NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4376 8.3001 120.3309 54.7748 33.5837 174.8518 2 A 4.1829 8.3630 122.7303 51.8033 19.9526 174.7770 3 L 5.2271 8.7361 120.1044 52.9367 45.4107 173.9472 4 V 4.9140 8.9367 123.0484 61.1092 34.5562 173.8549 5 F 5.2190 9.4277 131.1938 57.3608 40.1871 175.0191 6 V 4.3583 8.6671 120.5979 59.6820 33.6333 176.1257 7 Y 4.6567 7.7413 120.3755 56.1079 40.6559 176.1853 8 G 3.7433 6.5655 109.5663 45.7793 0.0000 175.8508 9 T 4.0782 7.9863 115.3859 62.7621 68.7847 175.6456 10 L 4.0676 7.3753 121.8801 55.6703 42.5109 176.9713 11 K 4.4149 7.5422 118.4984 55.7898 32.5967 176.5173 12 R 3.5877 8.6775 120.5259 58.2440 30.2530 177.7729 13 G 3.9052 8.8219 110.4890 45.3787 0.0000 173.2284 14 Q 4.5492 7.7705 118.7858 53.6418 30.4650 175.0714 15 P 4.3526 0.0000 0.0000 65.1408 31.7011 177.3885 16 N 4.8852 8.2195 114.3142 53.1712 39.1100 175.8619 17 H 4.1726 8.4149 122.6062 58.6604 29.6909 177.1244 18 R 3.8644 8.0978 117.3014 59.6574 28.6230 178.9778 19 V 3.5912 7.4081 111.7693 63.7666 31.4980 178.0664 20 L 3.9449 7.4919 118.0795 56.5411 41.4968 177.8214 21 R 4.1867 7.2703 115.4874 55.9602 30.8262 176.4172 22 D 4.5089 7.5595 118.8317 52.9652 41.5901 176.5148 23 G 3.5917 8.4388 114.5984 46.0642 0.0000 173.3909 24 A 4.0212 7.7493 122.1928 54.8537 18.7352 178.3352 25 H 4.4404 7.9908 113.6747 57.4951 29.4819 174.7834 26 G 4.1197 8.3409 106.8896 43.5460 0.0000 172.2533 27 S 5.0233 9.0080 113.3901 56.5410 66.4517 173.5171 28 A 5.2301 8.5139 122.3625 50.5000 21.9713 175.0568 29 A 4.8464 9.1635 124.7242 49.5875 22.0222 175.2462 30 F 3.6394 9.2374 125.5185 58.8917 39.3859 174.4000 31 R 4.3635 7.7490 124.6082 57.4103 32.1388 176.2336 32 A 4.2560 6.0124 116.8235 50.5456 22.7425 175.3915 33 R 4.4709 8.5618 121.0629 56.2412 31.6134 175.6586 34 G 4.7719 9.2864 112.2838 44.8975 0.0000 170.9884 35 R 5.3854 8.7839 119.4906 54.4120 33.6103 174.4142 36 T 3.9398 8.7124 117.2418 62.3049 68.6743 174.4232 37 L 4.2075 8.5111 124.1025 56.9625 42.3132 177.1279 38 E 4.8667 8.0719 116.8950 53.6721 31.9693 174.4682 39 P 4.7976 0.0000 0.0000 63.1411 33.2654 174.5954 40 Y 5.0904 8.7415 117.7407 54.6115 43.0433 172.7336 41 P 4.4482 0.0000 0.0000 62.3103 32.7971 174.9335 42 L 5.0657 8.6302 127.2942 53.4812 44.2078 175.3058 43 V 4.8740 8.6752 119.3230 59.6207 35.9195 174.8626 44 I 4.8124 8.3602 123.8575 60.1428 38.3026 174.9743 45 A 4.2177 8.8358 128.1109 51.3549 22.9951 176.5523 46 G 4.2336 8.6345 104.6910 45.1217 0.0000 174.6273 47 E 4.0397 8.5550 117.3775 58.9891 29.6282 177.9946 48 H 4.7868 8.1219 113.6593 54.3561 29.5840 174.4393 49 N 4.3558 7.9318 116.2402 54.3003 36.6189 174.5739 50 I 4.0797 7.2587 117.2760 60.3240 38.9098 174.8069 51 P 4.7109 0.0000 0.0000 62.0322 32.4359 175.2735 52 W 4.9781 9.2318 124.4514 54.7045 32.2434 174.6590 53 L 4.4021 8.9699 127.8236 53.9332 41.8993 175.3908 54 L 4.3794 8.5600 127.3175 54.6621 42.1183 178.1614 55 H 4.7685 9.1242 125.7525 54.4161 27.5014 175.1927 56 L 4.8678 7.1994 124.4950 52.1191 42.7913 175.2536 57 P 3.4814 0.0000 0.0000 64.2859 31.8346 177.2642 58 G 3.9305 9.2579 110.0739 45.1472 0.0000 172.8432 59 S 4.7055 7.6241 113.6059 57.2005 67.3087 174.9131 60 G 4.2029 9.2936 108.1725 45.2847 0.0000 174.8164 61 R 4.8253 8.9271 122.3780 53.9235 35.0010 173.6664 62 L 4.4885 8.6101 121.1029 55.0826 42.5016 176.6440 63 V 4.6252 8.6643 123.6316 61.1612 33.5546 174.7989 64 E 4.7030 9.5041 128.5965 56.9699 30.3862 177.0249 65 G 3.7992 8.6293 108.1338 46.1928 0.0000 171.4086 66 E 5.2185 8.2280 118.6801 54.5502 33.8395 175.1884 67 V 4.7655 8.5290 124.2175 61.7194 33.4118 174.0645 68 Y 5.0507 9.0521 125.2943 56.0314 41.4139 174.5538 69 A 4.9078 9.0175 125.8787 51.3268 20.0573 176.7518 70 V 5.3698 8.9399 116.3499 58.6582 35.3155 175.7627 71 D 4.7327 8.0327 120.7131 52.5227 41.4034 177.1728 72 E 4.0480 8.8099 117.1536 59.3490 29.2686 179.7124 73 R 3.9477 8.0852 117.8537 59.6352 30.2343 178.6287 74 M 4.6212 8.2209 118.7377 57.9231 32.2663 177.7863 75 L 4.0222 8.0956 120.6707 58.2810 42.0138 179.2374 76 R 3.9277 8.1655 118.0409 58.9692 29.9673 178.6991 77 F 4.0704 8.3859 120.5025 61.4950 39.4705 177.3025 78 L 3.8573 8.4582 118.8296 57.6007 41.3083 179.1321 79 D 4.4498 8.2678 119.0699 57.7095 40.8141 178.6994 80 D 4.2676 7.6791 118.9080 56.9294 40.6141 178.3872 81 F 3.7512 7.8403 120.9124 60.8424 39.6699 176.0849 82 E 4.1021 7.9063 115.7912 54.8824 29.8544 176.2648 83 S 3.8769 7.8765 114.8142 59.6852 61.0995 172.2229 84 C 5.4273 8.3351 115.8813 58.5486 28.8404 172.6871 85 P 4.8743 0.0000 0.0000 62.9894 31.6358 176.7924 86 A 4.0784 8.0465 122.7839 54.7480 18.4188 177.7701 87 L 4.3855 7.9953 115.4628 56.3133 43.6644 175.9048 88 Y 5.2148 7.8477 113.9427 56.5988 41.3440 174.0740 89 Q 5.0031 9.4676 119.1450 54.1768 33.1409 175.0335 90 R 4.5865 8.7886 123.4423 56.1462 30.7958 175.1712 91 T 4.9069 8.9499 117.1620 60.0087 72.5129 172.8979 92 V 5.1252 8.2801 113.5303 59.9403 34.9049 175.0835 93 L 4.5564 8.5499 121.8430 55.0962 44.5328 173.5957 94 R 4.8539 8.4333 119.5941 54.7723 32.1695 174.7261 95 V 4.4768 8.4526 125.8141 60.8876 34.8231 173.9789 96 Q 4.6412 8.9552 129.5031 55.5501 30.2128 174.6405 97 L 4.6854 8.7850 127.7345 54.5093 42.6247 176.3376 98 L 4.6669 8.8180 126.8250 52.9955 43.0718 176.6857 99 E 4.4934 8.7564 118.8367 55.9564 29.6398 172.8514 *106 E 4.3557 9.0789 116.9419 56.8566 30.8431 174.8604 107 E 4.4918 7.8054 117.9787 53.5607 31.6532 173.3273 108 P 4.4246 0.0000 0.0000 61.5942 32.1195 174.7931 109 P 4.5303 0.0000 0.0000 62.0186 32.2212 175.8680 110 A 4.1436 8.2043 122.2259 51.1471 18.9362 176.0091 111 P 4.3643 0.0000 0.0000 63.6658 32.0021 176.2551 112 T 4.7195 8.4838 108.5860 61.1552 70.4158 172.7303 113 A 5.4034 7.9382 122.7383 50.5494 22.4958 176.1543 114 V 4.4236 8.5931 119.1695 60.0293 35.1871 173.9567 115 Q 4.4977 8.6402 125.6226 56.4528 29.7925 174.6774 116 C 4.9691 8.9237 122.7800 57.6895 33.0682 173.6065 117 F 5.1805 8.7482 120.0806 57.9322 39.9264 174.9782 118 V 4.7576 8.7648 119.7389 60.7967 35.3468 173.3515 119 Y 5.1008 8.7614 120.1450 57.0098 38.7238 174.9840 120 S 5.3293 9.2393 119.1305 56.4386 67.2239 172.8641 121 R 5.1281 9.1261 119.2838 54.9220 32.0872 175.6563 122 A 4.3508 9.2988 129.7595 53.7367 19.4246 177.2650 123 T 4.2244 7.7488 112.2790 61.5807 70.4769 173.2965 124 F 4.3185 7.1994 119.7430 54.2345 40.7608 172.1760 125 P 3.8968 0.0000 0.0000 62.4654 31.5321 175.9548 126 P 4.3300 0.0000 0.0000 65.4310 31.2778 178.4392 127 E 4.1884 8.2462 115.8165 58.8411 29.5183 178.8979 128 W 4.4488 8.6955 120.3371 59.7513 28.8309 177.8718 129 A 4.2528 8.3251 119.6030 54.2045 17.9042 178.4828 130 Q 4.4381 7.8688 114.6288 54.9867 29.5024 175.8368 131 L 4.2639 7.1568 120.3430 53.4851 42.3871 175.0993 132 P 4.2335 0.0000 0.0000 63.4674 31.6727 175.9287 133 H 5.0251 8.5407 119.6761 55.1153 29.9265 174.2545 134 H 4.9830 8.8835 121.6015 54.0980 30.8136 174.5509 135 D 4.6882 8.6860 122.6912 54.8965 40.2097 176.0160 136 S 4.7737 7.7975 113.3382 56.4921 64.2455 172.3944 137 Y 4.2350 8.6593 129.5246 57.3628 39.5132 174.3892 138 D 4.2048 7.5277 125.0471 52.4010 44.4911 175.4065 139 S 4.0095 8.9178 122.4358 61.3600 62.4527 175.1203 140 E 4.4504 8.2336 117.5096 56.1194 29.5209 176.5174 141 G 3.8168 7.6061 110.1878 44.0272 0.0000 173.4556 142 P 4.3287 0.0000 0.0000 64.9881 31.3628 178.0023 143 H 4.2351 7.7869 113.2657 56.6199 28.6379 176.6868 144 G 3.9406 7.7739 106.9478 45.4308 0.0000 174.3515 145 L 4.4525 7.7456 120.7166 53.1324 40.2354 176.0995 146 R 4.7125 7.6946 118.8694 55.1783 31.1688 176.4271 147 Y 4.4782 8.7393 123.7301 58.4490 39.4315 176.3982 148 N 4.7583 8.3658 124.6408 51.1257 38.9035 172.6934 149 P 4.0803 0.0000 0.0000 63.6307 32.3108 177.6960 150 R 4.0771 7.7683 123.0070 56.5859 30.0814 176.0889 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 8.30 4.44 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 2 A 8.36 4.18 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.74 5.23 0.00 1.56 1.57 0.93 0.74 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 4 V 8.94 4.91 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 1.18 0.00 0.00 1.09 0.00 0.00 5 F 9.43 5.22 0.00 2.97 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 6 V 8.67 4.36 1.84 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 0.61 0.00 0.00 1.00 0.00 0.00 7 Y 7.74 4.66 0.00 3.00 2.90 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 8 G 6.57 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 T 7.99 4.08 3.82 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 0.43 0.00 0.00 10 L 7.38 4.07 0.00 1.48 1.47 0.65 0.56 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 11 K 7.54 4.41 0.00 1.82 1.76 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 12 R 8.68 3.59 0.00 1.87 1.77 0.00 3.09 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 13 G 8.82 3.91 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 0.00 0.00 0.00 14 Q 7.77 4.55 0.00 2.31 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.71 0.00 15 P 0.00 4.35 0.00 2.14 2.29 0.00 3.62 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 2.17 2.21 0.00 16 N 8.22 4.89 0.00 2.83 2.76 0.00 0.00 6.47 8.00 0.00 0.00 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 H 8.41 4.17 0.00 3.43 3.30 0.00 5.85 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 18 R 8.10 3.86 0.00 2.11 2.17 0.00 3.13 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.31 0.00 19 V 7.41 3.59 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 0.73 0.00 0.00 0.36 0.00 0.00 20 L 7.49 3.94 0.00 1.33 1.40 0.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.27 4.19 0.00 1.81 1.88 0.00 3.36 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 22 D 7.56 4.51 0.00 2.48 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 0.00 0.00 0.00 23 G 8.44 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 4.02 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 25 H 7.99 4.44 0.00 2.80 2.49 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.34 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.01 5.02 0.00 3.86 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 28 A 8.51 5.23 1.14 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 29 A 9.16 4.85 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 30 F 9.24 3.64 0.00 2.90 2.90 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 31 R 7.75 4.36 0.00 1.52 1.73 0.00 3.35 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 32 A 6.01 4.26 1.04 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 0.00 0.00 33 R 8.56 4.47 0.00 2.14 1.89 0.00 3.47 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 34 G 9.29 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.78 5.39 0.00 1.94 1.75 0.00 3.15 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 36 T 8.71 3.94 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 0.99 0.00 0.00 37 L 8.51 4.21 0.00 1.66 1.75 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.07 4.87 0.00 1.88 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 0.00 2.21 2.19 0.00 39 P 0.00 4.80 0.00 2.27 2.18 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 40 Y 8.74 5.09 0.00 2.73 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 41 P 0.00 4.45 0.00 2.00 1.73 0.00 3.78 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 2.08 1.99 0.00 42 L 8.63 5.07 0.00 1.69 1.76 0.86 1.05 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 43 V 8.68 4.87 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 0.87 0.00 0.00 1.00 0.00 0.00 44 I 8.36 4.81 1.85 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.41 0.93 0.00 0.00 45 A 8.84 4.22 -0.45 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 46 G 8.63 4.23 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 0.00 47 E 8.56 4.04 0.00 1.83 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 2.31 2.35 0.00 48 H 8.12 4.79 0.00 3.25 3.29 0.00 6.05 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 49 N 7.93 4.36 0.00 3.08 3.07 0.00 0.00 6.97 7.60 0.00 0.00 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 I 7.26 4.08 1.49 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.64 -0.55 0.00 0.00 51 P 0.00 4.71 0.00 1.67 0.82 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.61 0.00 52 W 9.23 4.98 0.00 3.20 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 53 L 8.97 4.40 0.00 0.67 1.61 0.54 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.56 4.38 0.00 1.45 1.09 0.58 0.46 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 55 H 9.12 4.77 0.00 3.37 3.46 0.00 5.89 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.20 4.87 0.00 1.70 1.54 1.13 1.10 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 57 P 0.00 3.48 0.00 1.83 1.16 0.00 3.54 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 58 G 9.26 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 59 S 7.62 4.71 0.00 3.90 3.91 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 60 G 9.29 4.20 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 0.00 61 R 8.93 4.83 0.00 1.80 1.82 0.00 3.29 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 62 L 8.61 4.49 0.00 1.58 1.65 0.94 0.94 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 63 V 8.66 4.63 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 1.24 0.00 0.00 1.05 0.00 0.00 64 E 9.50 4.70 0.00 1.96 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 2.63 2.49 0.00 65 G 8.63 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 66 E 8.23 5.22 0.00 2.10 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 2.45 2.32 0.00 67 V 8.53 4.77 1.96 0.00 0.00 0.00 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 1.04 0.00 0.00 68 Y 9.05 5.05 0.00 2.91 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 69 A 9.02 4.91 1.26 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 0.00 0.00 70 V 8.94 5.37 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 1.08 0.00 0.00 1.03 0.00 0.00 71 D 8.03 4.73 0.00 2.81 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 72 E 8.81 4.05 0.00 2.02 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 2.43 2.37 0.00 73 R 8.09 3.95 0.00 2.17 2.12 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 74 M 8.22 4.62 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 75 L 8.10 4.02 0.00 1.97 1.78 0.84 0.57 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 76 R 8.17 3.93 0.00 2.09 1.99 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 77 F 8.39 4.07 0.00 3.15 3.20 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 78 L 8.46 3.86 0.00 1.77 1.57 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.27 4.45 0.00 2.84 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 80 D 7.68 4.27 0.00 2.60 2.57 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 81 F 7.84 3.75 0.00 2.08 2.79 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 82 E 7.91 4.10 0.00 1.57 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 1.78 1.47 0.00 83 S 7.88 3.88 0.00 4.12 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 84 C 8.34 5.43 0.00 3.12 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.87 0.00 2.21 2.20 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 86 A 8.05 4.08 1.32 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 0.00 0.00 87 L 8.00 4.39 0.00 1.69 2.10 1.02 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.85 5.21 0.00 3.25 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 89 Q 9.47 5.00 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 90 R 8.79 4.59 0.00 1.68 1.75 0.00 2.27 0.00 0.00 2.69 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.27 0.00 91 T 8.95 4.91 4.36 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 1.26 0.00 0.00 92 V 8.28 5.13 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 0.65 0.00 0.00 0.95 0.00 0.00 93 L 8.55 4.56 0.00 1.76 1.82 0.65 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.43 4.85 0.00 1.87 1.77 0.00 3.08 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 95 V 8.45 4.48 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 0.90 0.00 0.00 0.33 0.00 0.00 96 Q 8.96 4.64 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 97 L 8.79 4.69 0.00 1.53 1.57 0.89 0.80 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 98 L 8.82 4.67 0.00 1.55 1.63 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.76 4.49 0.00 1.96 1.12 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 2.13 1.83 0.00 *106 E 9.08 4.36 0.00 2.20 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 2.19 1.91 0.00 107 E 7.81 4.49 0.00 1.92 1.83 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 2.20 2.27 0.00 108 P 0.00 4.42 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 109 P 0.00 4.53 0.00 2.19 2.09 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 110 A 8.20 4.14 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 0.00 111 P 0.00 4.36 0.00 2.03 2.00 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 112 T 8.48 4.72 4.23 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 1.27 0.00 0.00 113 A 7.94 5.40 1.16 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 0.00 114 V 8.59 4.42 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 0.68 0.00 0.00 0.87 0.00 0.00 115 Q 8.64 4.50 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.83 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 116 C 8.92 4.97 0.00 2.84 2.87 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 0.00 0.00 0.00 117 F 8.75 5.18 0.00 3.06 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 0.00 118 V 8.76 4.76 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 0.85 0.00 0.00 1.29 0.00 0.00 119 Y 8.76 5.10 0.00 2.79 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 0.00 120 S 9.24 5.33 0.00 4.23 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 0.00 121 R 9.13 5.13 0.00 1.99 1.94 0.00 2.80 0.00 0.00 2.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 122 A 9.30 4.35 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 0.00 123 T 7.75 4.22 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 1.02 0.00 0.00 124 F 7.20 4.32 0.00 2.46 2.64 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 0.00 125 P 0.00 3.90 0.00 1.14 1.78 0.00 2.20 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.54 0.00 126 P 0.00 4.33 0.00 2.13 2.06 0.00 3.48 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 2.00 1.94 0.00 127 E 8.25 4.19 0.00 2.26 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 0.00 2.60 2.47 0.00 128 W 8.70 4.45 0.00 3.53 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 0.00 129 A 8.33 4.25 1.51 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 0.00 130 Q 7.87 4.44 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 131 L 7.16 4.26 0.00 1.82 1.63 0.70 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.23 0.00 2.03 1.96 0.00 3.68 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 2.04 2.12 0.00 133 H 8.54 5.03 0.00 3.13 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.88 4.98 0.00 3.22 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.69 4.69 0.00 2.98 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 0.00 136 S 7.80 4.77 0.00 3.85 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 0.00 137 Y 8.66 4.23 0.00 3.00 3.12 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 0.00 0.00 0.00 138 D 7.53 4.20 0.00 2.49 2.25 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 0.00 139 S 8.92 4.01 0.00 3.96 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 0.00 140 E 8.23 4.45 0.00 2.05 1.89 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 2.27 2.37 0.00 141 G 7.61 3.82 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 0.00 0.00 0.00 142 P 0.00 4.33 0.00 2.04 2.11 0.00 3.66 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 2.01 2.04 0.00 143 H 7.79 4.24 0.00 3.29 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.77 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 0.00 0.00 0.00 145 L 7.75 4.45 0.00 1.72 1.85 0.94 0.97 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 0.00 146 R 7.69 4.71 0.00 1.84 1.92 0.00 3.28 0.00 0.00 3.82 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 147 Y 8.74 4.48 0.00 2.93 2.95 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 0.00 148 N 8.37 4.76 0.00 2.72 2.67 0.00 0.00 6.68 7.31 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 0.00 149 P 0.00 4.08 0.00 2.06 1.79 0.00 3.55 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 150 R 7.77 4.08 0.00 1.78 1.86 0.00 3.21 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.