G 8.59 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 0.00 0.00 0.00 55 K 7.65 4.33 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 56 T 8.31 4.71 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 1.28 0.00 0.00 57 L 8.90 4.27 0.00 1.83 1.82 0.73 0.70 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 58 G 8.49 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 59 E 7.92 4.10 0.00 2.13 2.04 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 2.35 2.36 0.00 60 C 7.62 4.50 0.00 3.35 3.14 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 G 7.91 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 0.00 0.00 0.00 62 F 8.42 4.56 0.00 3.20 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 63 T 7.83 4.84 4.37 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 1.23 0.00 0.00 64 S 9.19 4.54 0.00 3.89 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 65 Q 8.05 4.25 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 66 T 7.60 4.14 4.34 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 1.30 0.00 0.00 67 A 8.42 4.74 1.56 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 68 R 8.35 4.87 0.00 2.06 1.82 0.00 3.23 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 69 P 0.00 3.90 0.00 1.72 1.52 0.00 3.44 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.00 70 Q 7.88 4.14 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.23 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 71 A 7.39 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 72 P 0.00 5.12 0.00 2.22 2.34 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 73 A 8.62 4.60 1.56 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 74 T 8.57 4.72 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 1.18 0.00 0.00 75 V 8.99 4.62 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 0.92 0.00 0.00 0.63 0.00 0.00 76 G 9.41 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 0.00 0.00 0.00 77 L 8.54 5.34 0.00 1.49 1.50 0.67 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 78 A 9.11 4.78 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 79 F 8.99 5.64 0.00 3.19 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 80 R 8.29 4.11 0.00 0.67 1.38 0.00 2.95 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.00 81 A 8.67 4.39 1.18 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 0.00 0.00 82 D 8.52 4.14 0.00 2.74 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 *84 T 7.33 4.13 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 1.25 0.00 0.00 85 F 8.58 4.97 0.00 3.04 3.13 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 86 E 8.89 4.38 0.00 2.07 2.04 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 2.78 2.38 0.00 87 A 8.46 4.25 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 88 L 8.16 3.70 0.00 0.77 1.18 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 89 C 8.53 4.65 0.00 2.90 2.53 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 90 I 8.13 4.76 1.76 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 1.26 0.69 0.76 0.00 0.00 91 E 8.77 4.25 0.00 1.99 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 2.30 2.41 0.00 92 P 0.00 4.19 0.00 2.16 1.99 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 93 F 7.93 4.73 0.00 3.10 2.91 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 94 S 8.64 4.27 0.00 4.01 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 95 S 8.44 4.34 0.00 3.88 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 96 P 0.00 4.37 0.00 2.10 1.99 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 97 P 0.00 4.52 0.00 2.18 2.08 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 98 E 8.39 4.25 0.00 2.04 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 2.16 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.