NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.1888 8.3393 108.0153 45.8467 0.0000 175.0693 1 Y 4.8789 5.5903 119.8962 55.4624 42.7316 174.2464 2 F 5.3572 9.8300 118.4429 55.6777 43.4306 176.0955 3 G 4.4626 9.1577 108.4159 44.1348 0.0000 171.8338 4 K 3.2166 9.0628 127.2474 55.8772 32.4442 176.3843 5 L 4.8740 8.2116 128.3996 54.4089 45.1634 176.1436 6 E 4.3074 8.7891 123.4413 57.5192 31.0858 175.9984 7 S 5.2906 8.4938 116.2357 56.7941 66.3965 173.8176 8 K 4.6940 9.0128 121.9107 54.5138 35.5700 175.4586 9 L 4.7762 8.5123 124.6323 54.7420 43.2054 176.0988 10 S 5.2076 9.4366 119.2926 57.0564 67.9683 172.9628 11 V 4.7392 8.8122 123.9419 61.4159 33.6666 174.3137 12 I 5.1250 8.4941 127.8044 59.6794 39.8412 174.6070 13 R 5.5109 9.3677 126.1159 54.5171 34.1261 175.9188 14 N 4.6842 8.7992 120.3444 51.3517 39.2902 175.6537 15 L 3.8876 7.9823 117.2796 58.7980 40.3796 177.4312 16 N 4.4947 8.0256 114.5005 52.8196 38.4943 174.5231 17 D 4.5030 8.0318 116.2604 55.0140 40.5004 173.2955 18 Q 4.5836 8.1746 116.3311 54.7836 30.6461 174.8244 19 V 4.8835 8.9027 123.2032 61.3193 33.6825 174.9854 20 L 4.1532 9.1511 131.0967 55.2343 43.2006 175.5658 21 F 5.5167 9.2037 119.8715 55.8237 42.0323 172.6031 22 I 4.7535 8.2428 120.9821 59.5370 39.0113 175.4336 23 D 4.9152 8.4091 129.7170 51.9870 40.9707 177.1126 24 Q 4.0441 8.7950 117.5209 58.4068 28.6970 177.9798 25 G 4.0244 8.8277 106.8330 44.6752 0.0000 173.4148 26 N 4.3406 7.9509 114.5793 53.9810 36.9836 174.3023 27 R 4.5816 7.4584 113.3540 53.7505 32.3597 174.0530 28 P 4.9967 0.0000 0.0000 62.5855 32.4409 175.0677 29 L 5.2621 8.1631 123.8987 52.6426 46.0401 175.3988 30 F 5.7960 9.3273 119.3959 55.9863 41.4976 175.0867 31 E 4.8550 9.4410 119.6905 53.8246 33.4944 176.1679 32 D 4.5361 8.3211 119.9519 53.9957 40.2929 176.7940 *42 A 4.1024 7.8401 121.3254 51.3033 20.0082 176.7790 43 P 4.2541 0.0000 0.0000 65.4640 31.9805 178.3027 44 R 4.0113 7.9550 116.6568 57.4121 30.2574 177.2313 45 T 4.6764 7.5604 106.6727 60.6334 69.4453 174.3656 46 I 4.2572 7.0097 124.0592 60.3743 37.8044 175.0851 47 F 4.7396 9.4076 127.0433 55.9908 41.5761 175.4304 48 I 4.7746 9.0929 124.1023 60.1430 38.8386 174.8476 49 I 4.7972 8.8009 129.8048 60.0417 38.9132 175.0278 50 S 5.1930 8.9094 124.2251 57.1375 65.0990 173.5506 51 M 5.0428 8.9165 124.9556 54.7722 33.6187 174.8544 52 Y 5.1785 9.0601 120.6627 55.9191 41.1606 175.8814 53 K 4.4665 8.9571 123.0495 56.7872 34.6199 175.2439 54 D 5.0768 8.3678 120.3902 52.5155 43.5466 175.6297 55 S 4.1106 8.6228 120.1051 59.7221 63.7105 174.5240 56 Q 4.4321 8.1845 122.5150 52.8541 28.2189 171.2655 57 P 4.3655 0.0000 0.0000 62.6081 31.9858 176.5518 58 R 4.4053 9.3217 120.3159 54.3423 32.4680 175.2919 59 G 3.8428 7.5279 104.5402 45.2595 0.0000 171.0567 60 M 4.3807 8.0488 118.8561 55.5796 33.0447 174.7917 61 A 4.8595 8.8432 129.0361 51.2051 20.8234 176.1917 62 V 5.2825 9.1059 115.2231 59.9132 36.6902 174.7165 63 T 5.1730 8.8094 112.4004 59.3783 72.1687 173.1884 64 I 5.2029 8.2583 122.9466 59.7353 40.4515 174.7206 65 S 5.4959 9.2575 121.0867 56.9991 67.3798 173.1232 66 V 4.3685 8.6928 118.5193 60.2816 34.7564 173.2627 67 K 4.6774 8.4855 126.0303 54.6068 32.6703 176.2138 68 S 4.4708 7.9867 123.5819 56.3024 62.4779 174.1308 69 E 3.9973 9.6886 122.2982 57.3294 28.4839 174.3349 70 K 4.3140 7.1433 115.7546 55.6948 36.3230 173.4256 71 I 4.6985 7.9676 120.6438 60.5836 38.6198 175.3879 72 S 5.2360 8.9724 123.2614 56.9682 66.2310 173.1331 73 T 5.1344 8.9972 120.4551 61.3720 71.1198 173.5033 74 L 4.2215 9.3084 129.2843 55.2690 43.4206 175.6217 75 S 4.9917 9.2381 120.4874 56.2318 66.3211 174.0747 76 S 4.8024 8.8303 119.2552 57.0343 63.3362 173.4305 77 E 4.2816 7.9230 122.1237 58.5134 29.6441 176.7500 78 N 4.3349 9.5363 121.1810 54.0133 35.9987 174.9206 79 K 3.3432 7.8507 114.4648 56.6928 30.5265 175.4635 80 I 4.4161 7.1134 120.1689 59.4437 38.9257 174.7047 81 I 4.4598 8.1687 125.6875 61.0830 37.9298 175.2365 82 S 4.5167 8.7233 120.3979 57.4593 67.0603 172.5511 83 F 5.3092 8.6274 118.4424 56.1301 40.5173 175.7528 84 K 4.5918 9.2116 122.3675 54.6457 34.8913 175.6272 85 E 4.8267 8.8669 125.7246 56.0234 28.8117 175.0454 86 M 4.5040 8.2034 120.0589 54.4146 34.5442 174.4264 87 N 4.5804 8.8406 118.5992 51.8659 39.6227 173.3513 88 P 4.2551 0.0000 0.0000 62.4495 31.7245 174.5981 89 P 4.6374 0.0000 0.0000 62.3345 32.4201 176.1417 90 D 4.6212 8.7503 119.0977 56.9864 41.8738 176.1901 91 N 5.7604 8.2266 113.6708 51.4728 42.8480 174.2182 92 I 4.5716 8.9948 123.5210 59.6881 39.3023 176.7773 93 K 4.4302 9.0099 126.7885 58.0627 32.5559 177.4408 94 D 4.7175 7.8742 118.4087 53.9425 41.6908 176.6398 95 T 4.0387 8.5609 118.8493 65.6894 68.8278 175.2681 96 K 4.7839 7.8259 118.6039 54.5148 34.8578 175.3440 97 S 4.5221 8.4989 115.7582 56.3707 65.6607 174.8980 98 D 4.2183 8.6038 126.3256 56.3669 40.6119 177.5996 99 I 4.4713 7.1253 110.7314 59.6652 38.7672 174.6824 100 I 4.2266 6.6587 123.7513 59.9670 38.7039 174.7339 101 F 4.9439 9.0157 125.2769 55.5011 42.8538 174.2534 102 F 5.2156 9.2604 121.6249 56.6468 40.2219 174.5836 103 Q 4.6789 9.0791 126.5369 55.0855 29.9199 175.0535 104 R 4.8367 8.8020 124.6492 53.9693 34.7188 174.9825 105 S 4.5696 8.6907 117.4474 59.0051 63.8317 174.2662 106 V 3.8170 8.5760 124.6402 61.6537 32.4957 173.6850 107 P 4.3291 0.0000 0.0000 64.4700 31.4338 176.8437 108 G 3.9603 9.2203 110.9276 46.1182 0.0000 173.3200 109 H 4.7848 7.9396 116.1492 54.1594 29.2306 173.5526 110 D 4.3544 8.0752 119.7007 56.0490 41.8413 176.1705 111 N 4.7681 8.0995 114.4800 52.9067 38.0474 174.4240 112 K 4.9094 8.2211 119.0251 55.2900 35.5843 174.9578 113 M 5.3990 9.3722 121.9081 53.6927 35.5201 174.9578 114 Q 5.2793 8.8294 118.3296 54.6214 33.0765 174.2640 115 F 5.3021 9.1816 118.4024 55.9557 42.4253 173.4081 116 E 4.3512 9.3766 126.4395 54.5190 30.8670 175.4157 117 S 4.1822 8.9667 122.8435 58.5395 62.8427 175.1275 118 S 4.0797 8.1185 122.3114 61.2067 62.8213 175.9664 119 S 3.9166 7.4998 116.7380 60.5100 62.8997 173.6338 120 Y 4.4792 7.2155 117.5019 54.9772 38.5633 173.4043 121 E 4.2847 8.6161 124.2917 57.7959 30.3973 177.4281 122 G 4.1186 10.1320 113.8787 45.7891 0.0000 171.8642 123 Y 5.1931 8.0786 117.9273 56.4916 40.0610 174.8381 124 F 5.4130 9.1681 121.5572 55.1985 43.4423 174.5668 125 L 4.6903 8.9506 121.7871 55.6234 42.6473 176.2280 126 A 5.1235 9.2960 123.7138 50.5993 23.2273 174.7707 127 S 5.0477 8.7402 115.9416 57.4561 63.5545 173.2297 128 E 4.7102 9.7416 127.7521 54.3169 32.8326 174.1969 129 K 4.2846 8.6244 127.6149 55.0101 33.5517 175.6472 *133 L 4.1433 8.1163 124.4346 54.6346 42.8567 176.0870 134 F 5.0124 8.8787 120.0889 55.9938 41.4068 174.4418 135 K 4.9488 9.4493 124.2368 54.3020 34.7378 175.7513 136 L 4.9739 8.4479 126.7955 55.3078 42.5912 175.8884 137 I 4.7775 9.4595 119.4548 59.0907 41.7966 173.4156 138 L 5.2094 8.4596 123.5565 53.3108 44.0278 175.7431 139 K 4.4277 9.4712 127.6324 54.8744 34.9714 174.5159 140 K 3.7622 8.0880 127.9088 56.4100 32.4813 175.1043 141 E 4.2523 8.9641 129.2829 55.7492 29.7744 175.5129 142 D 4.9001 8.5746 124.6165 54.0225 43.0642 175.7118 143 E 4.6201 7.5590 118.5442 54.1045 32.7129 174.0372 144 L 4.0044 8.3927 127.6151 56.0073 42.7396 176.5344 145 G 3.6696 8.6739 113.2024 46.4910 0.0000 173.0516 146 D 4.3515 7.8173 119.9626 53.5686 41.0052 176.9317 147 R 3.9341 8.4063 127.3163 58.6184 30.5842 179.3612 148 S 3.9924 8.1564 112.9907 60.4712 63.0660 175.4866 149 I 4.6823 6.9901 111.1803 60.3202 37.6833 174.8805 150 M 4.6968 7.1527 121.2267 54.0854 33.4510 175.5715 151 F 5.1152 9.2477 121.1619 56.0524 43.9844 173.8740 152 T 4.6125 9.0941 119.4705 62.6358 69.9918 174.0319 153 V 4.7752 8.6295 127.0031 61.4957 32.8982 174.1707 154 Q 4.6784 9.2135 127.9661 54.3001 30.8554 175.0829 155 N 4.8079 8.7836 121.2529 53.2546 39.4665 174.9995 156 E 4.3304 8.7274 122.6457 56.4629 29.3898 176.0898 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 0 G 8.34 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 0.00 0.00 0.00 0.00 1 Y 5.59 4.88 0.00 3.21 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 2 F 9.83 5.36 0.00 2.91 3.08 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 0.00 0.00 0.00 0.00 3 G 9.16 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 0.00 0.00 0.00 0.00 4 K 9.06 3.22 0.00 1.62 1.50 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.10 0.70 7.81 5 L 8.21 4.87 0.00 1.52 1.38 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.79 4.31 0.00 1.92 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 2.38 2.32 0.00 7 S 8.49 5.29 0.00 3.71 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 8 K 9.01 4.69 0.00 1.68 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.42 7.81 9 L 8.51 4.78 0.00 1.63 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 S 9.44 5.21 0.00 3.88 3.77 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 11 V 8.81 4.74 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 0.98 0.00 0.00 1.09 0.00 0.00 12 I 8.49 5.12 1.64 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.56 0.80 0.00 0.00 13 R 9.37 5.51 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 14 N 8.80 4.68 0.00 2.47 2.21 0.00 0.00 6.70 6.39 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 15 L 7.98 3.89 0.00 1.65 1.64 0.81 0.48 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 16 N 8.03 4.49 0.00 2.80 2.76 0.00 0.00 6.89 8.06 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 17 D 8.03 4.50 0.00 2.79 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 18 Q 8.17 4.58 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.10 0.00 19 V 8.90 4.88 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 1.13 0.00 0.00 1.01 0.00 0.00 20 L 9.15 4.15 0.00 1.33 1.30 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 21 F 9.20 5.52 0.00 3.19 3.08 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 0.00 0.00 0.00 0.00 22 I 8.24 4.75 1.49 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.66 0.65 0.00 0.00 23 D 8.41 4.92 0.00 3.02 2.46 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 0.00 24 Q 8.79 4.04 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.45 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 25 G 8.83 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 26 N 7.95 4.34 0.00 2.91 2.95 0.00 0.00 6.77 7.11 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 27 R 7.46 4.58 0.00 1.96 1.79 0.00 3.12 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 28 P 0.00 5.00 0.00 1.82 1.96 0.00 3.56 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 1.87 1.54 0.00 29 L 8.16 5.26 0.00 0.64 1.56 1.00 0.71 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 30 F 9.33 5.80 0.00 3.01 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 31 E 9.44 4.86 0.00 1.81 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 2.28 2.14 0.00 32 D 8.32 4.54 0.00 2.66 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 *42 A 7.84 4.10 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 43 P 0.00 4.25 0.00 2.15 2.25 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 44 R 7.95 4.01 0.00 1.93 2.17 0.00 3.13 0.00 0.00 3.70 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 45 T 7.56 4.68 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 1.28 0.00 0.00 46 I 7.01 4.26 1.75 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 1.35 0.83 0.88 0.00 0.00 47 F 9.41 4.74 0.00 3.01 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 48 I 9.09 4.77 1.91 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 1.22 0.64 0.94 0.00 0.00 49 I 8.80 4.80 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.78 1.06 0.00 0.00 50 S 8.91 5.19 0.00 3.98 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 51 M 8.92 5.04 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 52 Y 9.06 5.18 0.00 2.75 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 53 K 8.96 4.47 0.00 1.84 1.95 0.00 1.21 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.36 7.81 54 D 8.37 5.08 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.11 0.00 3.88 3.57 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 56 Q 8.18 4.43 0.00 1.95 2.04 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 2.21 2.25 0.00 57 P 0.00 4.37 0.00 2.07 2.00 0.00 3.64 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 2.01 2.24 0.00 58 R 9.32 4.41 0.00 1.49 1.51 0.00 3.21 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 59 G 7.53 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 60 M 8.05 4.38 0.00 2.42 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.68 0.00 61 A 8.84 4.86 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 62 V 9.11 5.28 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 0.92 0.00 0.00 1.19 0.00 0.00 63 T 8.81 5.17 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 0.98 0.00 0.00 64 I 8.26 5.20 1.63 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.45 0.77 0.00 0.00 65 S 9.26 5.50 0.00 3.98 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 66 V 8.69 4.37 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 0.25 0.00 0.00 0.34 0.00 0.00 67 K 8.49 4.68 0.00 1.70 1.68 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.34 7.81 68 S 7.99 4.47 0.00 3.87 3.63 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 69 E 9.69 4.00 0.00 2.12 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 0.00 2.14 2.27 0.00 70 K 7.14 4.31 0.00 1.69 1.63 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.34 7.81 71 I 7.97 4.70 1.86 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 1.32 0.79 0.96 0.00 0.00 72 S 8.97 5.24 0.00 3.30 3.65 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 73 T 9.00 5.13 4.31 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 1.26 0.00 0.00 74 L 9.31 4.22 0.00 1.66 1.41 -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.24 4.99 0.00 3.85 3.61 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 76 S 8.83 4.80 0.00 4.08 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 0.00 77 E 7.92 4.28 0.00 2.11 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 2.32 2.43 0.00 78 N 9.54 4.33 0.00 2.90 2.88 0.00 0.00 7.09 7.61 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 79 K 7.85 3.34 0.00 1.58 1.61 0.00 1.33 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 I 7.11 4.42 1.84 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 1.42 1.48 0.89 0.00 0.00 81 I 8.17 4.46 1.80 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 1.47 0.68 0.68 0.00 0.00 82 S 8.72 4.52 0.00 3.86 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 83 F 8.63 5.31 0.00 2.93 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 84 K 9.21 4.59 0.00 1.68 1.71 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.37 7.81 85 E 8.87 4.83 0.00 1.99 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 2.28 2.29 0.00 86 M 8.20 4.50 0.00 2.04 1.98 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 2.44 2.62 0.00 87 N 8.84 4.58 0.00 2.74 2.82 0.00 0.00 6.96 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 88 P 0.00 4.26 0.00 2.19 2.20 0.00 3.73 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 2.12 2.17 0.00 89 P 0.00 4.64 0.00 2.41 2.10 0.00 3.84 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 2.06 2.01 0.00 90 D 8.75 4.62 0.00 2.68 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 91 N 8.23 5.76 0.00 2.66 2.89 0.00 0.00 6.70 7.45 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 92 I 8.99 4.57 2.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.73 0.94 0.00 0.00 93 K 9.01 4.43 0.00 1.77 1.86 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.50 7.81 94 D 7.87 4.72 0.00 2.83 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 95 T 8.56 4.04 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 96 K 7.83 4.78 0.00 1.64 1.56 0.00 1.63 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.39 7.81 97 S 8.50 4.52 0.00 3.64 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 98 D 8.60 4.22 0.00 2.64 2.62 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 99 I 7.13 4.47 1.80 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 1.12 1.35 0.90 0.00 0.00 100 I 6.66 4.23 1.07 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 -0.31 -0.14 0.00 0.00 101 F 9.02 4.94 0.00 2.94 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 0.00 102 F 9.26 5.22 0.00 3.01 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 0.00 103 Q 9.08 4.68 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.12 1.45 0.00 104 R 8.80 4.84 0.00 1.80 1.78 0.00 3.25 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 105 S 8.69 4.57 0.00 3.76 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 0.00 106 V 8.58 3.82 2.26 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 0.87 0.00 0.00 0.86 0.00 0.00 107 P 0.00 4.33 0.00 2.06 2.00 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 108 G 9.22 3.96 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 0.00 0.00 0.00 109 H 7.94 4.78 0.00 3.19 3.18 0.00 5.82 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.08 4.35 0.00 2.60 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 0.00 111 N 8.10 4.77 0.00 2.89 2.91 0.00 0.00 5.91 7.13 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 0.00 112 K 8.22 4.91 0.00 1.77 1.82 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.51 7.81 113 M 9.37 5.40 0.00 1.50 1.99 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 114 Q 8.83 5.28 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 115 F 9.18 5.30 0.00 2.93 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 0.00 116 E 9.38 4.35 0.00 1.74 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 2.08 1.47 0.00 117 S 8.97 4.18 0.00 4.06 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 0.00 118 S 8.12 4.08 0.00 3.89 3.29 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 0.00 119 S 7.50 3.92 0.00 3.41 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 0.00 120 Y 7.22 4.48 0.00 2.47 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 0.00 0.00 0.00 121 E 8.62 4.28 0.00 1.98 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 2.38 2.56 0.00 122 G 10.13 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 0.00 123 Y 8.08 5.19 0.00 3.16 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 0.00 124 F 9.17 5.41 0.00 3.17 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 0.00 125 L 8.95 4.69 0.00 1.77 1.55 -0.03 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 126 A 9.30 5.12 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 0.00 127 S 8.74 5.05 0.00 3.34 3.46 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 0.00 128 E 9.74 4.71 0.00 2.03 1.77 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 2.19 2.23 0.00 129 K 8.62 4.28 0.00 1.72 1.60 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.10 0.63 7.81 *133 L 8.12 4.14 0.00 1.66 1.62 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.88 5.01 0.00 3.31 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 0.00 135 K 9.45 4.95 0.00 1.73 1.76 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 136 L 8.45 4.97 0.00 1.56 1.46 1.06 0.36 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 0.00 137 I 9.46 4.78 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 1.00 0.00 0.00 138 L 8.46 5.21 0.00 1.71 1.78 1.19 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 139 K 9.47 4.43 0.00 1.91 1.85 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.40 7.81 140 K 8.09 3.76 0.00 0.79 1.41 0.00 1.59 0.00 0.00 0.82 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.19 1.36 7.81 141 E 8.96 4.25 0.00 1.90 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 0.00 2.27 2.14 0.00 142 D 8.57 4.90 0.00 2.63 2.62 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 0.00 143 E 7.56 4.62 0.00 1.83 1.71 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 2.15 2.26 0.00 144 L 8.39 4.00 0.00 1.60 1.52 0.88 1.04 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 0.00 145 G 8.67 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 0.00 146 D 7.82 4.35 0.00 2.79 2.47 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 0.00 147 R 8.41 3.93 0.00 1.81 1.82 0.00 3.12 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 148 S 8.16 3.99 0.00 4.19 4.04 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 0.00 149 I 6.99 4.68 1.93 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.39 1.00 0.00 0.00 150 M 7.15 4.70 0.00 1.78 1.89 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 151 F 9.25 5.12 0.00 3.16 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 0.00 152 T 9.09 4.61 4.33 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 1.27 0.00 0.00 153 V 8.63 4.78 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 0.94 0.00 0.00 1.19 0.00 0.00 154 Q 9.21 4.68 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 155 N 8.78 4.81 0.00 2.64 2.79 0.00 0.00 6.97 7.66 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 0.00 156 E 8.73 4.33 0.00 2.01 1.86 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 2.32 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.