NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4630 8.0427 122.5044 55.2726 44.0361 178.6751 8 N 4.3741 8.2823 114.9991 55.7265 39.2867 171.0829 9 V 3.7643 8.6560 120.5369 66.1160 31.8163 177.2215 10 L 4.1404 8.0164 116.8808 58.2581 41.5994 179.2490 11 Q 4.3814 8.1564 116.4448 58.2454 29.8236 177.7660 12 T 4.3573 7.4668 118.6960 61.6072 66.2781 172.6617 *14 N 4.6144 7.3691 119.1605 52.1742 39.5399 175.6026 15 A 4.0510 8.7161 119.2159 55.7830 18.0635 179.6001 16 Q 3.9667 8.1562 117.2352 59.2245 29.1451 177.8667 17 E 3.9101 8.6600 120.5554 59.1935 29.7270 178.2205 18 Y 3.9506 7.8409 116.4331 61.3323 37.9242 178.7552 19 E 4.0654 8.2957 119.2211 59.4233 29.5526 179.1205 20 D 4.3826 8.5155 119.4531 57.3284 40.6505 178.9787 21 I 3.7356 7.9746 120.6584 64.2618 36.9244 178.5816 22 R 4.0105 7.7351 115.3561 59.4149 29.2387 178.4980 23 A 4.0906 8.2767 120.7026 54.6528 18.3979 179.0982 24 A 4.1797 8.0284 118.9370 52.3945 18.8445 177.7830 25 G 4.2088 6.7425 104.3277 44.0723 0.0000 173.5525 26 S 4.0893 8.1124 113.6177 61.2832 62.2813 175.6687 27 D 4.3194 8.0085 121.0909 57.4994 40.6835 178.4276 28 E 3.9588 8.1232 118.4795 59.3836 29.4985 179.2982 29 R 3.8678 8.1277 118.6736 59.3296 30.1071 178.2821 30 R 4.0093 8.1565 118.6188 59.8162 30.0362 178.2923 31 E 3.9908 8.1924 118.1371 59.2395 29.4169 179.1583 32 L 3.9919 7.9664 120.4155 58.3813 41.9548 179.1139 33 T 3.9386 8.1719 114.9639 67.1759 68.5178 176.0250 34 H 4.5137 8.4436 116.8476 58.7796 28.7515 177.4781 35 A 4.2544 7.9754 121.9265 55.0264 18.5261 180.1306 36 V 3.4038 7.6350 112.9035 64.3782 31.2561 177.4549 *38 R 4.3180 7.8944 118.4496 55.9545 31.4993 176.0829 39 E 4.2974 8.2712 115.2046 57.1721 29.9449 176.3215 40 L 4.7498 7.7370 118.1437 52.8907 44.0340 175.2046 41 D 4.8763 8.5215 120.9380 52.3090 42.9261 176.2142 42 A 4.2686 8.5420 127.4394 50.8830 19.4473 175.3624 43 P 4.2669 0.0000 0.0000 61.8751 32.0712 175.7713 44 D 4.4653 8.2756 119.8564 56.2073 41.1986 176.4849 45 N 4.4601 9.1462 118.3379 53.8194 36.0135 173.6285 46 W 5.0581 8.0783 117.0127 55.1691 32.9354 175.8314 47 T 4.8134 8.4474 112.0208 60.8401 71.7482 172.5111 *49 N 4.7579 8.6600 116.5541 53.6685 40.3213 173.9493 50 G 4.2090 8.4187 109.6112 44.3435 0.0000 172.7165 51 E 3.5429 8.6891 123.8940 55.9275 30.0202 176.9817 52 Y 4.6611 8.8548 124.6971 58.3819 40.8230 176.4142 53 G 4.1366 8.4032 104.4332 45.7212 0.0000 173.5166 54 S 4.7747 8.8380 117.9715 57.4772 63.4208 175.6709 55 E 4.0492 8.2097 120.4746 59.1953 29.5079 177.2995 56 F 5.0760 8.2559 116.9542 57.3975 37.8559 175.9187 57 G 3.6809 8.1641 112.6282 44.1274 0.0000 176.1093 58 G 3.8964 8.3786 106.0879 46.9090 0.0000 174.7504 59 F 4.0578 7.1701 118.8059 58.9971 38.9592 175.8954 60 F 5.0190 7.5883 117.4868 54.6638 41.8315 173.1533 61 P 4.4023 0.0000 0.0000 65.0493 31.5982 176.8641 62 V 4.5493 8.0880 117.6278 60.9572 34.6989 174.5013 63 Q 5.0589 8.7032 127.6477 54.6437 32.5031 173.2250 64 V 4.7648 9.0005 126.9735 61.1750 34.0629 174.2824 65 R 4.9091 8.9242 127.0992 54.4772 32.1480 175.6478 66 F 5.3109 9.3640 121.7834 56.1447 42.3861 174.4044 67 T 4.5132 8.8507 120.0367 60.7312 72.3471 172.3324 68 P 3.3746 0.0000 0.0000 61.5874 31.9728 177.2723 69 A 3.9068 7.6386 123.4413 55.3169 18.1644 179.0203 70 H 4.2572 7.7520 110.6417 56.4838 28.9733 175.9473 71 E 4.1572 7.5391 118.1556 57.2881 27.5070 176.0174 72 R 4.1253 7.5783 120.3624 58.9240 30.3224 176.0891 73 F 5.4496 7.0932 110.6665 56.5527 40.9017 172.4334 74 H 4.9775 9.4036 114.0504 54.4790 32.4386 172.0947 75 L 5.4666 9.3554 118.3669 53.0387 45.1788 175.6667 76 A 5.2585 8.9444 122.8158 50.2297 22.5078 174.6604 77 L 5.0482 9.4680 125.5333 54.1540 43.9476 174.9597 78 C 5.0478 9.1960 124.6304 57.7354 30.8445 174.1533 79 S 2.7900 8.2595 118.7402 56.0756 63.8413 172.2890 80 P 4.2315 0.0000 0.0000 62.3358 31.5748 177.7153 81 G 4.0999 8.3371 108.8245 46.6216 0.0000 174.7817 82 D 4.3394 9.2729 120.9909 57.5036 41.1477 178.1728 83 V 3.7790 7.8086 117.4554 65.0725 32.0470 176.0663 84 S 4.6880 7.6225 110.4903 56.5381 65.1686 174.4007 85 Q 4.2488 8.7741 125.2872 57.5168 29.0136 176.0761 86 V 4.6506 7.1412 109.8283 58.5994 35.4243 175.7058 87 W 4.3096 9.0139 123.1231 57.1515 30.1739 175.6701 88 V 4.8455 8.8407 117.6395 59.4076 34.7883 174.2225 89 L 5.1599 9.1931 127.2617 53.5840 43.9802 175.4984 90 V 4.7277 8.7010 119.3811 59.3621 35.5277 174.2888 91 L 5.1093 8.3788 125.1847 53.2754 44.6980 175.1179 92 V 4.7218 8.8709 126.6227 61.0374 33.9109 174.3536 93 N 5.0358 9.1043 126.9341 52.6675 40.4156 173.9696 94 A 4.0112 8.5563 126.4928 54.1835 18.7453 178.5268 95 G 3.8398 9.0298 110.0841 45.1851 0.0000 174.4316 96 G 3.9657 9.9286 107.3499 45.2101 0.0000 173.3716 97 E 4.6957 7.5678 117.9812 54.0772 32.7211 173.0138 98 P 4.7029 0.0000 0.0000 62.9497 33.0633 174.6620 99 F 5.4223 8.4662 121.2160 56.9917 42.6550 173.2047 100 A 4.1979 7.3219 124.0866 50.5082 23.1143 175.6132 101 V 3.9056 8.0610 120.5756 63.0342 31.2242 176.2441 102 V 4.1218 8.9133 121.7308 62.2455 33.4048 175.6650 103 Q 4.5825 7.5330 119.4706 54.9815 32.2298 172.7778 104 V 4.9825 8.4480 124.8416 61.2780 34.9385 174.5794 105 Q 4.5239 9.1730 125.1233 54.3510 32.0401 176.5073 106 R 4.0321 9.1476 123.6777 58.4439 30.5275 177.3457 107 R 4.8055 7.7102 115.0676 53.6109 32.9883 174.7973 108 F 3.4923 9.2951 123.6071 59.0212 39.6062 175.2373 109 A 4.1882 8.1220 130.2455 49.2668 19.6286 176.1400 110 S 3.2754 7.2636 118.6258 61.8595 63.2043 176.4246 111 E 3.8751 7.8186 121.5354 58.8972 29.2415 179.0357 112 A 3.8681 7.6490 120.4582 54.7752 18.4112 179.7081 113 V 3.3375 7.3715 116.3951 66.3345 31.5907 178.3950 114 S 3.8721 7.8042 114.7965 61.8507 62.6231 176.5890 115 H 3.9556 8.2660 118.7967 58.9613 28.4351 178.0211 116 S 4.0563 7.9557 116.8986 61.5312 62.5841 176.8517 117 L 3.6807 7.8911 121.5444 57.5858 41.2669 179.4172 118 A 3.6771 7.9010 120.9007 54.7533 18.1449 179.5265 119 L 3.7757 7.8890 118.7703 58.0748 42.2020 178.8675 120 A 4.0039 8.0326 120.6181 55.3177 18.3349 179.5009 121 A 4.3391 7.8669 119.1934 55.2541 18.3707 179.8480 122 S 4.0145 8.1711 111.6470 61.6770 62.5444 176.3847 123 L 4.0688 8.2533 122.0836 57.7608 41.3615 179.1099 124 D 4.5224 8.4639 117.9874 57.7503 41.0631 178.3568 125 T 4.0114 7.8733 114.9460 66.8344 68.6295 176.1387 126 Q 4.3587 8.0388 115.8459 56.3717 28.5517 176.9366 127 G 3.9007 7.8725 108.0343 46.0705 0.0000 173.7137 128 Y 4.0446 8.0941 117.1312 57.1811 38.5325 176.9266 129 S 4.3949 8.4523 118.3855 58.0672 65.2896 175.5973 130 V 3.3203 8.2291 122.3182 66.2111 31.3491 177.8187 131 N 4.2411 8.2032 115.6971 56.7800 38.3916 176.8899 132 D 4.4512 7.9602 119.4520 57.1792 40.9382 178.8936 133 I 3.6104 8.1038 120.8090 64.2939 36.8590 178.1870 134 I 3.5516 7.6005 119.6551 64.9190 37.0795 177.4755 135 H 4.2352 7.7960 116.8875 59.3870 29.8439 177.1234 136 I 3.8418 7.8359 121.4838 64.0365 36.9658 179.7364 137 L 4.2464 8.1650 120.3229 54.4263 41.3113 179.3456 *139 A 4.1813 7.9948 122.7126 52.2491 20.4526 179.5767 140 E 3.8396 8.3210 115.5288 59.1536 29.6694 177.9970 141 G 3.6675 8.1060 105.5545 45.1215 0.0000 174.4013 142 G 3.8448 7.7018 108.0342 45.8351 0.0000 173.9013 143 Q 4.1364 7.8299 123.4188 55.8823 28.8762 175.7532 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 7 L 8.04 4.46 0.00 1.96 1.77 0.98 0.21 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 8 N 8.28 4.37 0.00 2.87 2.86 0.00 0.00 6.89 6.83 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 9 V 8.66 3.76 2.11 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 1.00 0.00 0.00 0.95 0.00 0.00 10 L 8.02 4.14 0.00 2.09 1.96 0.98 1.00 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 11 Q 8.16 4.38 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.47 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 12 T 7.47 4.36 4.52 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 1.24 0.00 0.00 *14 N 7.37 4.61 0.00 3.04 3.08 0.00 0.00 5.96 7.84 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 15 A 8.72 4.05 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 16 Q 8.16 3.97 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 17 E 8.66 3.91 0.00 2.19 1.79 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 2.23 2.31 0.00 18 Y 7.84 3.95 0.00 3.20 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 19 E 8.30 4.07 0.00 2.17 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 0.00 2.37 2.69 0.00 20 D 8.52 4.38 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 21 I 7.97 3.74 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 0.90 0.00 0.00 22 R 7.74 4.01 0.00 2.02 2.10 0.00 3.05 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 23 A 8.28 4.09 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 24 A 8.03 4.18 1.37 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 0.00 0.00 0.00 25 G 6.74 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 0.00 0.00 0.00 0.00 26 S 8.11 4.09 0.00 3.89 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 27 D 8.01 4.32 0.00 2.72 2.69 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 28 E 8.12 3.96 0.00 2.20 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 2.39 2.42 0.00 29 R 8.13 3.87 0.00 2.06 2.07 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 30 R 8.16 4.01 0.00 2.02 2.13 0.00 3.00 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 31 E 8.19 3.99 0.00 2.18 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 0.00 2.55 2.47 0.00 32 L 7.97 3.99 0.00 1.79 1.88 0.88 0.91 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 33 T 8.17 3.94 4.47 0.00 0.00 0.00 0.00 0.00 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 34 H 8.44 4.51 0.00 3.15 3.41 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.98 4.25 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 36 V 7.63 3.40 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 0.92 0.00 0.00 0.98 0.00 0.00 *38 R 7.89 4.32 0.00 2.07 2.23 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 39 E 8.27 4.30 0.00 2.28 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 0.00 2.72 2.74 0.00 40 L 7.74 4.75 0.00 1.81 1.68 1.29 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.52 4.88 0.00 2.52 2.50 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 0.00 42 A 8.54 4.27 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 43 P 0.00 4.27 0.00 1.23 1.46 0.00 3.32 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 44 D 8.28 4.47 0.00 2.66 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 45 N 9.15 4.46 0.00 3.10 3.02 0.00 0.00 6.89 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 46 W 8.08 5.06 0.00 3.32 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 47 T 8.45 4.81 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 1.24 0.00 0.00 *49 N 8.66 4.76 0.00 2.84 2.99 0.00 0.00 6.66 7.95 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 50 G 8.42 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 0.00 0.00 0.00 0.00 51 E 8.69 3.54 0.00 1.94 1.72 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 2.16 1.92 0.00 52 Y 8.85 4.66 0.00 2.94 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 53 G 8.40 4.14 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 0.00 0.00 0.00 54 S 8.84 4.77 0.00 3.83 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 55 E 8.21 4.05 0.00 2.08 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 1.55 1.98 0.00 56 F 8.26 5.08 0.00 3.17 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 57 G 8.16 3.68 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 0.00 0.00 0.00 58 G 8.38 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 0.00 0.00 0.00 59 F 7.17 4.06 0.00 1.86 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 0.00 0.00 0.00 60 F 7.59 5.02 0.00 3.14 2.82 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 0.00 0.00 0.00 61 P 0.00 4.40 0.00 2.14 2.39 0.00 3.73 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 2.22 2.39 0.00 62 V 8.09 4.55 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 1.10 0.00 0.00 1.09 0.00 0.00 63 Q 8.70 5.06 0.00 2.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 64 V 9.00 4.76 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 0.38 0.00 0.00 1.01 0.00 0.00 65 R 8.92 4.91 0.00 1.27 1.52 0.00 2.21 0.00 0.00 2.52 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 0.00 66 F 9.36 5.31 0.00 3.25 3.34 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 67 T 8.85 4.51 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 0.94 0.00 0.00 68 P 0.00 3.37 0.00 1.07 0.66 0.00 2.81 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.00 69 A 7.64 3.91 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 70 H 7.75 4.26 0.00 3.30 3.54 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.54 4.16 0.00 2.07 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 2.10 2.36 0.00 72 R 7.58 4.13 0.00 1.97 2.13 0.00 3.18 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 73 F 7.09 5.45 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.40 4.98 0.00 3.28 3.26 0.00 5.21 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 9.36 5.47 0.00 2.03 1.82 1.45 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.94 5.26 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 77 L 9.47 5.05 0.00 2.20 1.92 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 C 9.20 5.05 0.00 1.97 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 79 S 8.26 2.79 0.00 2.72 3.07 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 0.00 0.00 0.00 0.00 80 P 0.00 4.23 0.00 1.56 1.98 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 81 G 8.34 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 82 D 9.27 4.34 0.00 2.66 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 V 7.81 3.78 2.11 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 0.78 0.00 0.00 0.91 0.00 0.00 84 S 7.62 4.69 0.00 4.00 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 85 Q 8.77 4.25 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 86 V 7.14 4.65 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 0.73 0.00 0.00 0.95 0.00 0.00 87 W 9.01 4.31 0.00 3.47 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 88 V 8.84 4.85 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 0.68 0.00 0.00 0.74 0.00 0.00 89 L 9.19 5.16 0.00 1.74 1.51 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.70 4.73 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 0.70 0.00 0.00 1.11 0.00 0.00 91 L 8.38 5.11 0.00 1.62 1.34 0.77 0.98 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 92 V 8.87 4.72 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 1.12 0.00 0.00 1.11 0.00 0.00 93 N 9.10 5.04 0.00 3.03 2.78 0.00 0.00 6.59 8.02 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 94 A 8.56 4.01 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 95 G 9.03 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 96 G 9.93 3.97 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 0.00 0.00 0.00 97 E 7.57 4.70 0.00 1.93 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 2.24 2.25 0.00 98 P 0.00 4.70 0.00 2.15 2.27 0.00 3.88 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 2.05 2.05 0.00 99 F 8.47 5.42 0.00 3.14 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 0.00 100 A 7.32 4.20 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 0.00 101 V 8.06 3.91 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 0.79 0.00 0.00 0.97 0.00 0.00 102 V 8.91 4.12 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 0.63 0.00 0.00 0.91 0.00 0.00 103 Q 7.53 4.58 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 104 V 8.45 4.98 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 0.91 0.00 0.00 0.95 0.00 0.00 105 Q 9.17 4.52 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 106 R 9.15 4.03 0.00 1.86 2.06 0.00 3.18 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 107 R 7.71 4.81 0.00 1.82 1.90 0.00 3.31 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.68 0.00 108 F 9.30 3.49 0.00 2.61 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 0.00 109 A 8.12 4.19 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 0.00 110 S 7.26 3.28 0.00 4.02 3.50 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 0.00 111 E 7.82 3.88 0.00 1.87 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 2.31 2.26 0.00 112 A 7.65 3.87 1.19 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 0.00 113 V 7.37 3.34 2.02 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 0.91 0.00 0.00 0.81 0.00 0.00 114 S 7.80 3.87 0.00 3.90 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 0.00 115 H 8.27 3.96 0.00 3.33 3.26 0.00 5.82 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 S 7.96 4.06 0.00 3.88 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 0.00 117 L 7.89 3.68 0.00 1.43 1.14 -0.38 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.90 3.68 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 0.00 0.00 0.00 0.00 0.00 119 L 7.89 3.78 0.00 1.78 1.73 0.82 0.90 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 0.00 120 A 8.03 4.00 1.53 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 0.00 121 A 7.87 4.34 0.94 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 0.00 0.00 122 S 8.17 4.01 0.00 4.05 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 0.00 123 L 8.25 4.07 0.00 1.81 1.58 0.73 0.08 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 0.00 124 D 8.46 4.52 0.00 3.34 3.23 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 0.00 125 T 7.87 4.01 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 126 Q 8.04 4.36 0.00 2.52 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.19 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 127 G 7.87 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 0.00 0.00 0.00 128 Y 8.09 4.04 0.00 3.15 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 S 8.45 4.39 0.00 4.05 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 0.00 130 V 8.23 3.32 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 0.92 0.00 0.00 0.60 0.00 0.00 131 N 8.20 4.24 0.00 2.76 2.86 0.00 0.00 7.15 8.08 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 0.00 132 D 7.96 4.45 0.00 3.03 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 0.00 133 I 8.10 3.61 1.81 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 1.49 0.76 0.81 0.00 0.00 134 I 7.60 3.55 1.98 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 1.28 0.45 0.85 0.00 0.00 135 H 7.80 4.24 0.00 3.09 3.33 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.84 3.84 1.78 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 0.76 0.00 0.00 137 L 8.17 4.25 0.00 1.56 1.60 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.99 4.18 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 0.00 140 E 8.32 3.84 0.00 1.85 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 2.25 2.33 0.00 141 G 8.11 3.67 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 0.00 0.00 0.00 142 G 7.70 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 0.00 143 Q 7.83 4.14 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.