NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4506 8.1476 120.3434 55.3441 33.5818 175.0772 2 N 5.1543 8.3288 121.3525 50.6429 40.6798 174.4432 3 I 3.3407 9.1711 120.5552 64.4607 38.2633 178.8610 4 S 4.1009 7.9928 115.3452 61.6402 62.6095 176.2421 5 D 4.3181 7.9734 121.1059 57.3711 40.5712 178.8009 6 V 3.4444 7.6584 118.5342 65.7051 31.3019 177.9828 7 A 4.1504 7.7868 121.8569 54.5144 18.0321 179.7737 8 K 3.8784 7.8356 115.6329 59.7416 32.2491 179.3661 9 I 3.8402 7.8343 119.2310 64.3070 37.1373 178.0000 10 T 4.2450 8.1983 108.9148 61.9314 69.2949 176.0305 11 G 3.9497 8.3944 109.9418 45.1080 0.0000 173.6928 12 L 4.3571 7.5597 120.0579 54.2000 42.7982 176.6691 13 T 4.2089 8.0746 111.5173 61.4334 71.2689 176.0747 14 S 4.1788 8.4692 117.7728 61.4938 62.8343 177.1826 15 K 3.9947 7.9959 120.8676 59.2554 31.8020 178.9948 16 A 3.8159 8.2363 121.3378 55.2329 18.2568 179.7580 17 I 3.8990 7.8468 118.3294 64.7472 37.0783 178.9779 18 R 4.0918 8.2867 118.9393 58.8951 29.8547 178.9555 19 F 4.1081 8.2774 120.7447 61.5401 39.4062 176.7605 20 Y 4.2681 8.0994 116.5823 61.0374 37.6399 178.4601 21 E 3.9435 8.1879 119.8205 59.4070 29.6520 178.3713 22 E 4.0694 8.1880 118.1546 58.8454 29.6246 177.9399 23 K 4.2846 7.6503 115.8794 55.1068 32.2352 176.7927 24 G 3.9971 8.0777 107.1119 46.5624 0.0000 175.2885 25 L 4.2232 8.0219 120.4973 55.9710 41.9871 177.3046 26 V 4.5956 7.2913 109.8533 59.1124 35.6352 175.1434 27 T 4.0140 9.3237 119.1085 63.0378 68.6739 173.2103 28 P 4.3857 0.0000 0.0000 61.8728 31.9928 174.5412 29 P 4.4189 0.0000 0.0000 62.7672 32.9301 176.0802 30 M 4.4668 8.1295 119.7282 54.8569 34.5538 175.0804 31 R 5.1538 8.3588 117.1792 54.9811 33.6510 176.3663 32 S 4.5859 8.5927 116.9727 56.7534 64.8793 174.8503 33 E 3.8362 8.6956 119.1969 59.2787 29.0352 178.0487 34 N 4.4199 8.0470 112.9956 52.8294 38.9606 175.5226 35 G 3.7348 8.1500 106.9196 45.5404 0.0000 173.1264 36 Y 4.9107 7.2132 116.8250 55.9292 39.6565 175.3828 37 R 4.4486 8.5936 121.5142 56.9362 30.9213 176.2026 38 T 4.8540 8.0513 118.8895 62.0730 71.2110 173.1913 39 Y 4.7329 9.2742 124.1010 56.4620 41.1024 174.6752 40 T 4.8157 8.5947 109.8698 58.9698 72.4552 174.4541 41 Q 4.0395 8.7189 121.2229 59.4518 28.6767 178.0931 42 Q 4.0846 7.8500 119.4971 59.4002 28.9638 177.9189 43 H 4.3044 8.3050 117.3423 58.8355 28.8065 177.7248 44 L 3.9882 8.0109 120.3424 57.8696 41.4455 179.2240 45 N 4.2286 8.3047 116.3676 56.2028 38.4027 177.3844 46 E 3.6908 8.1967 119.8812 59.4475 29.5816 179.4898 47 L 3.8019 8.1068 119.1879 57.8415 41.5406 179.8788 48 T 3.7739 7.8853 115.7638 66.3848 68.4283 176.3648 49 L 3.7419 7.6846 122.3252 58.1136 42.1358 178.6947 50 L 3.7487 7.8830 120.3309 58.2254 42.0549 179.0021 51 R 3.9314 8.0097 118.5812 59.5160 29.9443 178.4145 52 Q 4.0919 8.5608 117.9814 58.3840 28.9074 178.2656 53 A 4.1620 8.6133 122.4608 55.2123 18.5092 179.9496 54 R 4.5881 7.8995 117.5968 59.1751 30.0015 179.3415 55 Q 4.1953 8.0183 116.3825 57.7982 28.6025 178.1023 56 V 4.3463 7.0461 118.7348 61.9852 32.1866 175.8699 57 G 3.9918 7.8809 110.2573 46.6660 0.0000 175.5828 58 F 4.4595 8.0569 118.6575 57.2209 39.5754 175.3088 59 N 5.2236 9.7485 123.3770 51.7651 40.2622 175.9768 60 L 4.0671 8.4736 119.1510 58.3303 41.6077 179.2327 61 E 3.9754 8.2351 118.3726 59.4526 29.6373 178.4852 62 E 4.0182 9.3596 118.9419 59.6017 29.5532 179.6247 63 S 4.0867 8.6302 115.7066 61.4922 62.9038 176.9387 64 G 3.6352 8.5303 108.8362 47.8967 0.0000 175.6253 65 E 4.0390 8.5236 121.2199 59.0380 29.3981 179.3653 66 L 3.9265 7.9146 119.3282 57.5983 41.5603 179.6838 67 V 3.6210 7.7820 118.3799 65.9843 31.2165 177.8884 68 N 4.3904 7.8723 115.5406 56.2459 38.7678 177.1101 69 L 4.0949 8.0396 120.5373 57.4158 41.4727 179.0513 70 F 4.1531 8.1762 119.9315 61.6436 39.4623 176.8963 71 N 4.1155 8.0046 113.7672 54.3153 38.6069 175.1710 72 D 4.4400 7.1452 120.4603 53.2414 41.8415 174.4727 73 P 4.4084 0.0000 0.0000 65.5694 32.6967 178.3604 74 Q 4.4090 8.2868 121.1399 55.8682 28.6413 177.6822 *76 H 4.5720 8.6617 108.3102 55.8596 29.9443 174.3088 77 S 4.0635 8.0860 119.1511 61.9597 63.2456 177.6386 78 A 4.1656 7.9860 121.3614 54.0405 18.5868 178.3409 79 D 4.4607 8.7885 115.3050 55.8005 41.2870 177.8607 80 V 3.8622 7.5482 117.8381 64.9061 32.3064 177.4285 81 K 4.1532 8.1716 119.3334 59.1203 31.9717 178.9027 82 R 3.8720 7.7696 119.3145 59.5497 30.1411 178.5340 83 R 4.0341 7.5836 117.3325 59.7127 30.0514 179.2413 84 T 4.1678 8.5123 115.8085 66.8452 68.5353 176.7755 85 L 4.1191 8.1315 120.5972 57.3221 41.5142 179.0760 86 E 4.0091 8.1350 119.6928 58.8621 29.6851 178.5433 87 K 3.7866 8.1586 119.8301 59.2325 32.0173 179.0228 88 V 3.5714 7.5890 118.2203 65.6758 31.4552 177.9029 89 A 3.9629 7.8947 120.6514 55.0619 18.3109 179.2397 90 E 3.8910 8.4118 118.0817 59.4630 29.6327 179.1922 91 I 3.7852 7.6111 119.7567 64.3425 37.1498 178.2728 92 E 4.0009 8.5126 119.8259 59.4040 29.2195 179.6268 93 R 3.9891 8.0765 118.2848 59.3947 30.0949 178.5803 94 H 4.2105 8.0964 117.8486 59.2618 29.7942 177.4468 95 I 3.6677 8.0841 122.0946 64.2231 36.9559 177.8609 96 E 3.8946 8.5771 120.6005 59.4009 29.4776 178.5486 97 E 3.9543 8.3471 119.2071 59.3363 29.6260 178.7872 98 L 4.0342 8.1331 119.0565 57.7631 41.5512 179.4758 99 Q 3.9640 8.3214 118.2463 59.0782 28.6695 178.8028 100 S 4.0802 8.1385 114.0699 61.6956 62.3007 176.1843 101 M 4.0932 8.0860 121.4389 58.0533 31.6568 178.6729 102 R 3.8569 8.2392 119.1435 59.6542 30.3490 178.3301 103 D 4.3784 8.3543 118.9464 57.3525 40.7699 178.6242 104 Q 3.9665 8.0805 120.0605 59.2280 28.9998 178.3644 105 L 4.0166 8.1839 120.2299 57.7883 41.6880 179.4540 106 L 4.0017 8.4895 118.7932 56.9916 41.5945 179.4621 107 A 3.9948 7.9452 121.3483 55.0540 18.2868 179.5686 108 L 3.9390 7.6960 116.0147 57.9398 42.0920 179.3567 109 A 4.1224 8.3275 121.0147 55.1472 18.0717 179.2294 110 N 4.2859 7.9011 114.1465 56.5182 39.1148 176.4749 111 A 4.1963 7.6277 120.1338 52.6896 18.9334 177.0984 112 C 4.2720 7.4645 119.1681 58.2649 32.1839 172.8506 113 P 4.2403 0.0000 0.0000 63.6835 31.4933 176.3819 114 G 4.1035 7.4162 106.6696 46.3403 0.0000 171.5091 115 D 4.5942 7.4585 117.7594 52.4374 41.6064 175.1613 116 D 4.6330 8.7496 118.9654 54.0381 40.0966 176.4697 117 S 4.4874 8.0069 114.8666 57.5450 64.1878 174.4008 118 A 4.0744 8.4141 124.5245 54.7922 18.5164 178.1819 119 D 4.2980 8.0856 115.5268 55.3203 41.4089 176.4330 120 C 4.5503 8.4082 123.3533 56.6214 34.4255 172.5730 121 P 4.3552 0.0000 0.0000 65.1201 30.7871 178.9191 122 I 3.7069 7.5742 117.9410 64.5014 37.3925 177.8935 123 I 3.8466 7.6654 120.1094 64.2717 37.1229 178.0011 124 E 3.9918 8.1031 119.7614 59.1350 29.2370 177.7074 125 N 4.7812 7.8931 113.7686 53.1779 38.9569 175.6559 126 L 4.7177 7.7036 120.3621 53.9708 44.0676 176.8814 127 S 4.3798 7.6079 116.9945 58.2073 63.0310 173.8203 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 8.15 4.45 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 2 N 8.33 5.15 0.00 2.99 3.02 0.00 0.00 6.37 6.92 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 3 I 9.17 3.34 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.18 0.92 0.00 0.00 4 S 7.99 4.10 0.00 3.87 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 5 D 7.97 4.32 0.00 2.82 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 6 V 7.66 3.44 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 0.84 0.00 0.00 0.41 0.00 0.00 7 A 7.79 4.15 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 8 K 7.84 3.88 0.00 1.86 1.87 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 9 I 7.83 3.84 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.60 0.90 0.00 0.00 10 T 8.20 4.24 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 1.20 0.00 0.00 11 G 8.39 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 12 L 7.56 4.36 0.00 1.80 1.67 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.07 4.21 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 14 S 8.47 4.18 0.00 3.88 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 15 K 8.00 3.99 0.00 1.72 1.81 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.42 7.81 16 A 8.24 3.82 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 17 I 7.85 3.90 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.94 0.00 0.00 18 R 8.29 4.09 0.00 2.07 2.04 0.00 3.17 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 19 F 8.28 4.11 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 20 Y 8.10 4.27 0.00 3.27 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 21 E 8.19 3.94 0.00 2.13 2.18 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 2.33 2.35 0.00 22 E 8.19 4.07 0.00 2.06 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 2.26 2.34 0.00 23 K 7.65 4.28 0.00 1.43 1.62 0.00 1.42 0.00 0.00 0.61 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.98 1.28 7.81 24 G 8.08 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 0.00 0.00 0.00 25 L 8.02 4.22 0.00 1.89 1.74 1.12 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.29 4.60 2.33 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 0.70 0.00 0.00 1.05 0.00 0.00 27 T 9.32 4.01 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 1.22 0.00 0.00 28 P 0.00 4.39 0.00 2.03 1.98 0.00 3.68 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 2.03 2.08 0.00 29 P 0.00 4.42 0.00 1.45 0.93 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 30 M 8.13 4.47 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 31 R 8.36 5.15 0.00 1.61 1.75 0.00 3.51 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 32 S 8.59 4.59 0.00 4.02 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 33 E 8.70 3.84 0.00 1.95 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 2.31 2.29 0.00 34 N 8.05 4.42 0.00 2.37 2.35 0.00 0.00 7.09 7.65 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 35 G 8.15 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 36 Y 7.21 4.91 0.00 3.14 2.83 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 37 R 8.59 4.45 0.00 1.84 1.53 0.00 3.30 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 38 T 8.05 4.85 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 1.24 0.00 0.00 39 Y 9.27 4.73 0.00 2.77 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 40 T 8.59 4.82 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 1.27 0.00 0.00 41 Q 8.72 4.04 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 42 Q 7.85 4.08 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 43 H 8.31 4.30 0.00 3.59 3.61 0.00 5.68 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 44 L 8.01 3.99 0.00 1.89 1.72 0.94 0.70 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 45 N 8.30 4.23 0.00 2.99 2.67 0.00 0.00 7.04 6.99 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 46 E 8.20 3.69 0.00 2.01 1.94 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 2.45 2.74 0.00 47 L 8.11 3.80 0.00 1.63 1.68 0.93 1.07 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 48 T 7.89 3.77 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 1.14 0.00 0.00 49 L 7.68 3.74 0.00 1.47 1.53 0.72 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.88 3.75 0.00 1.72 1.39 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.01 3.93 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 52 Q 8.56 4.09 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 53 A 8.61 4.16 1.27 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 0.00 0.00 54 R 7.90 4.59 0.00 2.09 2.07 0.00 3.59 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 55 Q 8.02 4.20 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.33 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 56 V 7.05 4.35 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 1.05 0.00 0.00 0.95 0.00 0.00 57 G 7.88 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 58 F 8.06 4.46 0.00 3.40 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 59 N 9.75 5.22 0.00 3.01 3.04 0.00 0.00 6.85 7.07 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 60 L 8.47 4.07 0.00 1.82 1.89 1.22 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.24 3.98 0.00 2.07 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 0.00 2.50 2.43 0.00 62 E 9.36 4.02 0.00 2.38 2.22 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 2.45 2.68 0.00 63 S 8.63 4.09 0.00 4.07 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 64 G 8.53 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 65 E 8.52 4.04 0.00 2.11 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 2.32 2.61 0.00 66 L 7.91 3.93 0.00 1.64 1.51 -0.16 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.78 3.62 2.22 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 1.10 0.00 0.00 0.85 0.00 0.00 68 N 7.87 4.39 0.00 2.91 2.85 0.00 0.00 7.09 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 69 L 8.04 4.09 0.00 1.86 1.70 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.18 4.15 0.00 2.94 3.30 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 71 N 8.00 4.12 0.00 2.75 2.81 0.00 0.00 7.07 8.20 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 72 D 7.15 4.44 0.00 2.80 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 73 P 0.00 4.41 0.00 2.04 2.05 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 74 Q 8.29 4.41 0.00 1.91 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.18 0.00 0.00 0.00 0.00 0.00 1.94 2.19 0.00 *76 H 8.66 4.57 0.00 3.29 3.33 0.00 5.91 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.09 4.06 0.00 3.89 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 78 A 7.99 4.17 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 79 D 8.79 4.46 0.00 2.82 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 80 V 7.55 3.86 2.22 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 0.99 0.00 0.00 0.97 0.00 0.00 81 K 8.17 4.15 0.00 2.00 1.81 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 82 R 7.77 3.87 0.00 2.17 1.93 0.00 3.18 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 83 R 7.58 4.03 0.00 2.22 2.12 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 84 T 8.51 4.17 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 85 L 8.13 4.12 0.00 1.90 1.73 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.13 4.01 0.00 2.21 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 2.32 2.48 0.00 87 K 8.16 3.79 0.00 1.57 1.76 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.85 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.64 1.14 7.81 88 V 7.59 3.57 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 0.96 0.00 0.00 89 A 7.89 3.96 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 90 E 8.41 3.89 0.00 2.10 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 2.27 2.32 0.00 91 I 7.61 3.79 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.87 0.00 0.00 92 E 8.51 4.00 0.00 2.12 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 0.00 2.32 2.58 0.00 93 R 8.08 3.99 0.00 2.12 1.97 0.00 3.12 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 94 H 8.10 4.21 0.00 3.34 3.42 0.00 5.59 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 95 I 8.08 3.67 2.02 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 1.36 0.60 0.90 0.00 0.00 96 E 8.58 3.89 0.00 2.07 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 0.00 2.31 2.33 0.00 97 E 8.35 3.95 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 98 L 8.13 4.03 0.00 1.86 1.69 0.81 0.99 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 99 Q 8.32 3.96 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 100 S 8.14 4.08 0.00 3.90 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 0.00 101 M 8.09 4.09 0.00 2.13 2.21 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 2.83 2.54 0.00 102 R 8.24 3.86 0.00 1.92 2.11 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 103 D 8.35 4.38 0.00 2.74 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 0.00 104 Q 8.08 3.97 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 105 L 8.18 4.02 0.00 1.85 1.70 0.92 0.87 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 0.00 106 L 8.49 4.00 0.00 1.70 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.95 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.94 0.00 1.78 1.75 0.92 0.94 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 0.00 109 A 8.33 4.12 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 0.00 110 N 7.90 4.29 0.00 2.78 3.01 0.00 0.00 7.23 8.75 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 0.00 111 A 7.63 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 0.00 112 C 7.46 4.27 0.00 3.13 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 0.00 113 P 0.00 4.24 0.00 2.24 2.10 0.00 3.88 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 2.02 2.08 0.00 114 G 7.42 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 0.00 0.00 0.00 115 D 7.46 4.59 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.63 0.00 2.80 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 0.00 117 S 8.01 4.49 0.00 4.02 3.90 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 0.00 118 A 8.41 4.07 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 0.00 119 D 8.09 4.30 0.00 2.67 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 0.00 120 C 8.41 4.55 0.00 3.02 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 0.00 121 P 0.00 4.36 0.00 2.20 2.08 0.00 3.65 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 2.29 2.17 0.00 122 I 7.57 3.71 1.87 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 1.64 0.46 0.91 0.00 0.00 123 I 7.67 3.85 1.87 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 1.52 0.96 0.91 0.00 0.00 124 E 8.10 3.99 0.00 2.21 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 2.30 2.35 0.00 125 N 7.89 4.78 0.00 2.87 2.81 0.00 0.00 6.88 7.46 0.00 0.00 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 L 7.70 4.72 0.00 1.75 1.65 0.92 0.76 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 0.00 127 S 7.61 4.38 0.00 4.06 3.81 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 * Residues marked with a * may have inaccurate shift predictions.