NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3275 8.2649 123.5825 51.5816 20.0011 176.0537 2 E 4.0666 8.4278 118.2102 56.8739 30.4679 176.9913 3 C 5.3579 8.1007 119.2292 56.0894 41.7727 173.0644 4 S 4.5219 7.7743 111.7272 56.2093 66.5516 174.4957 5 V 4.3648 7.9570 120.0245 60.1204 34.7285 173.7326 6 D 5.1397 8.5882 123.5455 52.9489 42.4636 175.7950 7 I 4.5319 8.7946 124.3151 59.4431 40.8919 174.1747 8 Q 5.0969 8.8615 127.6649 54.5525 31.3809 174.4319 9 G 4.2164 9.0764 112.6519 45.5497 0.0000 171.6331 *15 F 5.8420 8.9380 123.4799 57.3054 40.2179 174.9161 16 N 4.5481 9.3096 123.4152 55.4158 37.3964 175.3339 17 T 4.6864 7.8653 114.2873 61.7035 70.5009 173.6985 18 N 5.0845 8.5905 121.1046 52.6800 39.0726 174.0355 19 A 4.8705 7.8405 118.1848 51.8011 22.1538 175.7318 20 I 4.7263 9.5631 124.7559 59.7791 40.2198 174.9567 21 T 5.0843 8.4728 115.5069 59.9150 71.3110 173.1626 22 V 3.8805 8.3935 125.6513 60.9598 33.6396 174.5738 23 D 4.6788 8.5594 127.3870 53.6897 41.6889 176.8310 24 K 3.8851 8.2678 128.6610 59.2179 32.2595 177.5523 25 S 4.4002 7.7335 110.5628 59.3433 63.5300 173.6989 26 C 4.6003 7.9602 119.8446 56.6939 39.6967 173.7812 27 K 4.2612 8.6612 123.0911 58.3597 33.0506 176.4718 28 Q 5.1003 7.8549 115.1915 54.4073 32.3188 174.7054 29 F 4.7705 8.1264 119.8697 57.0749 43.3232 172.8022 30 T 4.7754 7.2488 121.6410 61.4965 71.6962 173.0746 31 V 4.0413 8.0150 126.2778 60.9671 33.5305 174.3994 32 N 4.8412 8.3514 127.2992 52.5727 39.4276 174.1186 33 L 5.1639 9.5678 127.6060 53.4926 44.7467 175.3393 34 S 5.0035 8.9122 120.3454 57.0343 67.2248 172.1994 35 H 5.2649 8.2237 122.8238 53.7024 30.3382 173.1837 36 P 4.5064 0.0000 0.0000 64.8820 32.5666 176.9590 37 G 4.1399 7.5034 112.8962 45.7335 0.0000 173.7040 38 N 4.9801 8.7515 122.7308 52.8352 40.6871 173.8251 39 L 4.7609 7.6000 116.4623 52.1330 44.1371 174.0911 40 P 4.4947 0.0000 0.0000 62.5185 31.9096 177.9019 41 K 3.8589 8.5486 123.9404 59.3532 32.4979 177.2753 42 N 4.7524 8.1011 115.6698 54.8607 39.2611 175.4796 43 V 4.5073 7.9887 109.5725 61.9890 34.2352 176.0422 44 M 4.2399 7.4926 118.3260 53.8562 32.3460 173.6905 45 G 4.1515 5.9910 106.4551 44.8907 0.0000 172.8176 46 H 5.5898 9.5577 117.8500 52.6674 33.1220 172.3329 47 N 5.5124 9.1319 117.2648 50.9310 41.2756 172.8640 48 W 5.0764 9.4733 128.2195 55.9429 33.3981 174.0616 49 V 4.5282 8.7838 128.6481 60.7102 34.0901 174.1176 50 L 4.7908 8.1766 128.2724 53.1728 44.1857 175.3006 51 S 5.1960 8.7944 120.1443 56.4393 67.4093 173.5414 52 T 4.2149 8.5513 109.2902 61.1240 69.2833 175.1018 53 A 3.8850 8.9508 126.0240 55.6463 18.0329 179.8936 54 A 3.8950 7.9552 117.3675 55.4919 18.6666 178.7408 55 D 4.5777 8.2821 115.7118 55.4757 41.4152 178.1366 56 M 3.4259 7.4510 120.1556 58.4969 32.0648 177.8304 57 Q 3.8658 7.9217 118.7218 59.0081 29.0825 178.7700 58 G 3.5791 7.9201 106.2006 47.8079 0.0000 175.5999 59 V 3.8226 7.6755 121.1367 65.5506 31.5003 178.2171 60 V 3.6434 7.8239 117.9153 66.4956 31.4050 178.2410 61 T 3.9003 7.9071 115.3967 66.7514 68.4251 176.6551 62 D 4.5650 8.0553 120.9640 56.8869 40.9447 179.0660 63 G 3.9767 8.2643 108.0828 47.1820 0.0000 175.5889 64 M 4.0914 8.3268 119.9643 58.5912 32.4041 177.8225 65 A 4.1220 7.7784 119.5416 54.3402 18.6458 178.2765 66 S 4.3031 7.5539 112.6740 57.9153 63.9939 174.7115 67 G 3.7124 8.0770 111.7999 44.2798 0.0000 173.9646 68 L 2.8559 8.0155 119.9491 57.8574 41.7634 178.4899 69 D 4.4561 7.7876 114.9112 54.6993 39.3060 176.5339 70 K 4.3777 7.4963 118.7927 55.7262 32.6140 175.8974 71 D 4.3388 8.7373 117.1750 55.4258 38.9167 173.1730 72 Y 4.2539 7.5461 112.9965 58.4701 35.8574 169.6722 73 L 4.9735 7.5708 117.6350 52.3248 45.2171 176.8541 74 K 3.9787 8.6566 123.7834 55.2086 32.6268 174.1177 75 P 4.3115 0.0000 0.0000 64.0937 31.6960 175.6525 76 D 4.3432 8.8411 120.6634 55.1921 38.3065 173.3956 77 D 4.3911 7.6524 118.5878 54.5725 40.4588 176.4792 78 S 4.5734 8.6195 121.0768 58.7847 63.5353 174.7594 79 R 4.3346 7.9205 116.4492 55.9973 29.6134 176.1634 80 V 4.1733 7.3050 119.7552 61.9145 31.3589 175.5150 81 I 3.9955 8.7185 130.0702 64.2979 37.5795 176.4089 82 A 4.7481 7.4757 120.5980 51.7294 22.3147 174.7935 83 H 5.4870 8.5191 112.9220 55.1932 30.9102 173.5543 84 T 4.5777 8.8961 110.5480 60.6116 70.1249 174.6172 85 K 4.2279 8.6563 122.7573 56.7869 33.1229 176.3438 86 L 4.6479 9.6495 125.2655 55.2709 42.7502 176.2029 87 I 4.8803 9.2536 118.9811 59.4698 41.6869 174.9982 88 G 3.9098 8.3831 111.9334 43.5035 0.0000 170.9611 89 S 3.9929 7.7936 115.2532 60.2204 62.1014 175.9669 90 G 3.9765 8.9790 115.7754 45.3822 0.0000 172.3308 91 E 4.5843 7.9671 120.3179 55.3410 30.9838 175.6963 92 K 5.0670 8.5287 121.6171 55.4003 35.7020 174.4243 93 D 4.9760 9.1251 120.3340 53.1939 45.5513 174.0650 94 S 5.5852 8.6721 115.9624 56.8009 65.9819 173.4258 95 V 4.4803 8.3400 123.5678 60.0260 34.0608 174.4450 96 T 5.0716 8.5704 120.3913 61.6512 71.0766 173.1951 97 F 5.2046 8.3352 121.0121 54.6162 41.7947 174.5069 98 D 4.7527 8.7516 119.9446 54.3668 41.3444 177.9023 99 V 3.9527 8.8971 124.3561 64.8121 31.8309 177.9836 100 S 4.3150 8.0282 113.1530 61.0839 63.1184 175.5343 101 K 4.1355 7.8402 119.9700 58.0880 31.9639 176.7044 102 L 4.4821 7.6088 119.4167 52.8535 43.1740 175.8814 103 K 4.5715 10.3658 123.2291 54.0895 33.6188 175.5937 104 E 4.1151 8.8228 125.3431 57.9565 29.8667 176.8540 105 G 3.8996 9.0764 113.3496 45.4889 0.0000 172.2232 106 E 4.3519 7.7172 119.5604 54.0150 31.4525 174.7456 107 Q 4.3190 8.0357 126.0207 55.0455 30.5610 173.7664 108 Y 5.2453 8.1376 123.5558 56.6346 41.4527 174.6493 109 M 5.1831 9.6251 121.4244 53.5651 35.9111 174.7026 110 F 5.4895 8.4133 117.1869 54.7096 40.9773 174.3445 111 F 5.4294 7.5200 113.6364 56.6127 41.3280 171.5883 112 D 5.6781 8.9561 119.5215 52.6725 42.9340 176.4062 113 T 4.6259 9.5989 115.9580 61.3271 69.3141 174.2202 114 F 3.4755 9.0249 126.1836 57.0823 39.7719 172.4679 115 P 3.9815 0.0000 0.0000 65.3026 31.2596 174.6992 116 G 4.1797 8.9947 111.5100 46.2791 0.0000 174.7628 117 H 4.2871 8.5828 116.3790 58.1449 28.8666 177.5260 118 S 4.1134 8.0858 113.0565 60.8389 62.4040 174.9661 119 A 4.1401 7.7147 122.4387 53.8171 18.3290 177.7224 120 L 4.5596 7.8363 115.2999 55.6024 44.2647 176.2693 121 E 4.4024 8.5783 120.3807 54.0822 28.3182 174.8260 122 K 4.9030 8.2385 120.2068 55.9038 36.2259 175.6668 123 G 3.2106 8.2532 108.5764 45.8439 0.0000 171.2109 124 T 5.1735 8.0985 113.9762 60.0576 70.3689 172.9086 125 L 6.1636 8.9686 129.2780 52.6166 45.7845 175.1610 126 T 5.0042 8.3179 114.2785 59.8164 72.5158 172.4615 127 L 4.3902 8.8458 127.3187 55.0634 42.8768 176.5958 128 K 4.2481 8.8027 125.3729 56.9566 33.5973 175.8837 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 A 8.26 4.33 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 2 E 8.43 4.07 0.00 2.06 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 2.30 2.31 0.00 3 C 8.10 5.36 0.00 2.83 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 4 S 7.77 4.52 0.00 3.45 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 4.36 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 0.52 0.00 0.00 0.87 0.00 0.00 6 D 8.59 5.14 0.00 2.48 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 7 I 8.79 4.53 1.64 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.68 0.76 0.00 0.00 8 Q 8.86 5.10 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 9 G 9.08 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 0.00 0.00 0.00 0.00 *15 F 8.94 5.84 0.00 3.22 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.31 4.55 0.00 2.86 3.02 0.00 0.00 6.14 7.71 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 17 T 7.87 4.69 4.32 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 1.36 0.00 0.00 18 N 8.59 5.08 0.00 2.82 3.13 0.00 0.00 5.95 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 19 A 7.84 4.87 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 20 I 9.56 4.73 2.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.95 0.00 0.00 21 T 8.47 5.08 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 22 V 8.39 3.88 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 0.54 0.00 0.00 0.28 0.00 0.00 23 D 8.56 4.68 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 24 K 8.27 3.89 0.00 1.80 1.91 0.00 1.76 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 25 S 7.73 4.40 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 26 C 7.96 4.60 0.00 3.19 3.27 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 27 K 8.66 4.26 0.00 1.67 1.84 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.38 7.81 28 Q 7.85 5.10 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.65 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 29 F 8.13 4.77 0.00 2.72 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 0.00 0.00 0.00 30 T 7.25 4.78 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 1.08 0.00 0.00 31 V 8.01 4.04 1.11 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 -0.00 0.00 0.00 -0.14 0.00 0.00 32 N 8.35 4.84 0.00 2.73 2.63 0.00 0.00 6.14 6.72 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 33 L 9.57 5.16 0.00 1.52 1.65 1.20 0.90 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 34 S 8.91 5.00 0.00 3.83 3.75 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 35 H 8.22 5.26 0.00 3.37 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.51 0.00 2.04 2.07 0.00 3.43 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 1.95 2.05 0.00 37 G 7.50 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 38 N 8.75 4.98 0.00 2.64 2.74 0.00 0.00 6.70 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.60 4.76 0.00 1.73 1.52 0.92 1.08 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 40 P 0.00 4.49 0.00 2.19 1.98 0.00 3.63 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 2.12 2.07 0.00 41 K 8.55 3.86 0.00 1.74 1.82 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.58 7.81 42 N 8.10 4.75 0.00 2.80 2.88 0.00 0.00 6.81 7.71 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 43 V 7.99 4.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 44 M 7.49 4.24 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 45 G 5.99 4.15 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 0.00 46 H 9.56 5.59 0.00 3.09 3.29 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.13 5.51 0.00 2.97 3.07 0.00 0.00 5.78 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 W 9.47 5.08 0.00 3.47 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 49 V 8.78 4.53 0.72 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 0.59 0.00 0.00 0.89 0.00 0.00 50 L 8.18 4.79 0.00 0.83 1.26 0.86 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.79 5.20 0.00 4.13 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.55 4.21 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 1.33 0.00 0.00 53 A 8.95 3.88 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 54 A 7.96 3.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.28 4.58 0.00 2.73 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 56 M 7.45 3.43 0.00 1.79 1.73 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.90 0.00 57 Q 7.92 3.87 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 58 G 7.92 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.82 2.48 0.00 0.00 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 1.05 0.00 0.00 60 V 7.82 3.64 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 1.03 0.00 0.00 0.80 0.00 0.00 61 T 7.91 3.90 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 62 D 8.06 4.57 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.26 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.33 4.09 0.00 2.10 2.16 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 2.47 2.52 0.00 65 A 7.78 4.12 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 66 S 7.55 4.30 0.00 3.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.08 3.71 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 0.00 0.00 0.00 68 L 8.02 2.86 0.00 1.60 1.54 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.79 4.46 0.00 2.78 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 70 K 7.50 4.38 0.00 1.68 1.90 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.31 7.81 71 D 8.74 4.34 0.00 2.82 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 72 Y 7.55 4.25 0.00 3.29 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 73 L 7.57 4.97 0.00 1.59 1.51 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.66 3.98 0.00 1.80 1.72 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.45 7.81 75 P 0.00 4.31 0.00 2.08 1.98 0.00 3.87 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 76 D 8.84 4.34 0.00 2.83 2.77 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 77 D 7.65 4.39 0.00 2.98 2.60 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 0.00 0.00 0.00 0.00 78 S 8.62 4.57 0.00 4.03 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 79 R 7.92 4.33 0.00 2.16 2.08 0.00 3.29 0.00 0.00 3.41 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 80 V 7.31 4.17 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 0.77 0.00 0.00 0.95 0.00 0.00 81 I 8.72 4.00 1.70 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.59 0.00 0.00 82 A 7.48 4.75 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.52 5.49 0.00 3.27 3.24 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.90 4.58 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 85 K 8.66 4.23 0.00 1.74 1.89 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.57 7.81 86 L 9.65 4.65 0.00 1.77 1.85 1.26 1.20 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 87 I 9.25 4.88 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.96 0.00 0.00 88 G 8.38 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 89 S 7.79 3.99 0.00 3.90 3.87 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 90 G 8.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.97 4.58 0.00 2.18 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 2.29 2.23 0.00 92 K 8.53 5.07 0.00 1.85 1.74 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.37 7.81 93 D 9.13 4.98 0.00 2.78 2.51 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 94 S 8.67 5.59 0.00 4.00 3.69 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 95 V 8.34 4.48 2.29 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 0.80 0.00 0.00 1.16 0.00 0.00 96 T 8.57 5.07 4.18 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 1.10 0.00 0.00 97 F 8.34 5.20 0.00 3.14 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 98 D 8.75 4.75 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.90 3.95 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 100 S 8.03 4.31 0.00 4.05 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 K 7.84 4.14 0.00 1.72 1.91 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.72 7.81 102 L 7.61 4.48 0.00 1.88 1.60 0.41 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 103 K 10.37 4.57 0.00 1.97 1.78 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 104 E 8.82 4.12 0.00 1.96 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 2.33 2.46 0.00 105 G 9.08 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 0.00 106 E 7.72 4.35 0.00 1.85 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 107 Q 8.04 4.32 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 108 Y 8.14 5.25 0.00 3.37 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 0.00 109 M 9.63 5.18 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 110 F 8.41 5.49 0.00 1.94 2.59 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 0.00 111 F 7.52 5.43 0.00 3.14 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 0.00 112 D 8.96 5.68 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 9.60 4.63 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 114 F 9.02 3.48 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 3.98 0.00 1.60 1.73 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 1.20 1.32 0.00 116 G 8.99 4.18 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 0.00 0.00 0.00 117 H 8.58 4.29 0.00 3.38 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.09 4.11 0.00 4.01 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.71 4.14 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 0.00 120 L 7.84 4.56 0.00 1.52 1.57 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.58 4.40 0.00 1.87 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 1.68 1.95 0.00 122 K 8.24 4.90 0.00 1.66 1.94 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.44 7.81 123 G 8.25 3.21 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 0.00 124 T 8.10 5.17 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 125 L 8.97 6.16 0.00 2.07 1.70 1.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.32 5.00 4.32 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 1.29 0.00 0.00 127 L 8.85 4.39 0.00 1.75 1.74 0.96 0.66 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 0.00 128 K 8.80 4.25 0.00 1.75 1.62 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.