NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4287 8.3049 118.1966 54.9661 32.5364 174.7285 2 L 4.2825 8.0611 119.6690 53.1716 43.1699 175.2429 3 K 4.3043 8.4486 120.0320 56.4675 34.3683 175.6101 4 Q 4.9061 8.8852 125.5778 54.6426 30.4207 174.4601 5 V 4.6741 8.7944 127.4569 61.1815 34.4809 174.1042 6 E 4.6644 8.9996 127.1657 55.3614 31.3053 175.2652 7 I 4.9354 8.2928 124.5435 59.4000 41.1886 174.3642 8 F 5.4519 9.1615 124.9303 55.9252 42.0978 174.3893 9 T 5.3097 8.7149 112.5683 60.6320 71.7501 172.5767 10 D 4.7801 8.9542 120.7407 53.6794 45.1604 174.2678 11 G 4.5000 8.6479 109.8229 45.0664 0.0000 171.3080 12 S 5.0088 8.8447 114.0881 58.0095 66.9718 172.5476 13 C 5.1429 8.2310 119.4467 58.2306 33.9579 173.8971 14 L 4.1988 9.1637 125.4685 56.1637 41.6634 176.6649 15 G 4.0574 7.1446 105.3167 45.3680 0.0000 172.8073 16 N 4.9792 8.3365 115.1190 51.3615 38.7918 172.5616 17 P 4.6391 0.0000 0.0000 61.3950 34.2161 174.7337 18 G 3.9500 7.7734 105.3275 45.4472 0.0000 170.9526 19 P 4.9981 0.0000 0.0000 62.4955 32.7560 176.2327 20 G 4.3678 8.8897 109.0809 45.9931 0.0000 171.2583 21 G 4.6555 8.7533 106.3273 45.7976 0.0000 171.6559 22 Y 5.5453 8.1984 117.3034 55.2504 42.1758 174.8038 23 G 4.6903 9.3901 106.1565 44.9913 0.0000 171.7104 24 A 5.5544 9.5083 125.2236 50.4663 23.4441 174.9026 25 I 5.1315 9.1159 121.0931 59.5628 41.2083 174.4141 26 L 5.2278 9.3022 127.0920 52.9878 44.2408 175.2981 27 R 5.2071 9.3810 124.4989 54.6899 33.0365 173.8308 28 Y 4.8996 9.0878 127.3609 56.7066 42.4427 175.0503 29 R 3.5171 9.2148 126.9242 57.1885 27.7179 177.6183 30 G 4.0130 8.1543 104.5292 45.8839 0.0000 174.4726 31 R 4.3522 7.8199 119.3209 55.6477 31.1064 174.8583 32 E 5.2494 8.4233 120.2535 54.5410 33.0647 174.6250 33 K 4.6049 9.1008 124.8341 54.8957 35.6833 175.2900 34 T 5.1329 8.1941 120.4088 61.8812 71.5757 173.7214 35 F 4.9742 9.0981 122.2150 56.1655 43.4177 173.7273 36 S 4.9948 9.0407 115.4735 58.1502 65.4162 173.0456 37 A 4.3999 7.1605 125.5524 50.8068 22.6048 175.1284 38 G 4.3831 8.2812 105.9531 44.5212 0.0000 171.3140 39 Y 5.3309 9.1630 120.2134 55.8603 40.4715 176.8848 40 T 3.9212 9.0579 114.7148 64.5522 70.0372 174.0723 41 R 4.6542 7.7581 121.8846 55.3568 32.7497 173.6978 42 T 3.9335 8.3821 123.1802 61.8362 71.4188 172.0505 43 T 4.8131 8.0568 108.1677 58.9903 72.2295 173.9991 44 N 4.2004 8.8482 120.1885 57.1787 38.8254 176.6194 45 N 4.2133 7.9454 117.0363 56.4710 38.4830 177.5055 46 R 3.9083 7.7152 118.8844 59.4239 30.0814 179.0843 47 M 4.0911 8.0634 118.6752 58.2196 32.0869 178.6075 48 E 4.0742 8.5080 119.1696 59.2540 29.5302 179.4473 49 L 3.9150 7.9304 119.0002 58.0433 41.7569 179.0540 50 M 3.7615 8.2079 118.2108 58.4764 32.0305 177.9479 51 A 3.5818 7.9248 120.5613 55.1280 18.5810 179.5512 52 A 3.9355 7.5509 118.0407 55.2202 18.3865 179.8997 53 I 3.5702 7.8501 118.5613 64.5887 37.0835 178.8817 54 V 3.3256 8.0124 119.0607 65.6187 31.0139 177.8840 55 A 3.6083 7.4588 119.4986 55.1215 18.5796 179.3574 56 L 3.9116 7.8209 117.4558 57.9369 41.5074 179.6238 57 E 4.0351 8.1571 117.0230 58.6780 29.4120 178.6630 58 A 4.1391 7.2069 119.8087 52.5480 18.4952 177.1249 59 L 4.2323 7.1238 118.3979 53.9281 42.1276 176.8225 60 K 4.4060 8.5790 122.5916 56.2039 32.4328 175.9725 61 E 4.6514 7.4970 115.7179 54.4157 32.5411 174.4643 62 H 4.5238 8.3727 117.1157 56.0999 29.3795 174.5371 63 C 5.0149 8.8537 118.9748 58.2042 33.5713 172.1531 64 E 4.9298 8.9700 119.7219 55.0377 31.1071 175.7866 65 V 4.6641 8.7743 124.3301 61.0935 35.1930 174.3853 66 I 4.4642 8.4883 128.8941 59.5557 38.6196 173.9328 67 L 4.4202 7.9661 130.4271 53.6168 43.2951 174.9761 68 S 5.4440 8.8195 122.7906 56.2251 64.2422 172.7139 69 T 5.0387 8.4721 120.4178 60.8273 70.9977 172.9269 70 D 5.5417 8.5365 123.0009 52.5475 40.0291 177.2493 71 S 4.6253 7.9994 118.7828 58.1725 62.8998 174.5916 72 Q 3.8582 8.6312 127.3953 58.8665 28.6460 177.9449 73 Y 4.3046 8.2487 120.0803 60.8590 38.8223 178.2840 74 V 3.6028 7.8922 118.4763 65.9302 31.7058 177.5122 75 R 2.5100 7.5499 118.2674 59.1904 29.6934 178.3742 76 Q 3.3258 7.6054 117.8458 58.4771 28.4846 179.3053 77 G 2.6614 7.0868 106.4283 47.4332 0.0000 175.9366 78 I 3.6175 7.5572 121.9833 63.4917 37.1802 177.7397 79 T 4.2810 7.3848 107.3992 61.8939 69.0478 174.4706 80 Q 4.0947 6.9103 118.4865 56.7186 32.2471 176.9286 81 W 3.6218 7.2385 116.6478 59.4259 28.7975 178.6497 82 I 3.2965 6.9450 117.8486 64.2952 37.7711 176.5796 83 H 4.0056 7.8664 118.1532 59.3225 29.6895 176.4710 84 N 4.1911 7.8361 117.4875 56.3991 38.4657 177.2666 85 W 4.2919 7.4251 119.7254 59.6073 28.7745 178.4929 86 K 3.6043 7.2348 116.4549 57.8151 31.6283 178.0745 87 A 4.4991 7.7644 119.3759 52.0273 19.5699 177.4085 88 R 4.4277 7.0852 115.2963 55.2496 31.3788 176.2164 89 G 3.9736 8.4405 104.6618 46.2595 0.0000 173.8697 90 W 3.5975 8.3431 116.9499 57.1655 27.0897 174.2965 91 K 4.8899 7.6009 114.9835 54.4413 35.7316 176.9163 92 T 4.0544 9.3976 113.6505 61.1464 69.3296 175.0140 93 A 4.1434 8.5974 125.0825 55.2505 18.2909 177.9865 94 D 4.6774 8.0056 113.3425 53.1631 39.5269 177.9156 95 K 3.9367 8.3972 117.6521 57.3433 31.0373 176.2429 96 K 4.2423 7.7144 119.3390 55.3054 33.0058 175.0515 97 P 4.4012 0.0000 0.0000 62.8421 32.0899 176.6993 98 V 3.5764 8.0928 115.7932 60.7478 32.6617 175.9868 99 K 3.8850 8.3877 125.2042 57.9335 32.6786 176.0693 100 N 4.4370 9.0005 121.7823 54.1566 36.4604 176.8834 101 V 3.6885 7.5283 121.0163 64.9852 30.7478 176.9629 102 D 4.2386 8.0061 119.3015 56.2268 39.2101 178.3937 103 L 4.0402 7.7386 119.6801 56.9835 41.8940 179.0360 104 W 4.4284 8.3835 119.1176 59.9935 29.0128 178.6255 105 Q 3.5472 8.1167 118.0570 58.7469 28.0091 178.9164 106 R 3.9172 7.6110 118.0856 58.9466 30.0883 178.9087 107 L 3.9562 8.1418 120.1636 58.2058 42.3237 178.1999 108 D 4.5638 8.6112 117.9984 57.6594 40.9308 178.1878 109 A 4.0615 7.9699 119.3559 55.2974 18.7605 179.1825 110 A 4.1259 8.0649 119.2262 55.1803 18.3392 179.6909 111 L 4.1739 8.7345 118.1141 58.0297 41.6134 179.5178 112 G 3.9153 7.9723 102.0712 46.0772 0.0000 174.4132 113 Q 4.4340 7.9998 119.5104 55.5118 29.2140 174.2135 114 H 5.0756 7.3066 115.7645 54.3160 33.8128 172.9353 115 Q 4.4398 8.7039 119.5148 55.0234 29.8233 174.9274 116 I 4.6488 8.2916 125.0876 59.0987 39.9167 175.0458 117 K 4.4037 8.7054 128.4292 54.4409 34.0113 174.8036 118 W 4.5489 8.6543 127.7433 55.7411 30.6674 176.1307 119 E 4.3125 8.7421 124.1601 54.0462 31.3015 175.1286 120 W 4.9185 8.3580 125.0486 56.7054 29.4645 176.5862 121 V 4.3495 8.9602 118.9615 59.7878 34.4697 175.9910 122 K 4.6031 8.2068 121.5470 54.8226 32.5236 173.6875 123 G 4.2016 8.0775 115.4927 44.9813 0.0000 171.4771 124 A 4.3567 8.2559 135.0000 52.2012 25.5564 179.9385 125 A 4.5098 8.9204 121.6446 54.3490 20.3635 178.2395 126 G 3.8694 8.8849 107.1710 46.0676 0.0000 174.1706 127 H 4.9403 7.4014 115.4848 52.5964 29.4995 171.9393 128 P 4.1884 0.0000 0.0000 65.6892 31.7702 178.1309 129 E 3.7206 7.7164 116.7139 59.2782 29.1895 179.0729 130 N 4.4383 7.8924 116.0551 56.4243 38.7283 177.1347 131 E 4.0126 8.2587 120.0075 59.3362 29.5043 179.4331 132 R 4.0638 8.0503 118.9002 59.6341 30.0888 178.3985 133 C 4.2559 8.2180 116.6562 62.6583 28.0625 175.5710 134 D 4.5276 8.2007 121.0143 56.9017 40.7940 178.0489 135 E 3.9735 8.1786 119.0175 59.4679 29.5075 179.3665 136 L 3.9468 8.0302 118.5623 57.7978 41.7345 179.4842 137 A 4.1381 8.2065 120.6539 55.4151 17.9076 179.9870 138 R 3.9196 8.5323 116.7857 59.2398 29.8736 179.1696 139 A 4.0255 8.1660 119.9647 54.8087 18.6940 179.2300 140 A 4.0130 8.1589 119.4075 55.0914 18.2349 179.7083 141 A 4.1043 7.8997 118.5368 55.2107 18.5126 179.0815 142 M 4.2792 7.5645 114.8270 56.4293 33.5271 176.2876 143 N 5.0363 7.6885 115.8529 51.0886 39.5608 172.9535 144 P 4.3774 0.0000 0.0000 63.0919 32.4671 177.0025 145 T 4.5121 8.1724 108.3701 60.8038 70.2646 173.2182 146 L 4.6828 7.7049 122.0325 52.8185 44.9251 174.5515 147 E 4.8387 8.4697 120.8177 54.6649 31.2193 176.0424 148 D 4.8186 8.6151 126.1821 53.0076 40.0070 176.1156 149 T 3.9128 8.5820 121.2753 66.3490 68.7131 175.8537 150 G 4.1643 8.0195 106.0613 46.1115 0.0000 172.6953 151 Y 4.2280 7.8892 122.6150 57.2252 39.1843 174.4986 152 Q 4.2427 7.6930 125.9140 53.2810 31.0668 175.6426 153 V 3.3658 7.9430 122.5245 62.7422 32.0196 175.4290 154 E 3.8441 8.8792 125.8792 58.2760 29.9685 177.5309 155 V 3.6442 8.3699 114.2927 62.0090 31.8500 173.5336 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 4.43 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 L 8.06 4.28 0.00 1.73 1.62 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.45 4.30 0.00 1.42 1.07 0.00 1.06 0.00 0.00 1.65 0.00 0.00 2.47 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 4 Q 8.89 4.91 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 5 V 8.79 4.67 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 1.02 0.00 0.00 0.74 0.00 0.00 6 E 9.00 4.66 0.00 1.97 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 2.20 2.28 0.00 7 I 8.29 4.94 1.59 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.82 0.81 0.00 0.00 8 F 9.16 5.45 0.00 2.99 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 9 T 8.71 5.31 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 1.24 0.00 0.00 10 D 8.95 4.78 0.00 2.87 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 11 G 8.65 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.84 5.01 0.00 3.90 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 13 C 8.23 5.14 0.00 2.95 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 14 L 9.16 4.20 0.00 1.64 1.69 0.92 0.69 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 15 G 7.14 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.34 4.98 0.00 2.65 2.67 0.00 0.00 6.85 7.69 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 17 P 0.00 4.64 0.00 1.80 1.79 0.00 3.93 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 18 G 7.77 3.95 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 0.00 0.00 0.00 19 P 0.00 5.00 0.00 2.15 1.99 0.00 3.87 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 2.10 1.92 0.00 20 G 8.89 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.75 4.66 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 0.00 0.00 0.00 22 Y 8.20 5.55 0.00 3.23 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 23 G 9.39 4.69 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 0.00 0.00 0.00 24 A 9.51 5.55 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 25 I 9.12 5.13 2.13 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 1.05 0.00 0.00 26 L 9.30 5.23 0.00 1.83 1.69 1.06 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.38 5.21 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 28 Y 9.09 4.90 0.00 2.95 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 R 9.21 3.52 0.00 1.39 1.62 0.00 3.22 0.00 0.00 2.94 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 30 G 8.15 4.01 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 0.00 0.00 0.00 31 R 7.82 4.35 0.00 2.11 1.90 0.00 3.12 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 32 E 8.42 5.25 0.00 1.94 1.76 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 2.22 2.38 0.00 33 K 9.10 4.60 0.00 1.82 1.40 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.43 7.81 34 T 8.19 5.13 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 1.20 0.00 0.00 35 F 9.10 4.97 0.00 3.10 3.14 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 36 S 9.04 4.99 0.00 3.84 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 37 A 7.16 4.40 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.28 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 0.00 0.00 0.00 0.00 39 Y 9.16 5.33 0.00 2.85 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 40 T 9.06 3.92 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 1.21 0.00 0.00 41 R 7.76 4.65 0.00 1.77 1.80 0.00 3.43 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.00 42 T 8.38 3.93 4.08 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 1.18 0.00 0.00 43 T 8.06 4.81 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 1.18 0.00 0.00 44 N 8.85 4.20 0.00 2.83 2.82 0.00 0.00 6.89 6.71 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 45 N 7.95 4.21 0.00 2.39 1.65 0.00 0.00 7.08 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 46 R 7.72 3.91 0.00 1.89 1.87 0.00 3.42 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 47 M 8.06 4.09 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.79 0.00 48 E 8.51 4.07 0.00 2.28 2.13 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 2.42 2.56 0.00 49 L 7.93 3.92 0.00 1.74 1.48 0.13 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.21 3.76 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.62 0.00 51 A 7.92 3.58 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.55 3.94 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 53 I 7.85 3.57 1.86 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 1.37 0.79 0.86 0.00 0.00 54 V 8.01 3.33 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 0.80 0.00 0.00 0.63 0.00 0.00 55 A 7.46 3.61 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 56 L 7.82 3.91 0.00 1.64 1.66 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.16 4.04 0.00 1.85 1.95 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 2.31 2.47 0.00 58 A 7.21 4.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.12 4.23 0.00 1.65 1.54 0.57 0.76 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 60 K 8.58 4.41 0.00 1.71 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 61 E 7.50 4.65 0.00 1.95 1.80 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 2.10 2.26 0.00 62 H 8.37 4.52 0.00 3.03 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.85 5.01 0.00 2.75 2.84 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 64 E 8.97 4.93 0.00 1.87 1.81 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 2.23 2.22 0.00 65 V 8.77 4.66 1.81 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 0.65 0.00 0.00 0.71 0.00 0.00 66 I 8.49 4.46 1.65 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.74 0.00 0.00 67 L 7.97 4.42 0.00 0.95 0.51 0.40 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.82 5.44 0.00 3.77 3.44 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 69 T 8.47 5.04 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 1.62 0.00 0.00 70 D 8.54 5.54 0.00 3.03 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 71 S 8.00 4.63 0.00 4.06 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 0.00 72 Q 8.63 3.86 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 73 Y 8.25 4.30 0.00 3.13 3.26 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 74 V 7.89 3.60 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.02 0.00 0.00 75 R 7.55 2.51 0.00 0.67 1.30 0.00 2.21 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 76 Q 7.61 3.33 0.00 1.09 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 77 G 7.09 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 0.00 0.00 0.00 78 I 7.56 3.62 1.57 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.06 0.50 0.00 0.00 79 T 7.38 4.28 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 1.09 0.00 0.00 80 Q 6.91 4.09 0.00 1.28 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.11 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 81 W 7.24 3.62 0.00 1.78 1.74 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 82 I 6.95 3.30 1.81 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.83 0.00 0.00 83 H 7.87 4.01 0.00 3.10 3.09 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.84 4.19 0.00 2.52 2.73 0.00 0.00 7.00 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 7.43 4.29 0.00 2.82 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 0.00 0.00 0.00 0.00 86 K 7.23 3.60 0.00 1.68 1.70 0.00 1.71 0.00 0.00 1.57 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.17 7.81 87 A 7.76 4.50 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 88 R 7.09 4.43 0.00 1.84 1.99 0.00 3.26 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 89 G 8.44 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.34 3.60 0.00 3.52 3.24 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 0.00 91 K 7.60 4.89 0.00 1.83 1.65 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.62 7.81 92 T 9.40 4.05 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 1.16 0.00 0.00 93 A 8.60 4.14 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 94 D 8.01 4.68 0.00 2.78 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 95 K 8.40 3.94 0.00 1.88 2.00 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.54 7.81 96 K 7.71 4.24 0.00 1.88 1.69 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.49 7.81 97 P 0.00 4.40 0.00 1.89 1.97 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 98 V 8.09 3.58 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.78 0.00 0.00 99 K 8.39 3.89 0.00 1.69 1.77 0.00 1.93 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.48 7.81 100 N 9.00 4.44 0.00 3.24 2.92 0.00 0.00 6.88 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.53 3.69 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 0.81 0.00 0.00 0.86 0.00 0.00 102 D 8.01 4.24 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.74 4.04 0.00 1.55 1.57 0.80 0.89 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 0.00 104 W 8.38 4.43 0.00 3.53 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.12 3.55 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.61 3.92 0.00 2.01 1.94 0.00 3.09 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 107 L 8.14 3.96 0.00 1.80 2.03 1.09 1.16 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 0.00 108 D 8.61 4.56 0.00 3.32 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 0.00 109 A 7.97 4.06 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 0.00 110 A 8.06 4.13 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 0.00 111 L 8.73 4.17 0.00 2.10 1.91 1.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 8.00 4.43 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 114 H 7.31 5.08 0.00 2.88 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.70 4.44 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 116 I 8.29 4.65 1.57 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 1.29 0.67 -0.21 0.00 0.00 117 K 8.71 4.40 0.00 1.67 1.50 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.34 7.81 118 W 8.65 4.55 0.00 2.58 1.74 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 0.00 119 E 8.74 4.31 0.00 1.68 1.81 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 2.19 2.17 0.00 120 W 8.36 4.92 0.00 3.22 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 0.00 121 V 8.96 4.35 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 1.01 0.00 0.00 1.04 0.00 0.00 122 K 8.21 4.60 0.00 1.84 1.78 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.46 7.81 123 G 8.08 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 0.00 124 A 8.26 4.36 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.92 4.51 1.24 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 0.00 0.00 0.00 126 G 8.88 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 0.00 0.00 0.00 127 H 7.40 4.94 0.00 3.25 3.49 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.19 0.00 2.04 2.04 0.00 3.51 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 2.05 2.14 0.00 129 E 7.72 3.72 0.00 1.16 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 1.60 2.07 0.00 130 N 7.89 4.44 0.00 3.00 2.95 0.00 0.00 7.15 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 0.00 131 E 8.26 4.01 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 132 R 8.05 4.06 0.00 2.07 1.97 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 133 C 8.22 4.26 0.00 3.30 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 0.00 134 D 8.20 4.53 0.00 2.97 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 0.00 135 E 8.18 3.97 0.00 2.24 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 2.34 2.53 0.00 136 L 8.03 3.95 0.00 1.92 1.74 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.21 4.14 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 0.00 0.00 0.00 0.00 0.00 138 R 8.53 3.92 0.00 1.84 2.00 0.00 3.14 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 139 A 8.17 4.03 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 0.00 140 A 8.16 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.90 4.10 1.38 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 0.00 0.00 0.00 142 M 7.56 4.28 0.00 2.01 2.11 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 2.77 2.56 0.00 143 N 7.69 5.04 0.00 2.61 2.66 0.00 0.00 6.98 7.97 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 0.00 144 P 0.00 4.38 0.00 2.18 2.11 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.17 4.51 4.16 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 1.19 0.00 0.00 146 L 7.70 4.68 0.00 0.77 1.22 0.62 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.47 4.84 0.00 1.95 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 2.32 0.00 148 D 8.62 4.82 0.00 2.69 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 0.00 149 T 8.58 3.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 150 G 8.02 4.16 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 0.00 151 Y 7.89 4.23 0.00 3.10 3.06 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 0.00 0.00 0.00 152 Q 7.69 4.24 0.00 1.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.64 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 153 V 7.94 3.37 2.00 0.00 0.00 0.00 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 0.93 0.00 0.00 154 E 8.88 3.84 0.00 1.99 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 2.36 2.44 0.00 155 V 8.37 3.64 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 0.61 0.00 0.00 0.92 0.00 0.00