NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5205 8.3049 120.3262 55.0473 33.4837 175.3071 2 M 4.3225 7.6125 110.6175 54.4423 34.3464 173.9433 3 N 4.8795 9.1371 114.2970 53.4707 40.5603 175.4135 4 E 4.7028 7.8245 114.6783 55.9027 29.4151 176.9068 5 K 5.0749 7.7764 118.8354 55.6645 35.2915 177.2315 6 I 4.9500 8.6004 121.8087 60.0825 42.6494 173.9514 7 L 4.9443 8.6277 125.5356 53.5973 45.0334 175.8011 8 I 4.4175 8.4983 129.3113 60.3022 38.3899 175.7693 9 V 4.3819 8.4558 129.4652 62.1058 32.0787 174.4801 10 D 4.8755 8.7746 128.1490 53.4919 43.9573 174.6910 11 D 4.5844 9.0279 125.7710 55.4616 40.1777 176.7007 12 Q 4.3992 7.5402 121.1591 55.5891 29.5745 174.6921 13 Y 4.4495 8.4561 126.4681 58.4075 39.9526 173.9843 14 G 3.7006 7.9264 117.8814 46.5795 0.0000 176.3157 15 I 3.8021 7.5846 122.0757 64.0615 37.0228 178.7370 16 R 4.0203 7.9501 118.0064 58.7408 29.8164 178.6388 17 I 3.7018 7.2967 119.3196 63.6194 37.6381 177.4932 18 L 3.8486 7.6753 119.4236 58.2158 41.6373 179.8322 19 L 3.6314 7.8721 118.3486 58.1766 41.4589 178.2948 20 N 4.5112 7.6624 118.2934 55.3945 38.8195 176.2489 21 E 3.9013 8.5666 119.4540 59.7382 29.8000 180.0065 22 V 3.4136 7.6012 117.7160 66.0137 31.5262 177.4941 23 F 5.0689 7.6497 114.9826 58.3806 38.5702 177.0144 24 N 4.5397 8.0107 117.3871 55.6867 38.8784 176.8189 25 K 4.1713 8.0236 120.7645 58.9922 32.2248 178.3581 26 E 3.9848 7.9864 118.6603 57.0989 30.8108 177.0484 27 G 3.9040 9.0059 106.6268 45.3222 0.0000 171.2771 28 Y 4.5517 8.0226 117.2320 57.5999 43.2070 175.7482 29 Q 4.5902 8.9693 124.7908 55.0905 27.8441 174.7490 30 T 4.9418 8.1562 112.2737 61.0168 71.3069 174.6756 31 F 4.9786 8.8779 121.9159 55.9192 42.7738 173.9115 32 Q 5.1507 8.7957 116.4392 55.2779 32.4144 175.0815 33 A 4.5863 8.2927 122.3556 52.8644 22.1695 176.6436 34 A 5.2234 8.5466 128.9230 54.2406 17.9311 178.8060 35 N 4.4573 7.9066 111.1822 54.2293 38.0356 175.1216 36 G 4.3937 8.1673 111.5361 46.2878 0.0000 176.0475 37 L 4.0331 7.6770 119.9219 57.1685 41.5650 179.2800 38 Q 4.0040 8.5028 119.6054 58.8094 28.9402 178.0994 39 A 3.9706 7.9004 121.4847 55.1847 18.6247 179.4232 40 L 3.9165 7.8291 117.4858 57.7960 41.6597 179.1963 41 D 4.2672 8.1205 117.9100 57.6283 41.2846 178.5412 42 I 3.6246 7.7556 119.9098 63.9454 36.9566 178.4879 43 V 3.6130 7.6422 119.3425 65.4624 31.1614 177.5201 44 T 4.1708 7.6639 113.7356 64.6464 68.6836 176.5108 45 K 4.2034 7.8477 119.9398 57.9055 32.6172 177.2645 46 E 4.3172 7.8087 116.5996 55.5500 31.6840 175.6567 47 R 4.3650 7.8802 116.3894 55.5539 26.4856 173.2452 48 P 4.5892 0.0000 0.0000 62.4235 33.0934 176.3949 49 D 4.8777 8.2189 114.7802 53.8319 43.3599 175.9381 50 L 4.7518 7.7871 121.1139 52.9773 45.2894 174.9924 51 V 4.5945 8.4438 125.8482 61.1220 34.7576 174.3584 52 L 4.7241 8.7581 129.2142 53.7782 42.4618 175.2606 53 L 4.7747 8.5096 127.2901 53.6209 43.8332 174.5672 54 D 5.2197 8.1420 123.5568 52.6551 43.7580 175.9503 55 M 4.6068 8.7846 124.1442 55.7038 32.1165 177.1889 56 K 4.1027 7.7743 118.9578 58.2063 32.5289 175.8062 57 I 4.4834 8.1550 119.5832 60.1850 36.8787 173.4715 58 P 4.8557 0.0000 0.0000 60.5592 29.6312 174.5600 59 G 4.2914 7.5886 111.8729 47.4177 0.0000 171.6331 60 M 4.4533 7.3904 113.2049 53.8210 34.1417 174.3830 61 D 4.4034 8.6008 122.2886 55.0540 41.5510 177.0226 62 G 4.1001 8.6604 108.7956 45.2278 0.0000 175.6787 63 I 3.7575 7.3848 122.9989 64.2497 37.0726 178.2725 64 E 4.0390 8.0903 118.9886 59.2363 29.3872 178.8627 65 I 3.6422 7.8170 119.4401 64.7196 37.2312 177.8507 66 L 3.9535 7.6370 119.2312 57.9490 41.4582 179.7884 67 K 3.8973 7.5738 116.6853 59.7716 32.0984 179.4057 68 R 3.9383 7.8828 117.9700 59.7567 29.9667 179.1096 69 M 4.1055 8.0474 118.2908 58.0584 31.6979 178.5701 70 K 4.2841 7.8790 117.2572 58.1981 32.4518 178.6659 71 V 3.9145 7.4890 117.6113 64.5553 31.6975 177.3077 72 I 4.0925 7.6270 118.7051 62.3314 37.8241 176.0418 73 D 4.7238 7.5529 117.4163 53.1261 44.9185 175.2436 74 E 4.2949 8.7768 122.4011 57.5060 30.1853 176.2200 75 N 4.8273 7.8517 115.8664 52.8365 38.1729 174.3141 76 I 4.3864 7.5601 118.2922 60.7990 39.9808 174.5491 77 R 4.6800 8.1745 127.0184 54.6970 33.2686 175.3321 78 V 5.3916 7.8626 119.7112 61.9462 35.5068 173.3668 79 I 4.8423 8.4152 127.3191 59.7028 40.8258 174.4854 80 I 4.4369 8.0004 125.2015 59.4097 38.6745 176.5531 81 M 4.8158 8.0658 132.2825 53.6604 30.2000 177.9920 82 T 4.7157 7.7040 108.3172 61.9099 68.1833 173.8257 83 A 4.1641 8.4297 125.0214 53.8315 20.1134 178.0366 84 Y 4.4887 7.7896 118.3885 54.5309 38.8892 173.8395 85 G 3.7848 7.7864 120.7345 45.1753 0.0000 172.6416 86 E 4.7086 9.4219 118.3691 54.6323 33.3366 177.3040 87 L 4.6326 7.8324 116.6314 53.5951 42.2447 174.4586 88 D 4.4285 7.3083 120.1141 55.6094 42.6362 176.3419 89 M 4.5508 7.8506 115.3441 55.7452 32.8821 178.3126 90 I 3.7431 7.3993 119.5772 64.1549 38.4300 177.2455 91 Q 4.0675 8.0590 119.8823 59.6211 29.0091 178.1893 92 E 4.1358 8.1010 118.8110 59.4733 29.6123 179.4155 93 S 4.2054 8.1513 115.1103 61.6350 62.7806 175.6868 94 K 4.0093 8.1459 123.6651 58.7747 31.6782 178.2130 95 E 4.0302 8.0522 120.4762 59.3494 29.5103 178.9221 96 L 4.2409 7.6296 119.5214 55.4250 41.5744 178.7692 97 G 3.9892 7.9875 104.3777 45.2787 0.0000 172.9599 98 A 5.0948 7.7223 124.9731 48.9017 17.4666 177.6628 99 L 3.4219 7.3900 117.9625 58.5050 41.3349 178.7152 100 T 4.5445 7.4552 111.5878 60.6535 72.0883 172.1296 101 H 4.8450 8.2484 121.3033 54.3287 31.0753 172.6039 102 F 5.0801 9.0455 123.8145 57.0158 40.7163 175.0201 103 A 5.5592 8.7282 122.8427 50.5652 22.0485 174.9053 104 K 4.3039 8.4210 116.4555 53.7358 34.9240 174.5553 105 P 3.8630 0.0000 0.0000 62.1201 32.0778 175.6461 106 F 4.7591 6.5895 115.9561 55.1918 40.5208 173.8678 107 D 4.9192 8.1541 119.4698 52.1899 42.7537 176.6747 108 I 3.5154 8.4341 127.4140 64.3588 36.9797 178.0339 109 D 4.2722 8.0347 119.6224 57.1869 40.8363 178.0650 110 E 4.0102 8.0795 119.7875 58.8750 29.5651 179.0251 111 I 3.3512 7.0780 119.8136 64.2386 37.3664 178.4553 112 R 4.2269 7.7716 116.7944 59.1565 29.1901 178.6632 113 D 4.2800 8.1952 119.5633 57.3886 40.9337 178.5697 114 A 3.7195 8.1766 121.2173 55.0038 18.3626 179.8640 115 V 3.7266 8.0528 116.9044 65.8051 31.2875 178.6032 116 K 3.9999 7.7828 117.7756 59.3510 32.0781 179.1211 117 K 4.0541 7.6380 117.4340 60.2285 31.9627 178.3928 118 Y 4.6418 7.4757 116.5170 58.7666 37.8159 175.5501 119 L 4.4159 7.9965 127.4598 53.1190 42.5564 174.9775 120 P 4.5104 0.0000 0.0000 62.4144 32.1754 176.2054 121 L 4.4210 8.2800 121.9902 52.8588 42.9771 175.9929 122 K 3.8269 8.3841 120.1099 56.3840 32.4683 176.0677 123 S 3.9331 8.6647 112.9054 59.6545 62.6012 174.2836 124 N 4.4889 8.8882 121.6105 53.6778 38.5526 174.1441 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 4.52 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 M 7.61 4.32 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 3 N 9.14 4.88 0.00 2.69 2.82 0.00 0.00 7.10 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 4 E 7.82 4.70 0.00 1.91 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 2.31 2.30 0.00 5 K 7.78 5.07 0.00 1.72 1.67 0.00 1.43 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.54 7.81 6 I 8.60 4.95 1.88 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 1.00 0.83 0.83 0.00 0.00 7 L 8.63 4.94 0.00 1.62 1.48 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.50 4.42 2.10 0.00 0.00 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 1.24 1.02 0.97 0.00 0.00 9 V 8.46 4.38 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 0.96 0.00 0.00 1.01 0.00 0.00 10 D 8.77 4.88 0.00 2.73 2.54 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 11 D 9.03 4.58 0.00 2.91 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 12 Q 7.54 4.40 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.03 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 13 Y 8.46 4.45 0.00 2.92 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 14 G 7.93 3.70 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 0.00 0.00 0.00 15 I 7.58 3.80 2.25 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 1.85 1.16 0.91 0.00 0.00 16 R 7.95 4.02 0.00 1.94 2.03 0.00 3.38 0.00 0.00 3.49 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 17 I 7.30 3.70 1.56 0.00 0.00 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 0.98 -0.06 0.84 0.00 0.00 18 L 7.68 3.85 0.00 1.88 1.63 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.87 3.63 0.00 1.93 1.75 0.69 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.66 4.51 0.00 3.14 2.81 0.00 0.00 7.01 7.53 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 21 E 8.57 3.90 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 22 V 7.60 3.41 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.76 0.00 0.00 23 F 7.65 5.07 0.00 3.30 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 24 N 8.01 4.54 0.00 2.89 2.89 0.00 0.00 6.85 7.23 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 25 K 8.02 4.17 0.00 1.86 1.81 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 E 7.99 3.98 0.00 2.41 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 2.70 2.49 0.00 27 G 9.01 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 28 Y 8.02 4.55 0.00 3.16 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 29 Q 8.97 4.59 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 30 T 8.16 4.94 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 31 F 8.88 4.98 0.00 3.11 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 32 Q 8.80 5.15 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 33 A 8.29 4.59 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 34 A 8.55 5.22 1.42 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 0.00 0.00 0.00 35 N 7.91 4.46 0.00 2.86 2.98 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.17 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.68 4.03 0.00 1.75 1.74 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.50 4.00 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 39 A 7.90 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.83 3.92 0.00 1.72 1.72 0.92 0.95 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 41 D 8.12 4.27 0.00 2.95 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 42 I 7.76 3.62 1.76 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 1.42 0.37 0.27 0.00 0.00 43 V 7.64 3.61 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 0.98 0.00 0.00 0.91 0.00 0.00 44 T 7.66 4.17 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 1.19 0.00 0.00 45 K 7.85 4.20 0.00 1.75 1.80 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.54 7.81 46 E 7.81 4.32 0.00 1.76 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 2.03 1.84 0.00 47 R 7.88 4.36 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.90 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.48 0.00 48 P 0.00 4.59 0.00 2.16 2.01 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.85 0.00 49 D 8.22 4.88 0.00 2.70 2.68 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 50 L 7.79 4.75 0.00 1.64 1.35 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.44 4.59 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 0.91 0.00 0.00 0.89 0.00 0.00 52 L 8.76 4.72 0.00 1.70 1.66 0.99 0.27 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 53 L 8.51 4.77 0.00 1.78 1.51 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.14 5.22 0.00 2.93 2.52 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 0.00 55 M 8.78 4.61 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 56 K 7.77 4.10 0.00 2.03 1.91 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.73 7.81 57 I 8.15 4.48 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.48 0.97 0.00 0.00 58 P 0.00 4.86 0.00 2.20 2.11 0.00 4.00 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 2.01 1.99 0.00 59 G 7.59 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 0.00 0.00 0.00 0.00 60 M 7.39 4.45 0.00 1.99 2.00 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 2.45 2.59 0.00 61 D 8.60 4.40 0.00 2.81 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 62 G 8.66 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 63 I 7.38 3.76 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 0.91 0.00 0.00 64 E 8.09 4.04 0.00 2.01 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 2.40 2.40 0.00 65 I 7.82 3.64 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.63 0.91 0.00 0.00 66 L 7.64 3.95 0.00 1.78 1.72 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.57 3.90 0.00 2.08 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 68 R 7.88 3.94 0.00 2.07 1.97 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 69 M 8.05 4.11 0.00 2.04 2.22 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 2.76 2.56 0.00 70 K 7.88 4.28 0.00 1.72 1.84 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 71 V 7.49 3.91 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 0.83 0.00 0.00 1.02 0.00 0.00 72 I 7.63 4.09 1.85 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 1.50 0.83 0.89 0.00 0.00 73 D 7.55 4.72 0.00 2.59 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 0.00 0.00 0.00 0.00 74 E 8.78 4.29 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 75 N 7.85 4.83 0.00 2.78 2.88 0.00 0.00 5.91 7.81 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 76 I 7.56 4.39 1.83 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 1.30 0.71 0.95 0.00 0.00 77 R 8.17 4.68 0.00 1.88 1.56 0.00 3.22 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 78 V 7.86 5.39 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 1.04 0.00 0.00 0.92 0.00 0.00 79 I 8.42 4.84 1.90 0.00 0.00 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 1.32 0.56 0.89 0.00 0.00 80 I 8.00 4.44 0.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.70 0.80 0.00 0.00 81 M 8.07 4.82 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 82 T 7.70 4.72 4.54 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 1.32 0.00 0.00 83 A 8.43 4.16 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 84 Y 7.79 4.49 0.00 2.92 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 85 G 7.79 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 9.42 4.71 0.00 2.04 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 0.00 2.17 2.29 0.00 87 L 7.83 4.63 0.00 1.55 1.57 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.31 4.43 0.00 2.84 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 89 M 7.85 4.55 0.00 2.16 2.06 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 2.67 2.58 0.00 90 I 7.40 3.74 1.92 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 1.46 0.92 0.93 0.00 0.00 91 Q 8.06 4.07 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 92 E 8.10 4.14 0.00 2.04 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 2.39 2.40 0.00 93 S 8.15 4.21 0.00 4.03 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 94 K 8.15 4.01 0.00 1.87 1.73 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.57 7.81 95 E 8.05 4.03 0.00 2.14 2.08 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 2.27 2.62 0.00 96 L 7.63 4.24 0.00 1.75 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.72 5.09 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 99 L 7.39 3.42 0.00 1.04 0.44 -0.02 0.42 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 0.00 100 T 7.46 4.54 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 0.74 0.00 0.00 101 H 8.25 4.85 0.00 3.12 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.05 5.08 0.00 3.13 2.97 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 0.00 103 A 8.73 5.56 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.42 4.30 0.00 1.43 1.57 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.04 0.85 7.81 105 P 0.00 3.86 0.00 2.00 1.78 0.00 3.52 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 106 F 6.59 4.76 0.00 2.82 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 0.00 107 D 8.15 4.92 0.00 2.65 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 0.00 0.00 0.00 0.00 108 I 8.43 3.52 1.77 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 0.70 0.00 0.00 109 D 8.03 4.27 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.08 4.01 0.00 1.94 1.55 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 2.61 2.43 0.00 111 I 7.08 3.35 1.53 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.22 0.85 0.00 0.00 112 R 7.77 4.23 0.00 2.36 2.03 0.00 2.71 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 113 D 8.20 4.28 0.00 2.96 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 0.00 114 A 8.18 3.72 1.58 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 0.00 115 V 8.05 3.73 2.32 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 0.45 0.00 0.00 1.07 0.00 0.00 116 K 7.78 4.00 0.00 1.94 1.88 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.35 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.75 7.81 117 K 7.64 4.05 0.00 1.56 1.51 0.00 1.56 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 118 Y 7.48 4.64 0.00 3.05 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 0.00 119 L 8.00 4.42 0.00 1.66 1.66 0.96 1.27 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 0.00 120 P 0.00 4.51 0.00 2.25 2.07 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 121 L 8.28 4.42 0.00 1.72 1.63 0.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.38 3.83 0.00 1.82 1.85 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.13 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.50 7.81 123 S 8.66 3.93 0.00 4.00 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 0.00 124 N 8.89 4.49 0.00 2.84 2.80 0.00 0.00 7.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00