NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 M 4.3995 8.1514 120.3579 55.1067 33.2553 175.1640 18 G 3.7718 8.5839 113.4696 47.4465 0.0000 173.6956 19 L 4.1253 8.0111 122.5616 57.4514 42.7468 177.0966 20 E 3.9308 8.2311 118.5692 59.4391 29.4317 178.2408 21 D 4.3474 8.8387 120.0803 56.9407 41.4024 178.0078 22 K 3.8112 8.9390 120.2210 59.7336 31.9941 179.4299 23 V 3.5385 8.0159 118.4883 65.8460 31.0545 178.1485 24 S 3.7577 7.9210 113.9359 61.4363 62.7281 176.4686 25 K 4.3757 8.2010 123.8518 58.5602 31.2773 178.8641 26 Q 3.9701 7.9715 119.5950 59.3269 28.8310 178.5958 27 L 4.0389 7.9016 119.9318 57.7658 41.5093 179.3184 28 E 4.1486 8.9725 119.2844 59.4085 29.1928 179.5000 29 S 4.2335 8.6162 113.7643 60.8297 62.9791 175.7147 30 K 4.4761 7.5260 118.7516 54.7523 32.2398 176.4398 31 G 4.0193 8.2192 107.4047 46.4378 0.0000 174.1830 32 I 4.0871 8.0693 120.6788 60.0667 37.6290 177.0065 33 K 4.1153 8.5877 128.0573 55.1400 30.5540 175.5040 34 F 4.9398 7.7273 119.8137 54.6681 40.4919 175.1174 35 E 4.6522 8.8644 119.6347 54.6547 31.5049 175.0473 36 Y 4.5913 8.6027 124.6795 57.7702 39.9862 175.5482 37 E 3.6325 8.0816 128.6337 57.4754 27.2935 175.7965 38 E 4.1291 8.2576 121.7840 57.3958 30.8574 175.6958 39 W 4.7907 7.9017 116.2771 54.9028 31.0687 175.4831 40 K 4.6387 8.6147 119.7581 54.6011 34.5753 175.9611 41 V 4.2442 8.3375 122.5203 60.6256 32.1707 173.4768 42 P 4.5644 0.0000 0.0000 62.1886 31.8012 175.3207 43 Y 4.9351 7.9680 120.2935 55.2264 41.1616 174.1161 44 S 4.4612 8.5974 114.9010 56.3242 65.0645 172.9455 45 N 4.7060 8.5783 123.5389 52.1312 39.2215 173.9889 46 N 4.6621 8.6791 124.3439 51.8228 37.3145 174.7233 47 Q 4.2956 8.3889 122.4765 55.2105 29.8697 176.3813 48 Q 4.4519 8.3892 120.0839 54.2682 29.1868 174.4531 49 N 4.7097 8.4105 120.1205 52.3158 39.7241 174.7025 50 Y 4.3134 8.6538 120.6049 56.4301 39.0494 175.1582 51 S 4.6890 8.4041 121.7908 56.6782 64.4961 174.1329 52 S 4.4469 8.4117 120.0587 57.8895 63.9149 172.9267 53 H 5.1167 8.4307 119.8246 54.4153 32.8064 172.0629 54 T 4.7724 8.2785 108.9911 60.2081 71.4065 172.8171 55 Y 4.7180 8.3489 122.5591 56.3865 41.3699 174.3484 56 T 4.2434 8.0555 124.0315 60.9167 69.7209 172.7418 57 P 4.4018 0.0000 0.0000 61.8162 32.2073 176.4725 58 D 4.2118 8.4207 119.4123 56.3120 41.3591 177.4849 59 F 4.8386 8.6528 116.9140 55.3934 42.6187 173.5950 60 L 4.7311 8.4394 126.1157 52.8528 42.8713 176.0784 61 L 4.2568 8.4602 127.0855 53.7992 42.2431 176.9443 62 P 4.2678 0.0000 0.0000 65.7307 31.5800 177.1815 63 N 4.6250 8.1365 113.8547 52.8629 37.1667 176.5914 64 G 3.9318 8.0784 108.9132 45.6310 0.0000 174.6389 65 I 3.9356 7.3981 121.0076 61.4014 38.5239 175.0383 66 F 5.2378 9.2934 124.3876 55.7635 41.9266 174.7747 67 V 5.0527 9.4554 122.4120 61.1184 34.6242 173.5722 68 E 5.1509 9.5852 129.0820 54.5168 31.8388 174.8743 69 T 4.5413 9.4377 118.5034 61.4388 70.3521 174.3590 70 K 4.2078 9.1108 125.4022 55.5808 35.3452 175.6181 71 G 4.1158 9.2819 117.4618 45.6285 0.0000 172.5230 72 L 4.7776 7.6511 123.1740 52.5734 43.6931 176.8366 73 W 4.9042 9.0903 135.0000 54.4925 30.6674 175.1806 74 E 4.0662 8.1558 123.5982 55.4021 31.1741 177.0467 75 S 3.6567 8.3150 114.1967 61.4673 62.2748 175.8985 76 D 4.2010 7.8473 121.0694 57.3647 40.7064 177.7145 77 D 4.3250 7.9678 117.8057 57.8567 41.0380 178.3751 78 R 3.1754 7.2773 118.0550 58.6914 29.7845 178.7538 79 K 3.7850 7.9112 118.0110 59.8255 32.2393 178.9211 80 K 3.6911 8.1326 119.5924 59.9320 31.9312 177.8756 81 H 3.7056 8.1028 118.1266 59.3108 29.8582 176.8870 82 L 4.0411 8.2033 120.6089 58.0682 41.4488 179.8237 83 L 4.1329 8.0603 118.6922 58.0728 41.7080 179.5833 84 I 3.6699 7.7269 119.5832 64.3255 36.6632 178.8529 85 R 3.8715 7.6488 118.1673 59.2450 30.0934 178.2692 86 E 4.1244 7.9582 116.8828 59.9376 29.6970 179.5531 87 Q 4.1864 8.1116 115.5052 57.6739 30.3568 176.2199 88 H 5.6031 8.1333 115.8445 52.7911 29.2792 172.4967 89 P 4.4272 0.0000 0.0000 64.4193 31.9378 177.6717 90 E 4.2554 8.0798 116.7614 57.0187 30.3890 175.6907 91 L 4.8257 7.7378 120.1168 53.2394 43.5276 175.5162 92 D 4.7931 8.6736 122.1523 52.9748 42.6223 174.7434 93 I 5.0630 8.3412 126.9986 59.6984 39.5388 175.4380 94 R 4.8482 9.3620 126.0429 54.3100 34.0580 174.8017 95 I 4.8349 8.7176 121.5142 59.5568 40.2730 174.7589 96 V 4.6071 8.8140 127.3232 61.4168 33.0563 174.8932 97 F 5.8017 9.8905 126.7989 55.6554 41.5239 176.8622 98 S 4.2133 8.8911 115.9101 61.0330 64.4316 174.0636 99 S 4.6782 7.9293 114.4935 56.2734 62.8003 173.8880 100 S 3.6799 9.0066 120.6920 59.9935 62.9932 177.3620 101 R 3.9801 7.1750 119.0081 58.0519 30.4364 177.1860 102 T 3.6095 7.7722 115.8859 63.6470 68.8355 173.2816 103 K 4.6178 8.0668 124.3958 55.2720 33.2488 176.6446 104 L 4.0700 8.6624 124.8925 57.7156 41.9165 177.2613 105 Y 4.9074 7.4433 114.6121 55.3333 41.3893 174.9939 106 K 3.9331 8.8806 124.3733 58.5521 32.4797 176.1451 107 G 4.0554 8.9681 114.2545 45.5125 0.0000 173.8068 108 S 4.3127 7.9212 114.0062 57.7003 62.7941 172.1507 109 P 4.5479 0.0000 0.0000 63.5797 32.1673 175.7315 110 T 4.7482 7.9892 117.8271 62.1348 70.1929 174.5945 111 S 5.0199 10.0741 122.4733 57.2252 66.4308 174.9983 112 Y 4.5036 8.3948 119.4245 61.1407 37.2404 179.1388 113 G 2.8846 8.0022 106.6047 47.6054 0.0000 175.2449 114 E 4.9102 8.2690 123.2156 58.6162 29.5226 179.3161 115 F 4.2899 8.4097 120.2349 61.7383 39.2568 177.1246 116 C 4.3310 8.2066 116.2618 62.7138 27.8930 175.7345 117 E 4.1086 8.6472 120.6303 59.3550 28.8760 178.8691 118 K 3.8425 8.1974 118.6376 59.9908 32.1799 177.8113 119 H 4.7147 7.7632 113.7767 54.5930 30.6030 176.0041 120 G 4.0426 7.8805 107.5988 46.9498 0.0000 173.7130 121 I 4.6089 8.3822 117.3755 59.3789 40.2059 177.4387 122 K 4.4733 8.6618 126.8676 56.1390 33.0609 176.0609 123 F 6.2948 8.7947 118.5533 55.1014 41.3199 172.9148 124 A 4.6009 8.6231 118.8092 51.3855 22.4986 174.5255 125 D 4.9882 8.5719 118.6783 54.0194 42.4645 177.4897 126 K 4.0898 10.0650 127.7736 57.6919 31.7646 176.0031 127 L 4.6760 7.1728 114.0334 52.4014 45.6231 176.0902 128 I 3.3336 8.0246 122.1986 60.5806 37.4061 175.1891 129 P 3.9905 0.0000 0.0000 62.0961 32.7524 177.0561 130 A 3.9332 8.4956 123.8628 55.4419 18.0464 179.4521 131 E 3.9144 8.1597 115.3411 59.7378 29.8627 179.0006 132 W 4.9374 8.3265 119.2153 59.4721 28.9565 178.4248 133 I 3.8012 7.4260 117.7838 64.3807 36.6892 177.9807 134 K 4.2706 8.0120 115.6824 56.1798 32.2213 177.2566 135 E 4.1661 7.7758 121.1268 54.9491 30.0817 174.6276 136 P 4.3623 0.0000 0.0000 62.8753 31.5248 175.9255 137 K 4.2765 8.6225 124.3607 57.1433 32.7196 175.6438 138 K 4.7308 8.3808 123.3396 55.0136 35.6359 175.8777 139 E 4.1792 9.0172 122.7831 56.7619 30.3423 176.5483 140 V 4.2835 8.3316 122.6866 60.1575 33.7384 175.6049 141 P 4.7109 0.0000 0.0000 62.7523 27.7507 176.4827 142 F 3.9747 8.3610 124.8935 61.4812 39.1568 176.3639 143 D 4.6588 8.3193 117.2007 57.5281 40.6748 178.6187 144 R 4.1509 7.9005 117.2903 57.2571 30.3171 176.7063 145 L 4.4682 7.6646 118.7376 53.2276 43.2656 175.9107 146 K 4.5381 8.1712 118.3963 54.5510 34.5439 177.0478 147 R 4.3050 8.5152 120.7715 55.1522 30.5872 176.6497 148 K 4.1547 8.4321 116.7972 57.2672 32.7862 176.8499 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 17 M 8.15 4.40 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 18 G 8.58 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.01 4.13 0.00 1.77 1.69 0.91 0.79 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 20 E 8.23 3.93 0.00 2.10 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 0.00 2.55 2.42 0.00 21 D 8.84 4.35 0.00 2.76 2.88 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 22 K 8.94 3.81 0.00 1.87 1.86 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.60 7.81 23 V 8.02 3.54 2.23 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 0.95 0.00 0.00 0.97 0.00 0.00 24 S 7.92 3.76 0.00 4.22 4.17 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 25 K 8.20 4.38 0.00 2.01 1.92 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.47 1.54 7.81 26 Q 7.97 3.97 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 27 L 7.90 4.04 0.00 1.44 1.59 0.15 0.71 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 28 E 8.97 4.15 0.00 2.19 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 0.00 2.51 2.82 0.00 29 S 8.62 4.23 0.00 3.98 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 30 K 7.53 4.48 0.00 1.81 1.89 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.66 7.81 31 G 8.22 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 32 I 8.07 4.09 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 1.06 0.00 0.00 33 K 8.59 4.12 0.00 1.72 1.75 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.35 7.81 34 F 7.73 4.94 0.00 3.26 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 35 E 8.86 4.65 0.00 2.15 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 2.33 2.35 0.00 36 Y 8.60 4.59 0.00 3.05 2.95 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 37 E 8.08 3.63 0.00 1.85 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 1.80 1.47 0.00 38 E 8.26 4.13 0.00 1.94 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 2.13 1.47 0.00 39 W 7.90 4.79 0.00 3.34 3.17 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 40 K 8.61 4.64 0.00 1.76 1.73 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 41 V 8.34 4.24 2.18 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 0.89 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.56 0.00 2.12 1.98 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 43 Y 7.97 4.94 0.00 3.02 2.87 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 44 S 8.60 4.46 0.00 3.94 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 45 N 8.58 4.71 0.00 2.88 2.81 0.00 0.00 7.14 7.79 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 46 N 8.68 4.66 0.00 2.88 2.87 0.00 0.00 6.31 7.39 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 47 Q 8.39 4.30 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 48 Q 8.39 4.45 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 49 N 8.41 4.71 0.00 2.70 2.76 0.00 0.00 7.05 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 50 Y 8.65 4.31 0.00 2.88 2.91 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 51 S 8.40 4.69 0.00 3.76 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 52 S 8.41 4.45 0.00 3.98 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 53 H 8.43 5.12 0.00 3.12 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.28 4.77 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 1.24 0.00 0.00 55 Y 8.35 4.72 0.00 2.68 2.76 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 56 T 8.06 4.24 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 1.13 0.00 0.00 57 P 0.00 4.40 0.00 2.24 2.06 0.00 3.61 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 58 D 8.42 4.21 0.00 2.60 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 0.00 0.00 0.00 59 F 8.65 4.84 0.00 3.10 2.88 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 60 L 8.44 4.73 0.00 1.41 1.54 -0.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.46 4.26 0.00 1.82 1.61 1.02 1.21 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 62 P 0.00 4.27 0.00 2.03 2.12 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 63 N 8.14 4.62 0.00 2.91 3.05 0.00 0.00 6.37 7.03 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 64 G 8.08 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.40 3.94 1.93 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 1.15 0.77 0.84 0.00 0.00 66 F 9.29 5.24 0.00 3.24 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 67 V 9.46 5.05 2.34 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 1.26 0.00 0.00 1.25 0.00 0.00 68 E 9.59 5.15 0.00 2.09 1.94 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 2.35 2.26 0.00 69 T 9.44 4.54 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 1.54 0.00 0.00 70 K 9.11 4.21 0.00 1.67 1.49 0.00 2.00 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.96 1.66 7.81 71 G 9.28 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.65 4.78 0.00 1.71 1.68 1.05 0.98 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 73 W 9.09 4.90 0.00 2.52 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 74 E 8.16 4.07 0.00 1.93 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 2.43 2.33 0.00 75 S 8.32 3.66 0.00 3.89 3.85 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 76 D 7.85 4.20 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 7.97 4.33 0.00 2.68 2.50 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 78 R 7.28 3.18 0.00 1.29 0.94 0.00 2.21 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.55 0.00 79 K 7.91 3.79 0.00 1.82 1.83 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.55 7.81 80 K 8.13 3.69 0.00 1.74 1.96 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.06 1.33 7.81 81 H 8.10 3.71 0.00 3.54 3.53 0.00 5.67 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 82 L 8.20 4.04 0.00 1.96 1.78 1.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.06 4.13 0.00 1.82 1.69 0.88 1.13 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 84 I 7.73 3.67 1.79 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.83 0.00 0.00 85 R 7.65 3.87 0.00 1.99 2.00 0.00 3.37 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 86 E 7.96 4.12 0.00 2.07 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 0.00 2.36 2.57 0.00 87 Q 8.11 4.19 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.31 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 88 H 8.13 5.60 0.00 3.30 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.43 0.00 2.17 2.17 0.00 3.73 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 1.98 1.94 0.00 90 E 8.08 4.26 0.00 2.14 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 0.00 2.34 2.28 0.00 91 L 7.74 4.83 0.00 1.57 1.48 0.56 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.67 4.79 0.00 2.73 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 93 I 8.34 5.06 1.92 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 1.20 0.71 1.10 0.00 0.00 94 R 9.36 4.85 0.00 1.45 1.53 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.25 0.00 95 I 8.72 4.83 1.21 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.64 -0.51 0.00 0.00 96 V 8.81 4.61 2.10 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 1.06 0.00 0.00 0.91 0.00 0.00 97 F 9.89 5.80 0.00 3.23 2.88 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 98 S 8.89 4.21 0.00 3.84 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 99 S 7.93 4.68 0.00 3.74 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 0.00 100 S 9.01 3.68 0.00 4.04 4.59 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 0.00 101 R 7.18 3.98 0.00 1.80 1.96 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 102 T 7.77 3.61 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 0.70 0.00 0.00 103 K 8.07 4.62 0.00 1.68 1.70 0.00 1.93 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 1.40 7.81 104 L 8.66 4.07 0.00 1.44 1.31 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.44 4.91 0.00 2.98 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 0.00 106 K 8.88 3.93 0.00 1.74 1.80 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.42 7.81 107 G 8.97 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 0.00 108 S 7.92 4.31 0.00 3.88 4.03 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 0.00 109 P 0.00 4.55 0.00 2.24 2.16 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 110 T 7.99 4.75 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 1.33 0.00 0.00 111 S 10.07 5.02 0.00 4.24 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 0.00 112 Y 8.39 4.50 0.00 2.33 1.69 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 0.00 113 G 8.00 2.88 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 0.00 0.00 0.00 114 E 8.27 4.91 0.00 2.11 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 2.49 2.25 0.00 115 F 8.41 4.29 0.00 3.19 3.41 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 0.00 116 C 8.21 4.33 0.00 2.97 3.37 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 0.00 117 E 8.65 4.11 0.00 2.15 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 2.71 2.87 0.00 118 K 8.20 3.84 0.00 1.85 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.51 7.81 119 H 7.76 4.71 0.00 2.87 3.21 0.00 6.05 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.88 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.38 4.61 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.98 0.00 0.00 122 K 8.66 4.47 0.00 1.40 1.41 0.00 1.32 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.36 7.81 123 F 8.79 6.29 0.00 3.04 2.99 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 0.00 124 A 8.62 4.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.57 4.99 0.00 2.59 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 10.06 4.09 0.00 1.70 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.40 7.81 127 L 7.17 4.68 0.00 1.44 1.36 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.02 3.33 1.72 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.30 0.92 0.00 0.00 129 P 0.00 3.99 0.00 1.00 1.50 0.00 2.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.48 0.00 130 A 8.50 3.93 1.27 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 0.00 0.00 131 E 8.16 3.91 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 132 W 8.33 4.94 0.00 3.48 3.23 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 0.00 133 I 7.43 3.80 1.99 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 1.54 0.70 0.91 0.00 0.00 134 K 8.01 4.27 0.00 1.89 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.62 7.81 135 E 7.78 4.17 0.00 2.26 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 136 P 0.00 4.36 0.00 2.17 2.09 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 137 K 8.62 4.28 0.00 1.79 1.79 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 138 K 8.38 4.73 0.00 1.74 1.70 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.42 7.81 139 E 9.02 4.18 0.00 1.91 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 2.35 2.30 0.00 140 V 8.33 4.28 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 0.30 0.00 0.00 0.92 0.00 0.00 141 P 0.00 4.71 0.00 2.30 2.21 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 142 F 8.36 3.97 0.00 3.23 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 0.00 143 D 8.32 4.66 0.00 2.69 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 7.90 4.15 0.00 1.98 2.01 0.00 3.33 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 145 L 7.66 4.47 0.00 1.74 1.61 0.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.17 4.54 0.00 1.70 1.71 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.40 7.81 147 R 8.52 4.31 0.00 1.97 2.01 0.00 3.07 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 148 K 8.43 4.15 0.00 1.89 1.83 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81