NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2094 8.4331 121.4711 56.1425 31.4223 175.9176 3 G 3.6384 7.8668 106.0183 44.0918 0.0000 170.8389 4 D 4.7685 9.8337 120.4268 52.2533 43.4505 174.7922 5 A 4.2258 8.6368 129.8372 55.0299 18.5797 178.9216 6 A 3.9029 8.2339 119.6771 55.2571 18.4601 179.8038 7 K 4.0747 8.2428 118.4523 59.3579 32.2308 179.0818 8 G 3.7395 8.0994 106.2174 47.9298 0.0000 175.0684 9 E 2.5400 7.8107 120.6384 58.3611 29.7715 178.6022 10 K 4.0161 7.4749 118.4347 59.5809 32.3230 178.7686 11 E 4.0323 8.3585 118.7994 59.0257 29.3549 178.8235 12 F 4.0536 8.1450 120.4546 60.3696 39.2541 176.3885 13 N 4.3906 7.9517 116.0180 56.7896 38.0760 177.0058 14 K 4.0496 7.9414 118.4355 58.6106 32.4092 178.1964 15 C 3.8722 7.7008 116.6704 60.1216 28.4334 175.3273 16 K 4.5836 7.3539 119.6638 57.8551 32.0860 178.6661 17 A 3.9152 7.8416 122.3701 54.8219 18.2310 177.9394 18 C 4.6975 8.0653 112.5821 59.6838 31.4695 174.0411 19 H 5.3305 8.0005 115.5160 54.0219 32.7142 172.6544 20 M 5.0164 8.7154 118.9371 53.8258 34.8896 174.8570 21 V 4.7327 8.8394 118.6329 61.1108 33.7150 173.4325 22 Q 4.8917 9.0985 128.1724 53.8192 31.5599 175.0308 23 A 2.6461 8.7365 129.6356 50.5333 19.1120 176.3875 24 P 4.1014 0.0000 0.0000 65.4620 31.3911 177.5115 25 D 4.4579 7.8170 114.9551 53.5465 39.6096 177.0190 26 G 3.8848 8.1318 109.1794 45.4399 0.0000 174.0428 27 T 3.8587 8.0075 118.1444 63.3812 68.6662 173.3773 28 D 4.8830 8.5488 127.2488 53.8520 41.1911 176.4220 29 I 3.9159 8.6016 126.3445 63.5524 37.6299 176.6359 30 V 4.5022 7.4326 119.4253 60.7952 34.3772 174.2826 31 K 4.4726 8.9369 127.7492 56.6402 32.9154 176.4355 32 G 4.0949 8.2808 110.0397 45.5856 0.0000 171.9314 33 G 4.1599 8.4894 108.2400 44.9696 0.0000 174.0269 34 K 4.6756 8.3581 116.2231 56.4511 32.9859 178.0456 35 T 3.9651 8.3604 118.5527 65.9584 68.5217 174.2835 36 G 4.0161 7.8754 106.6670 43.2657 0.0000 171.6743 37 P 4.2922 0.0000 0.0000 61.6299 32.1305 176.2792 38 N 4.4457 8.7239 120.5622 54.6806 39.3297 174.5187 39 L 4.4841 8.8984 124.1797 54.2965 42.6314 175.7833 40 Y 3.9297 8.1775 120.8603 59.0385 38.9477 176.0764 41 G 3.8827 8.1761 114.7578 46.0205 0.0000 174.9402 42 V 3.6827 7.4478 121.5505 63.8821 31.6667 176.5832 43 V 3.8349 7.3702 120.9546 63.8300 31.3519 176.0660 44 G 3.9779 9.1974 116.5319 45.0583 0.0000 173.0412 45 R 4.3258 7.8921 120.8365 55.4073 31.4753 175.9173 46 K 4.4510 8.6057 124.4184 56.3674 32.8771 176.8946 47 I 3.0752 7.6336 125.0583 61.8880 37.4076 176.2645 48 A 2.6033 8.3148 129.4436 53.5695 15.5558 177.0281 49 S 4.6382 7.6982 110.7379 57.6349 64.6135 174.6573 50 V 3.8347 8.2268 122.4063 62.7779 31.2437 175.2604 51 E 4.2584 8.7228 127.8217 57.9339 29.8410 177.3584 52 G 4.0205 9.0907 111.5646 45.1686 0.0000 173.2749 53 F 4.1209 7.5716 121.4593 57.2476 39.9414 175.9797 54 K 4.1365 6.7892 127.6765 55.1808 30.6341 176.1349 55 Y 4.6156 8.1545 120.7728 57.1858 38.9684 176.7145 56 G 4.0145 8.7259 108.3425 44.6062 0.0000 174.6536 57 D 4.5900 8.7499 120.6832 56.9490 40.9534 179.4794 58 G 3.8015 8.0466 107.2474 47.5088 0.0000 175.5689 59 I 3.9608 7.9211 121.3681 63.5054 38.1121 177.7564 60 L 3.9853 7.9133 119.9570 57.6056 41.3702 178.9946 61 E 3.9432 8.3015 119.4271 59.1638 29.5614 179.0756 62 V 3.4597 7.7660 117.7510 65.9157 31.3659 177.9274 63 A 3.9047 7.8660 120.3416 55.0230 17.9305 179.2612 64 E 3.8653 8.0554 117.2183 59.1674 29.8084 178.6442 65 K 4.1786 8.1026 118.8678 57.8698 33.8191 176.6142 66 N 4.9714 7.8618 116.3212 50.3896 38.7142 173.0811 67 P 4.4927 0.0000 0.0000 64.3119 31.9931 177.8387 68 D 4.6856 7.7863 116.5578 54.1171 41.6664 175.7091 69 M 4.2407 7.9192 121.5961 55.4089 33.2134 175.6286 70 V 4.4841 8.0723 118.0811 58.7630 35.6767 175.2682 71 W 4.4041 8.9895 122.7046 56.9322 29.5852 176.9571 72 S 4.9046 8.8607 119.9968 57.1751 64.3124 175.1292 73 E 3.9541 8.7950 120.2772 59.3805 29.0917 179.5007 74 A 4.0426 8.0029 120.3153 55.4018 18.5303 179.2286 75 D 4.7053 8.4224 117.4022 57.6266 40.8683 179.0294 76 L 3.6548 8.4018 119.6959 57.7827 41.5361 179.5675 77 I 3.7016 7.9707 119.7350 64.4724 36.9481 178.3801 78 E 4.0430 8.2896 119.2844 59.5855 29.1526 178.7708 79 Y 3.8447 7.8635 118.5097 60.8344 39.1429 178.3969 80 V 3.6578 8.1088 113.1865 64.0083 31.3242 178.7761 81 T 4.7224 7.3656 116.3803 64.4634 68.3339 174.3089 82 D 4.1968 7.5408 119.2297 51.7552 43.9518 174.1091 83 P 4.1312 0.0000 0.0000 65.2354 31.1301 178.4930 84 K 3.9832 8.0802 118.1983 59.3215 32.1535 177.2305 85 P 4.2992 0.0000 0.0000 64.9986 31.2851 178.4365 86 W 4.1655 7.9073 127.7726 60.6180 30.6122 178.0463 87 L 4.0672 8.4439 118.9629 57.7716 41.0228 179.6539 88 V 3.7136 8.1248 118.3921 65.9591 31.2371 177.6992 89 E 3.8475 8.1302 118.0842 59.3038 29.5697 178.6954 90 K 3.9028 7.4677 117.4276 59.1189 32.1515 178.8732 91 T 4.2313 8.1015 108.8738 61.3507 69.2474 175.5421 92 G 3.7812 8.0914 108.8958 46.1546 0.0000 172.7413 93 D 4.7588 7.8218 119.1544 51.6669 42.5532 176.6607 94 S 4.1519 8.8240 122.0375 60.7246 63.2073 174.7951 95 A 4.4737 8.0890 122.6213 51.6962 18.6259 176.7030 96 A 4.1468 7.7692 120.3616 53.0868 18.9557 178.2833 97 K 4.2441 8.7972 123.8910 56.4865 33.7153 175.3666 98 T 4.8521 8.4775 121.1471 60.4894 69.5664 173.7498 99 K 4.3061 9.1954 126.7135 57.2258 32.8697 176.1269 100 M 4.7403 7.9782 119.1755 53.9091 33.7057 175.0299 101 T 4.5166 8.4413 114.3896 60.8490 70.2549 174.0414 102 F 4.0505 8.2611 124.9589 58.4904 39.8890 173.9729 103 K 4.3805 7.4913 126.1982 54.2479 34.6818 175.3261 104 L 4.4763 8.5925 125.3052 53.4484 42.7162 176.7502 105 G 3.9512 8.5308 114.9359 45.7136 0.0000 172.1466 106 K 4.6938 7.1537 117.4372 55.7903 35.7860 175.4600 107 N 4.6716 8.8512 113.8359 54.8998 36.0811 177.0996 108 Q 3.9887 7.6740 117.3824 59.1360 28.6940 178.1141 109 A 4.1328 8.0085 121.2778 55.1768 18.3976 179.3553 110 D 4.3632 8.0118 117.0162 57.5531 41.0742 178.8471 111 V 3.7409 7.8678 118.7925 66.1449 31.4957 178.2431 112 V 3.5904 8.0780 117.7564 65.8143 31.3515 177.8340 113 A 3.9658 8.3381 120.8982 54.9721 17.9800 179.3052 114 F 4.1322 8.0709 118.1525 61.6021 39.7577 177.0665 115 L 3.5623 7.9342 118.2492 57.5471 41.4263 179.4357 116 A 3.8897 7.9589 120.8386 54.9491 18.0409 179.4447 117 Q 3.8398 7.7011 117.2921 58.2317 29.5715 176.2727 118 H 4.5748 7.4161 117.3457 55.5385 29.8604 174.3277 119 S 4.8106 7.2482 110.3939 56.4540 63.0692 173.2422 120 P 4.0989 0.0000 0.0000 65.8437 32.0824 177.6946 *121 D 4.4254 7.9958 121.9787 53.3581 40.4213 179.9337 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 2 E 8.43 4.21 0.00 1.95 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 2.20 2.33 0.00 3 G 7.87 3.64 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 0.00 4 D 9.83 4.77 0.00 2.73 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 5 A 8.64 4.23 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 6 A 8.23 3.90 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 0.00 0.00 0.00 0.00 0.00 7 K 8.24 4.07 0.00 1.91 1.88 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.50 7.81 8 G 8.10 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 0.00 0.00 0.00 9 E 7.81 2.54 0.00 1.61 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 2.03 1.59 0.00 10 K 7.47 4.02 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 11 E 8.36 4.03 0.00 2.17 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 2.42 2.47 0.00 12 F 8.14 4.05 0.00 3.16 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 13 N 7.95 4.39 0.00 2.82 2.83 0.00 0.00 6.84 8.88 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 14 K 7.94 4.05 0.00 1.78 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.47 7.81 15 C 7.70 3.87 0.00 1.23 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 16 K 7.35 4.58 0.00 2.10 2.08 0.00 1.60 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.25 7.81 17 A 7.84 3.92 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 18 C 8.07 4.70 0.00 2.64 2.73 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 19 H 8.00 5.33 0.00 3.03 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.72 5.02 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 21 V 8.84 4.73 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 0.87 0.00 0.00 0.53 0.00 0.00 22 Q 9.10 4.89 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 23 A 8.74 2.65 0.81 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 0.00 0.00 24 P 0.00 4.10 0.00 1.97 2.08 0.00 3.32 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 25 D 7.82 4.46 0.00 2.74 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 26 G 8.13 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 0.00 0.00 0.00 27 T 8.01 3.86 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 1.19 0.00 0.00 28 D 8.55 4.88 0.00 2.66 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 29 I 8.60 3.92 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.68 0.00 0.00 30 V 7.43 4.50 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 1.35 0.00 0.00 1.01 0.00 0.00 31 K 8.94 4.47 0.00 1.71 1.75 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.46 7.81 32 G 8.28 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 33 G 8.49 4.16 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 0.00 0.00 0.00 34 K 8.36 4.68 0.00 1.63 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.44 7.81 35 T 8.36 3.97 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 1.23 0.00 0.00 36 G 7.88 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 0.00 0.00 0.00 0.00 37 P 0.00 4.29 0.00 1.76 1.56 0.00 3.44 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.44 0.00 38 N 8.72 4.45 0.00 2.75 2.78 0.00 0.00 6.93 7.78 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 39 L 8.90 4.48 0.00 1.72 1.55 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.18 3.93 0.00 3.06 2.85 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 41 G 8.18 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 42 V 7.45 3.68 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 0.50 0.00 0.00 0.62 0.00 0.00 43 V 7.37 3.83 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 0.75 0.00 0.00 0.82 0.00 0.00 44 G 9.20 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 45 R 7.89 4.33 0.00 2.29 2.11 0.00 3.19 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 46 K 8.61 4.45 0.00 1.66 1.67 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.46 7.81 47 I 7.63 3.08 1.57 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.30 0.58 0.00 0.00 48 A 8.31 2.60 0.57 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 0.00 0.00 0.00 0.00 0.00 49 S 7.70 4.64 0.00 3.97 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 50 V 8.23 3.83 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 1.04 0.00 0.00 1.05 0.00 0.00 51 E 8.72 4.26 0.00 2.06 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 2.38 2.30 0.00 52 G 9.09 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 0.00 0.00 0.00 53 F 7.57 4.12 0.00 2.87 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 54 K 6.79 4.14 0.00 1.35 1.57 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.25 7.81 55 Y 8.15 4.62 0.00 3.12 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 56 G 8.73 4.01 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 0.00 0.00 0.00 57 D 8.75 4.59 0.00 2.79 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 58 G 8.05 3.80 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 0.00 0.00 0.00 59 I 7.92 3.96 2.13 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 1.62 1.51 1.16 0.00 0.00 60 L 7.91 3.99 0.00 1.88 1.72 1.09 1.22 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 61 E 8.30 3.94 0.00 2.13 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 2.28 2.30 0.00 62 V 7.77 3.46 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 0.75 0.00 0.00 0.89 0.00 0.00 63 A 7.87 3.90 1.28 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 0.00 0.00 64 E 8.06 3.87 0.00 1.97 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 2.30 2.29 0.00 65 K 8.10 4.18 0.00 1.80 1.89 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.43 7.81 66 N 7.86 4.97 0.00 2.77 2.59 0.00 0.00 6.61 8.05 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 67 P 0.00 4.49 0.00 2.14 2.15 0.00 3.30 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 68 D 7.79 4.69 0.00 2.64 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 69 M 7.92 4.24 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 70 V 8.07 4.48 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 0.80 0.00 0.00 0.94 0.00 0.00 71 W 8.99 4.40 0.00 3.43 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 72 S 8.86 4.90 0.00 4.08 4.06 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 73 E 8.79 3.95 0.00 2.11 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 2.41 2.45 0.00 74 A 8.00 4.04 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 0.00 0.00 0.00 0.00 0.00 75 D 8.42 4.71 0.00 3.19 3.25 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 76 L 8.40 3.65 0.00 1.83 1.55 0.84 -0.06 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 77 I 7.97 3.70 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.95 0.00 0.00 78 E 8.29 4.04 0.00 2.48 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 2.47 2.72 0.00 79 Y 7.86 3.84 0.00 1.99 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 80 V 8.11 3.66 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 1.01 0.00 0.00 81 T 7.37 4.72 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 1.22 0.00 0.00 82 D 7.54 4.20 0.00 2.55 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.13 0.00 2.18 1.43 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.37 0.00 84 K 8.08 3.98 0.00 1.88 1.83 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.58 7.81 85 P 0.00 4.30 0.00 2.29 2.14 0.00 3.90 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 86 W 7.91 4.17 0.00 3.64 3.62 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 87 L 8.44 4.07 0.00 2.08 1.85 1.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.12 3.71 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 1.07 0.00 0.00 0.99 0.00 0.00 89 E 8.13 3.85 0.00 2.03 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 2.20 2.29 0.00 90 K 7.47 3.90 0.00 1.43 1.50 0.00 1.25 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.71 0.21 7.81 91 T 8.10 4.23 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 1.21 0.00 0.00 92 G 8.09 3.78 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 0.00 93 D 7.82 4.76 0.00 2.66 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 94 S 8.82 4.15 0.00 4.03 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 95 A 8.09 4.47 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 96 A 7.77 4.15 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 97 K 8.80 4.24 0.00 1.96 1.76 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.59 7.81 98 T 8.48 4.85 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 1.28 0.00 0.00 99 K 9.20 4.31 0.00 1.98 1.97 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.54 7.81 100 M 7.98 4.74 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 101 T 8.44 4.52 4.25 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 1.25 0.00 0.00 102 F 8.26 4.05 0.00 2.99 2.94 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 0.00 103 K 7.49 4.38 0.00 1.47 1.60 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.45 7.81 104 L 8.59 4.48 0.00 1.84 1.71 1.03 0.75 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 0.00 105 G 8.53 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 0.00 0.00 0.00 106 K 7.15 4.69 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.42 7.81 107 N 8.85 4.67 0.00 2.96 2.96 0.00 0.00 6.84 7.56 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 0.00 108 Q 7.67 3.99 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 109 A 8.01 4.13 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 0.00 110 D 8.01 4.36 0.00 2.90 2.94 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 0.00 111 V 7.87 3.74 2.27 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 1.18 0.00 0.00 1.05 0.00 0.00 112 V 8.08 3.59 2.21 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 0.93 0.00 0.00 0.95 0.00 0.00 113 A 8.34 3.97 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 0.00 0.00 0.00 0.00 0.00 114 F 8.07 4.13 0.00 3.11 3.33 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 0.00 115 L 7.93 3.56 0.00 1.75 1.48 0.88 0.49 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 0.00 116 A 7.96 3.89 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 0.00 117 Q 7.70 3.84 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.38 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 118 H 7.42 4.57 0.00 2.61 2.61 0.00 5.61 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 0.00 119 S 7.25 4.81 0.00 3.78 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 0.00 120 P 0.00 4.10 0.00 2.17 2.14 0.00 3.56 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 *121 D 8.00 4.43 0.00 2.47 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 * Residues marked with a * may have inaccurate shift predictions.