NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5309 8.1627 120.3617 55.9491 34.5148 177.2893 2 M 3.9753 8.0338 117.5575 57.8757 32.3431 176.3006 3 D 4.3866 8.3514 118.0451 57.3281 41.9003 177.0548 4 Y 4.1365 7.9390 119.6157 60.7365 38.9661 177.6913 5 L 3.7118 8.3464 120.2629 57.7407 41.2128 179.3512 6 I 3.7090 7.8203 119.9072 64.8151 36.9781 178.3712 7 T 4.1619 7.9066 108.2057 63.2774 68.8572 174.9698 8 Q 4.3554 7.3863 119.5858 54.7347 29.5932 175.3509 9 N 4.1145 7.4821 113.4118 54.4329 36.7081 174.2653 10 G 3.9903 8.4265 101.0656 45.8310 0.0000 176.1420 11 G 3.8553 7.7570 109.2624 47.3680 0.0000 175.4395 12 M 3.9280 8.2340 120.1507 59.1423 31.9470 178.4791 13 V 3.5215 7.5236 111.5942 64.6080 31.6831 178.6220 14 F 4.3327 8.0333 117.0894 60.2415 38.7612 177.7547 15 A 4.0985 8.0219 120.3515 54.8929 18.2582 179.6686 16 V 3.5089 8.1747 117.2810 66.1639 31.5903 178.0061 17 L 4.0142 8.2107 119.9338 58.0134 41.8460 178.8399 18 A 4.2827 8.0662 122.1199 54.9541 18.3784 179.4939 19 M 4.0176 8.1619 116.9538 58.3948 32.0503 178.7654 20 A 3.9942 8.1415 121.0963 55.3330 18.4526 179.6329 21 T 3.9806 8.3536 108.3118 65.1396 68.6493 176.0927 22 A 4.0968 8.1186 124.3696 55.0055 18.3733 179.8148 23 T 3.8766 7.9567 113.8266 66.8594 68.5318 177.0563 24 I 3.5134 8.1266 121.8424 64.5180 37.1535 178.6810 25 F 4.0370 7.7535 118.2081 60.3688 38.7238 178.0479 26 S 4.2962 7.8353 113.7748 61.3852 62.7880 176.7258 27 G 3.6073 8.2369 109.4222 47.5582 0.0000 175.6784 28 I 3.7487 8.0947 122.8879 63.8659 37.0318 178.5055 29 G 3.7321 8.0836 106.5242 48.1444 0.0000 175.8116 30 S 4.5805 8.4638 119.1158 60.5584 62.8108 176.5203 31 A 3.9480 8.4368 123.7426 55.1724 18.1144 179.8947 32 K 3.9850 8.4882 117.3143 59.4918 32.2068 179.8566 33 G 3.5566 8.2579 106.1204 47.9487 0.0000 175.8461 34 V 3.7105 8.5616 122.1270 65.2665 31.4830 178.2304 35 G 3.5776 8.2611 105.5758 48.0417 0.0000 175.1348 36 M 4.1554 8.4414 121.7640 58.6810 32.2378 178.4808 37 T 3.9995 8.0901 115.8459 66.3974 68.5925 176.7321 38 G 3.7579 8.4695 108.1670 48.0453 0.0000 175.4312 39 E 3.9775 8.3483 120.8229 59.0548 29.5224 179.3829 40 A 3.9969 7.9627 120.2185 55.1043 18.4682 179.5561 41 A 3.9560 8.5361 119.5362 55.1039 18.2192 179.6325 42 A 3.9579 8.3262 118.4689 55.2962 18.6626 179.2613 43 A 4.0938 8.0234 119.1900 55.3997 18.4069 179.5826 44 L 3.9285 8.0371 118.6750 58.7280 41.8865 179.3769 45 T 4.0249 8.1035 115.7682 66.5030 68.1054 176.5845 46 T 3.9229 7.6754 111.3008 63.7159 68.7651 175.1573 47 S 4.6401 7.5820 114.3963 58.5137 65.2913 174.2847 48 Q 4.6663 8.3277 120.2167 52.9927 28.8448 173.9127 49 P 4.4000 0.0000 0.0000 64.7813 32.0863 179.1694 50 E 4.1522 8.1540 116.0184 58.2461 29.9466 177.3182 51 K 4.5839 7.8670 119.4222 56.4915 32.5810 177.8541 52 F 4.3208 8.3464 123.2266 61.6119 39.1224 177.3306 53 G 3.5096 8.1876 104.4075 48.0671 0.0000 175.3884 54 Q 3.9311 7.9716 120.0258 58.4293 28.7949 178.4348 55 A 3.9642 7.9931 121.8282 54.9787 18.4475 179.4062 56 L 3.6553 7.9136 119.1625 58.2105 41.5609 179.1629 57 I 3.6066 7.4977 119.6608 64.5126 36.8435 178.3252 58 L 4.0020 7.4462 117.8372 57.9439 41.5085 179.1954 59 Q 4.0689 7.7559 118.4818 58.9796 29.1512 177.9285 60 L 4.0850 7.7806 119.9964 57.0730 41.1507 179.0134 61 L 3.9213 7.4978 118.3982 57.6394 41.8963 177.4986 62 P 5.0224 0.0000 0.0000 63.2549 30.5912 178.0827 63 G 3.7545 8.1965 106.2832 46.4948 0.0000 176.0057 64 T 3.7233 7.4640 112.0842 64.3835 68.7359 176.4274 65 Q 4.1915 8.1044 120.7393 59.2096 28.7480 179.5546 66 G 3.6610 8.3537 106.5115 47.6631 0.0000 175.7593 67 L 3.9927 7.1083 118.1784 57.7180 41.5094 178.9250 68 Y 4.3854 7.6264 116.8530 61.2119 37.7766 179.0521 69 G 4.3631 8.2788 107.8055 47.3221 0.0000 175.2989 70 F 4.1796 8.5552 123.4019 61.0392 39.3783 177.2374 71 V 3.7510 8.4081 117.9511 66.2553 31.3244 177.8960 72 I 3.8002 8.4828 119.4648 64.4577 36.9459 178.1279 73 A 3.9814 8.3448 121.7611 55.3449 18.2287 179.5350 74 F 3.9175 8.3347 119.2889 61.1106 39.1626 177.1709 75 L 3.9665 8.0936 119.5621 57.9965 42.1973 178.6350 76 I 3.6086 7.9029 119.9346 64.2096 36.9128 177.8972 77 F 3.9641 8.0393 121.7249 61.3284 38.9753 176.9091 78 I 3.5931 7.2673 109.5141 62.2601 37.5350 176.5370 79 N 4.7746 7.2773 117.4334 54.8065 39.3064 176.5291 80 L 4.0705 7.1409 123.6099 54.7358 42.3484 174.8340 81 G 3.8183 8.2173 106.7564 44.7033 0.0000 173.6892 82 S 4.3462 8.2518 117.3530 58.8951 63.6997 174.1128 83 D 4.5714 7.8331 119.7467 54.5371 41.5030 175.4630 84 M 4.1747 7.7509 119.3974 55.9182 32.9057 175.8774 85 S 4.6700 8.4541 121.0164 57.7008 65.7849 175.3854 86 V 3.6913 8.2437 121.6139 66.0408 31.2131 178.1731 87 V 3.4801 7.7525 117.5675 66.0987 31.3883 177.6504 88 Q 3.8987 7.9570 118.8627 58.9835 28.9092 178.1544 89 G 4.0169 8.4327 107.0126 48.2248 0.0000 175.5834 90 L 3.9459 8.3233 122.1480 57.2886 41.4420 179.3337 91 N 4.2370 8.2090 116.5980 56.3554 38.4465 177.3504 92 F 4.2745 8.1171 119.0638 60.4822 38.7814 177.4598 93 L 4.1816 7.9629 119.0339 58.1110 42.2219 178.9434 94 G 3.7598 8.5628 105.8468 47.9098 0.0000 175.3481 95 A 4.0931 8.3847 124.1582 54.9422 18.3329 179.7258 96 S 4.2620 8.3132 112.3450 60.8951 63.2255 176.7342 97 L 4.1617 7.9158 123.2239 57.3968 41.4473 177.2014 98 P 4.3669 0.0000 0.0000 66.0144 31.3525 178.4928 99 I 3.8684 8.1467 116.8956 63.7862 37.9094 177.5468 100 A 3.9760 8.0447 121.7589 55.3148 18.2243 179.3436 101 F 4.5374 8.3289 115.6317 59.9904 39.6582 178.6189 102 T 4.2570 8.4277 109.8116 64.6220 68.4719 176.7937 103 G 3.7278 8.4161 108.5819 47.6198 0.0000 175.0005 104 L 4.0029 7.9992 123.5092 58.0640 41.9792 179.2625 105 F 4.2281 8.5427 117.5519 60.4259 38.8933 178.1160 106 S 4.3658 8.8562 114.6118 61.2407 62.8272 176.5227 107 G 3.8645 8.3594 109.4780 47.8041 0.0000 175.5206 108 I 3.7080 7.6510 122.0192 63.8520 37.3171 178.3626 109 A 4.0408 8.2919 121.6804 55.3660 18.3428 179.4650 110 Q 4.0909 8.9969 118.9459 59.2149 29.0369 178.5356 111 G 3.7112 8.2636 106.8040 47.7987 0.0000 175.7037 112 K 3.9764 8.0053 120.6470 59.2264 32.0219 179.6521 113 V 3.5859 7.7746 117.8313 65.8568 31.5701 177.8553 114 A 3.9832 8.5411 120.7275 55.1464 18.0228 179.2991 115 A 3.9375 8.1278 118.1061 55.4319 18.7395 179.2843 116 A 4.1848 8.2368 119.2793 55.3900 18.4360 180.0706 117 G 3.7069 8.3797 104.2723 47.9809 0.0000 175.7779 118 I 3.7724 7.5989 121.5080 64.6183 37.0582 178.4209 119 Q 4.0419 8.1114 118.7858 58.5906 28.3911 178.7180 120 I 3.7011 7.6427 120.6754 64.3266 37.0580 177.7566 121 L 3.8312 7.8016 119.5258 58.2798 41.8862 178.6380 122 A 4.1385 8.0099 119.6841 54.7160 18.4143 178.9149 123 K 4.3689 7.8915 115.0284 56.9729 34.7057 177.4937 124 K 4.7113 8.6517 118.0797 53.6204 32.5961 175.0584 125 P 4.5140 0.0000 0.0000 65.5613 31.6870 178.9172 126 E 4.1162 8.1725 114.8669 58.1018 30.0539 176.7903 127 H 4.8182 8.5676 117.1830 55.5893 29.6175 175.9653 128 A 4.0570 7.8028 125.5002 55.6348 17.8899 180.5946 129 T 3.8072 7.9364 113.8416 66.7358 68.4020 176.5106 130 K 3.7070 8.0030 120.2400 59.3360 32.0544 179.4497 131 G 3.7886 8.0643 105.3377 47.8972 0.0000 175.5146 132 I 3.7038 7.5953 121.7653 64.1769 37.2514 178.5583 133 I 3.6176 7.8016 120.6574 64.3517 36.6935 178.2672 134 F 4.4562 7.7104 117.1305 60.8716 39.1752 177.3800 135 A 4.2050 8.2264 119.8954 55.1808 18.2286 179.4437 136 A 4.0146 8.6485 119.5697 55.6699 17.9858 179.7486 137 M 4.1091 8.1312 116.8919 58.4015 31.9175 178.9568 138 V 4.0953 7.9729 118.3602 65.4208 31.6861 177.3690 139 E 3.9949 8.3190 119.5261 59.8409 29.3116 178.9910 140 T 3.6110 7.1385 116.0044 67.0154 68.4166 175.6910 141 Y 4.3524 7.3577 117.4287 60.4544 37.8667 178.0933 142 A 4.1601 8.0803 121.7302 55.1017 18.5881 179.5087 143 I 3.3065 7.7326 118.2909 64.4021 37.2104 178.5596 144 L 4.0814 8.3374 120.3004 57.8331 41.5073 179.7287 145 G 4.1438 8.1253 106.8886 47.2414 0.0000 175.3919 146 F 4.2223 8.5528 123.5056 60.9955 39.3534 177.3825 147 V 3.4352 8.2110 118.2502 65.9658 31.3106 178.0574 148 I 3.7003 7.8016 119.4609 64.5321 36.9019 178.4634 149 S 4.4120 8.0276 117.2653 60.9027 62.6905 176.4946 150 F 3.7726 8.3078 123.4802 61.3070 38.9633 177.0657 151 L 4.0131 8.1568 118.4857 57.9843 41.3376 179.6836 152 L 3.9535 8.0734 118.8587 57.5419 41.2677 179.7674 153 V 3.6002 7.7381 117.7271 66.0849 31.6228 177.9915 154 L 4.0103 7.4858 117.0713 56.6828 41.4475 177.8869 155 N 4.6829 7.2689 114.0755 53.0683 39.3771 174.7745 156 A 3.9337 7.1945 126.0941 53.0643 18.4240 177.1276 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 8.16 4.53 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.03 3.98 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.35 4.39 0.00 2.80 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 4 Y 7.94 4.14 0.00 3.09 3.15 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 5 L 8.35 3.71 0.00 1.81 1.76 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.82 3.71 2.09 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 1.60 1.10 0.92 0.00 0.00 7 T 7.91 4.16 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 1.27 0.00 0.00 8 Q 7.39 4.36 0.00 1.55 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.64 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 9 N 7.48 4.11 0.00 2.77 2.93 0.00 0.00 6.79 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 10 G 8.43 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 11 G 7.76 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 M 8.23 3.93 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 13 V 7.52 3.52 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 0.66 0.00 0.00 0.19 0.00 0.00 14 F 8.03 4.33 0.00 3.33 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 15 A 8.02 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.17 3.51 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 0.99 0.00 0.00 0.96 0.00 0.00 17 L 8.21 4.01 0.00 1.97 1.97 1.00 1.33 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 18 A 8.07 4.28 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 19 M 8.16 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.72 0.00 20 A 8.14 3.99 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 21 T 8.35 3.98 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 1.49 0.00 0.00 22 A 8.12 4.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.96 3.88 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 1.30 0.00 0.00 24 I 8.13 3.51 1.50 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 1.35 0.65 0.18 0.00 0.00 25 F 7.75 4.04 0.00 2.83 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 26 S 7.84 4.30 0.00 4.36 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.24 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 0.00 0.00 0.00 28 I 8.09 3.75 1.94 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 1.36 0.62 0.87 0.00 0.00 29 G 8.08 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 4.58 0.00 3.96 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 31 A 8.44 3.95 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 32 K 8.49 3.99 0.00 1.85 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 33 G 8.26 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.56 3.71 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 1.02 0.00 0.00 1.00 0.00 0.00 35 G 8.26 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 36 M 8.44 4.16 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.09 4.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 38 G 8.47 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 0.00 0.00 0.00 39 E 8.35 3.98 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 40 A 7.96 4.00 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 41 A 8.54 3.96 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 42 A 8.33 3.96 1.37 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 43 A 8.02 4.09 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 44 L 8.04 3.93 0.00 1.80 1.88 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.10 4.02 4.43 0.00 0.00 0.00 0.00 0.00 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 46 T 7.68 3.92 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 1.33 0.00 0.00 47 S 7.58 4.64 0.00 3.89 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 48 Q 8.33 4.67 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 49 P 0.00 4.40 0.00 2.19 2.29 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.15 4.15 0.00 2.12 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 0.00 2.30 2.29 0.00 51 K 7.87 4.58 0.00 1.95 1.87 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.39 7.81 52 F 8.35 4.32 0.00 3.23 3.10 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 53 G 8.19 3.51 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 0.00 54 Q 7.97 3.93 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 55 A 7.99 3.96 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 56 L 7.91 3.66 0.00 1.16 1.50 0.77 0.60 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 57 I 7.50 3.61 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.94 0.87 0.00 0.00 58 L 7.45 4.00 0.00 1.80 1.73 0.94 0.84 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 59 Q 7.76 4.07 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 60 L 7.78 4.09 0.00 1.86 1.63 0.85 0.47 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 61 L 7.50 3.92 0.00 1.95 1.74 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.02 0.00 2.18 2.25 0.00 4.01 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 63 G 8.20 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 0.00 0.00 0.00 64 T 7.46 3.72 3.51 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 1.05 0.00 0.00 65 Q 8.10 4.19 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 66 G 8.35 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 0.00 0.00 0.00 67 L 7.11 3.99 0.00 1.54 1.58 0.74 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.63 4.39 0.00 3.28 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 69 G 8.28 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 0.00 0.00 0.00 0.00 70 F 8.56 4.18 0.00 3.23 3.28 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 71 V 8.41 3.75 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 1.50 0.00 0.00 1.22 0.00 0.00 72 I 8.48 3.80 2.19 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.84 0.99 0.00 0.00 73 A 8.34 3.98 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 74 F 8.33 3.92 0.00 2.74 3.11 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 0.00 75 L 8.09 3.97 0.00 1.91 1.85 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.90 3.61 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.84 0.30 0.00 0.00 77 F 8.04 3.96 0.00 2.98 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 78 I 7.27 3.59 1.69 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 1.58 0.57 0.47 0.00 0.00 79 N 7.28 4.77 0.00 2.87 2.98 0.00 0.00 6.99 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.14 4.07 0.00 1.36 1.32 0.59 0.65 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 81 G 8.22 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.25 4.35 0.00 3.96 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 83 D 7.83 4.57 0.00 2.64 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 84 M 7.75 4.17 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.64 0.00 85 S 8.45 4.67 0.00 4.09 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 86 V 8.24 3.69 2.11 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 0.96 0.00 0.00 1.11 0.00 0.00 87 V 7.75 3.48 2.05 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 0.99 0.00 0.00 0.89 0.00 0.00 88 Q 7.96 3.90 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 89 G 8.43 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 90 L 8.32 3.95 0.00 1.67 1.57 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.21 4.24 0.00 2.66 2.60 0.00 0.00 6.99 7.75 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 92 F 8.12 4.27 0.00 3.42 3.04 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 93 L 7.96 4.18 0.00 1.94 1.95 1.11 1.30 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 94 G 8.56 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 0.00 0.00 0.00 95 A 8.38 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.31 4.26 0.00 4.25 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.92 4.16 0.00 1.94 1.96 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.37 0.00 2.34 2.19 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.15 3.87 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.46 1.10 0.00 0.00 100 A 8.04 3.98 1.15 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 0.00 101 F 8.33 4.54 0.00 3.29 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 0.00 102 T 8.43 4.26 4.57 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 1.40 0.00 0.00 103 G 8.42 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 4.00 0.00 2.00 1.86 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.54 4.23 0.00 3.31 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.86 4.37 0.00 4.22 4.34 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.65 3.71 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 0.95 0.00 0.00 109 A 8.29 4.04 1.47 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 0.00 0.00 110 Q 9.00 4.09 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 111 G 8.26 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 0.00 112 K 8.01 3.98 0.00 2.08 1.89 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 113 V 7.77 3.59 2.24 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 1.20 0.00 0.00 1.00 0.00 0.00 114 A 8.54 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 3.94 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 0.00 116 A 8.24 4.18 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 0.00 117 G 8.38 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 0.00 118 I 7.60 3.77 2.07 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 1.72 0.83 0.93 0.00 0.00 119 Q 8.11 4.04 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 120 I 7.64 3.70 2.09 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 1.01 0.00 0.00 121 L 7.80 3.83 0.00 1.77 1.92 0.93 0.94 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 0.00 122 A 8.01 4.14 1.39 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 0.00 123 K 7.89 4.37 0.00 1.78 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.61 7.81 124 K 8.65 4.71 0.00 1.74 1.80 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.51 0.00 2.22 2.42 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.12 0.00 2.02 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 2.03 2.19 0.00 127 H 8.57 4.82 0.00 3.27 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.80 4.06 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 0.00 129 T 7.94 3.81 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 1.16 0.00 0.00 130 K 8.00 3.71 0.00 1.96 1.59 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.42 7.81 131 G 8.06 3.79 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 0.00 0.00 0.00 132 I 7.60 3.70 1.99 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 1.50 0.74 0.89 0.00 0.00 133 I 7.80 3.62 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.79 0.00 0.00 134 F 7.71 4.46 0.00 3.22 3.03 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 0.00 135 A 8.23 4.21 1.46 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 0.00 136 A 8.65 4.01 1.39 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 0.00 137 M 8.13 4.11 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 3.00 0.00 138 V 7.97 4.10 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 1.20 0.00 0.00 1.04 0.00 0.00 139 E 8.32 3.99 0.00 2.17 2.11 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 2.36 2.48 0.00 140 T 7.14 3.61 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 0.76 0.00 0.00 141 Y 7.36 4.35 0.00 3.25 3.15 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 0.00 142 A 8.08 4.16 1.61 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 0.00 0.00 143 I 7.73 3.31 1.90 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 1.27 0.54 0.83 0.00 0.00 144 L 8.34 4.08 0.00 1.71 1.77 0.99 0.82 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 0.00 145 G 8.13 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 0.00 146 F 8.55 4.22 0.00 2.85 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 0.00 147 V 8.21 3.44 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 0.96 0.00 0.00 0.99 0.00 0.00 148 I 7.80 3.70 1.91 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 1.73 0.76 0.93 0.00 0.00 149 S 8.03 4.41 0.00 4.10 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 0.00 150 F 8.31 3.77 0.00 2.59 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 0.00 151 L 8.16 4.01 0.00 1.89 1.72 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.07 3.95 0.00 1.88 1.67 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.74 3.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.07 0.00 0.00 154 L 7.49 4.01 0.00 1.71 1.62 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.27 4.68 0.00 2.65 2.70 0.00 0.00 7.15 8.87 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 0.00 156 A 7.19 3.93 0.17 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