NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3915 8.2893 120.3465 55.2973 32.5548 173.3588 2 L 4.6464 7.4944 121.4217 51.6203 44.0173 174.6817 3 L 4.5020 8.2455 118.8300 54.2888 43.8744 176.5168 4 E 4.5189 7.5106 119.4152 55.4340 30.4045 176.9384 5 K 4.3965 8.5221 114.3729 57.6628 33.1094 178.5033 6 A 3.6023 7.0830 123.1773 55.5223 17.7460 177.7365 7 Y 4.3169 7.5406 112.2566 56.9218 38.2789 174.6024 8 R 4.7358 8.9280 120.4635 55.1884 33.4273 174.4504 9 I 4.2715 7.8912 119.8822 59.6625 39.4613 175.6085 10 K 4.4972 8.4775 122.2579 55.5275 34.4109 175.6790 11 K 4.7351 7.5063 119.4877 54.6141 35.3618 175.7907 12 N 4.5595 8.6377 115.3763 55.8553 38.0541 176.7385 13 A 3.8427 7.8803 123.6000 55.0675 18.1713 179.3787 14 D 4.5269 7.9857 115.5331 56.9150 40.9730 178.0531 15 F 4.5846 7.1543 115.2842 59.3540 39.1735 177.4635 16 Q 4.1699 9.0639 120.6043 59.3380 28.8032 176.9669 17 R 3.7870 8.6937 117.8132 59.8387 30.0143 178.2246 18 I 3.9825 7.9158 111.7366 65.1096 37.5411 177.7586 19 Y 4.5292 7.8912 116.8934 60.1757 37.7231 177.5172 20 K 4.2052 9.1230 122.5932 56.3474 32.2262 176.2532 21 K 4.4603 7.8604 122.3670 55.4363 34.1875 176.5820 22 G 3.9872 8.1720 105.7671 48.0788 0.0000 173.1151 23 H 4.7913 9.7359 122.5977 54.4520 30.5701 173.8834 24 S 4.3285 7.8399 120.1558 56.8798 64.2418 174.5019 25 V 4.4089 8.8413 115.5979 60.7908 35.1022 175.4357 26 A 5.2789 8.2701 135.0000 53.0858 20.7718 174.4061 27 N 4.2425 8.8272 123.5954 53.1148 37.4026 175.9391 28 R 4.4591 8.5190 112.5984 56.7836 32.4047 177.3647 29 Q 4.6872 8.0516 113.3505 54.8654 32.4434 173.9076 30 F 5.7790 10.0509 123.1233 56.5900 42.8912 173.9273 31 V 4.8004 8.8249 118.2515 59.5821 35.8746 174.9043 32 V 5.5994 8.1488 115.6525 58.9967 35.2569 173.8636 33 Y 5.0086 8.9246 122.8821 56.5623 40.3109 174.8872 34 T 5.5311 8.3772 112.1951 59.8814 73.0392 172.0240 35 C 4.7605 8.4084 120.7980 58.6811 35.5335 172.9000 36 N 4.0072 9.1301 118.0776 53.6176 35.1398 174.4817 37 N 4.2544 8.2915 119.8117 56.4400 39.1408 175.8101 38 K 4.7196 7.1697 112.4495 56.1293 33.5442 173.5439 39 E 4.7863 8.2237 120.3961 55.2733 31.2455 174.7407 40 I 4.6663 7.5773 111.4333 59.5501 39.9087 175.3551 41 D 4.5681 8.0861 121.2050 54.6280 42.7542 175.2252 42 H 4.2691 7.5123 109.8917 54.4725 30.7592 174.4474 43 F 4.4261 8.2940 119.6219 56.4041 36.6522 172.8865 44 R 4.0410 8.5558 125.4755 57.0910 30.4857 174.5375 45 L 4.4608 9.2971 126.9103 54.0788 43.2322 175.7234 46 G 4.5101 8.3075 111.1371 44.9259 0.0000 171.0861 47 I 5.2116 8.4754 120.0149 59.6552 40.8100 175.1915 48 S 4.8235 8.8591 121.8712 57.0517 67.7016 173.4111 49 V 4.7284 8.1108 121.0002 60.5563 34.9520 174.0197 50 S 4.6365 8.6241 115.2916 56.9831 63.8490 173.3564 51 K 4.4631 8.4043 119.6492 56.5592 32.8197 176.7782 52 K 4.3700 7.6307 117.6953 56.5862 33.2107 176.5971 53 L 4.0084 6.3967 117.1764 56.1757 44.2311 179.6547 54 G 4.0708 7.3439 112.4214 46.6640 0.0000 175.0356 55 N 4.7489 8.4175 127.5309 51.4876 41.2783 174.0986 56 A 4.1236 8.3329 120.3660 54.7508 18.3310 179.9526 57 V 3.6172 7.7480 117.4844 64.4990 31.4700 178.4983 58 L 4.0555 7.7895 120.2102 57.3427 41.5607 178.7904 59 R 4.2201 7.8679 112.5375 57.6171 29.0799 177.4262 60 N 4.6049 7.6780 118.1067 55.6102 39.3127 176.6507 61 K 4.0988 7.7766 120.6713 60.0664 32.5544 178.7342 62 I 3.6250 7.6317 118.9921 63.6399 36.6037 178.3164 63 K 4.1742 7.7235 119.0261 59.3588 32.4088 178.3943 64 R 4.1570 9.4726 117.6873 59.6080 29.4978 178.5592 65 A 3.9216 8.4491 120.4392 55.6045 18.3828 179.7843 66 I 3.8241 7.1209 116.3403 64.2586 37.2993 178.2646 67 R 4.2720 8.9392 117.6976 57.8761 29.9735 177.4829 68 E 4.3747 8.1934 118.7523 57.9786 30.4003 176.3851 69 N 4.5436 7.8680 116.9171 55.3993 39.1037 176.6176 70 F 4.2091 8.3711 119.7030 60.6261 38.9455 178.1137 71 K 3.9820 8.1059 118.1162 59.6968 32.1660 178.7547 72 V 3.8478 8.4490 113.0144 64.5114 31.6019 177.6111 73 H 4.2170 7.9939 113.0011 56.0825 28.4615 176.8161 74 K 3.6126 7.7893 123.5021 59.2888 32.0469 177.2174 75 S 4.6985 7.7077 109.8879 58.3919 61.9790 173.6850 76 H 4.9132 8.8659 116.9412 55.9377 30.6097 173.9810 77 I 5.2513 7.6934 119.6189 59.5396 38.0280 175.1629 78 L 5.0477 8.2383 124.9301 53.3785 43.4645 175.8242 79 A 4.3385 8.9047 122.1294 50.1319 18.7231 178.3228 80 K 5.3195 9.3854 135.0000 60.2734 33.7678 175.8477 81 D 4.2665 7.4685 113.3364 56.3415 38.5220 173.1267 82 I 4.9575 8.1866 124.9572 59.2987 41.3781 174.1966 83 I 4.8598 8.4753 128.2280 60.2981 42.4225 174.3649 84 V 4.5914 8.3462 116.3367 60.0060 35.1787 174.7332 85 I 5.2977 9.4642 127.2644 58.7291 40.0914 174.8464 86 A 4.8411 8.5677 127.3631 51.2143 19.0020 176.8440 87 R 3.8070 8.9398 122.9075 58.0670 29.4190 177.9452 88 Q 5.0800 7.6980 127.9697 56.1279 29.7241 173.6929 89 P 4.6270 0.0000 0.0000 63.5688 31.5829 176.8677 90 A 4.2528 7.7656 120.4508 53.2164 18.2569 179.3557 91 K 3.9611 7.8570 117.9578 59.8211 32.8641 178.0652 92 D 4.3962 7.6323 118.2132 55.8767 39.4496 176.5739 93 M 4.2612 7.4537 119.1433 55.3365 32.5206 174.5783 94 T 4.6927 7.7611 108.8633 59.5508 72.0064 174.5074 95 T 3.6855 8.4671 116.8609 65.4511 68.2103 175.3378 96 L 4.3357 7.5213 121.3781 57.0464 43.1445 177.7926 97 Q 4.0785 7.4549 116.6795 58.9994 28.8564 178.1293 98 I 3.4575 8.3767 123.2563 64.0205 37.2683 178.3684 99 Q 3.9917 7.8760 117.9282 58.7421 28.4526 177.5822 100 N 4.6588 8.3584 116.3005 54.6472 38.3848 177.4701 101 S 4.0925 7.6498 117.5747 61.5675 62.7966 176.3538 102 L 4.3089 7.5614 119.7933 57.1162 41.0812 178.5913 103 E 4.3651 7.4645 116.7077 58.5505 29.5582 176.1553 104 H 4.7415 8.7869 117.9581 55.2489 32.9538 175.2098 105 V 3.7060 8.1946 118.2735 65.2721 31.2795 178.3263 106 L 3.8761 7.9749 120.9879 57.2949 41.8589 178.5002 107 K 4.2617 7.7035 117.5862 58.9279 32.0916 177.8130 108 I 4.1557 7.6966 118.6504 63.2275 37.8078 177.0543 109 A 4.0776 7.7052 121.1946 53.3375 18.0957 178.1721 110 K 4.0214 7.8079 115.5700 57.2417 31.4604 176.3492 111 V 4.1923 7.5943 108.0410 60.6994 31.5933 175.1337 112 F 5.6458 7.8216 118.3055 55.5984 41.5122 174.8996 113 N 4.5470 8.3969 123.5994 56.6009 38.7593 175.1334 114 K 4.4943 8.1774 113.8823 56.3789 40.1956 174.9067 115 K 3.1549 8.0379 120.6487 56.3633 29.8550 175.6524 116 I 3.8519 7.3875 125.5470 61.0976 37.8862 176.7841 117 K 4.1246 8.3174 120.4595 56.6797 32.1278 176.7040 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 8.29 4.39 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 L 7.49 4.65 0.00 1.78 1.61 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.25 4.50 0.00 1.52 1.51 0.28 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.51 4.52 0.00 1.81 1.52 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 2.16 2.15 0.00 5 K 8.52 4.40 0.00 2.00 2.06 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81 6 A 7.08 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.54 4.32 0.00 1.94 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 0.00 0.00 0.00 0.00 8 R 8.93 4.74 0.00 1.72 1.79 0.00 2.91 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 9 I 7.89 4.27 1.33 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.56 -0.41 0.00 0.00 10 K 8.48 4.50 0.00 1.62 1.73 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.33 7.81 11 K 7.51 4.74 0.00 1.67 1.69 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.28 7.81 12 N 8.64 4.56 0.00 3.01 3.08 0.00 0.00 5.83 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 13 A 7.88 3.84 1.35 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 0.00 0.00 14 D 7.99 4.53 0.00 2.42 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.15 4.58 0.00 3.09 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 16 Q 9.06 4.17 0.00 2.03 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 17 R 8.69 3.79 0.00 1.90 1.94 0.00 3.39 0.00 0.00 3.25 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 18 I 7.92 3.98 2.27 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.74 1.09 0.00 0.00 19 Y 7.89 4.53 0.00 3.06 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 20 K 9.12 4.21 0.00 2.00 1.80 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.63 7.81 21 K 7.86 4.46 0.00 1.72 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.46 7.81 22 G 8.17 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 23 H 9.74 4.79 0.00 3.16 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.84 4.33 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.84 4.41 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 0.69 0.00 0.00 1.02 0.00 0.00 26 A 8.27 5.28 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 27 N 8.83 4.24 0.00 2.50 2.65 0.00 0.00 6.81 7.60 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 28 R 8.52 4.46 0.00 1.88 2.01 0.00 2.96 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 29 Q 8.05 4.69 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 30 F 10.05 5.78 0.00 2.86 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 31 V 8.82 4.80 2.41 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 0.82 0.00 0.00 1.14 0.00 0.00 32 V 8.15 5.60 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 0.84 0.00 0.00 0.94 0.00 0.00 33 Y 8.92 5.01 0.00 3.03 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 34 T 8.38 5.53 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 35 C 8.41 4.76 0.00 3.01 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 36 N 9.13 4.01 0.00 2.92 2.91 0.00 0.00 6.85 6.92 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 37 N 8.29 4.25 0.00 2.69 2.93 0.00 0.00 6.94 7.61 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 38 K 7.17 4.72 0.00 1.67 1.67 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.49 7.81 39 E 8.22 4.79 0.00 2.01 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 0.00 2.17 2.26 0.00 40 I 7.58 4.67 1.82 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 1.37 1.19 0.91 0.00 0.00 41 D 8.09 4.57 0.00 2.41 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 0.00 0.00 0.00 0.00 42 H 7.51 4.27 0.00 3.04 2.95 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.29 4.43 0.00 2.96 3.29 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 44 R 8.56 4.04 0.00 1.75 1.88 0.00 3.06 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 45 L 9.30 4.46 0.00 1.74 1.20 0.37 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.31 4.51 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 47 I 8.48 5.21 1.97 0.00 0.00 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 1.51 0.84 1.00 0.00 0.00 48 S 8.86 4.82 0.00 3.64 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.11 4.73 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.98 0.00 0.00 50 S 8.62 4.64 0.00 4.19 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 51 K 8.40 4.46 0.00 1.88 1.87 0.00 1.58 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.43 7.81 52 K 7.63 4.37 0.00 1.74 2.09 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.38 7.81 53 L 6.40 4.01 0.00 1.59 1.61 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.34 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.42 4.75 0.00 2.80 2.78 0.00 0.00 6.78 8.40 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 56 A 8.33 4.12 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 57 V 7.75 3.62 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 0.81 0.00 0.00 0.93 0.00 0.00 58 L 7.79 4.06 0.00 1.89 1.73 0.94 0.86 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 59 R 7.87 4.22 0.00 1.97 2.06 0.00 3.02 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 60 N 7.68 4.60 0.00 2.92 2.88 0.00 0.00 6.50 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 61 K 7.78 4.10 0.00 2.05 1.79 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.53 7.81 62 I 7.63 3.62 1.97 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 1.34 0.57 0.99 0.00 0.00 63 K 7.72 4.17 0.00 1.99 1.89 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.71 7.81 64 R 9.47 4.16 0.00 1.86 1.95 0.00 3.17 0.00 0.00 3.18 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 65 A 8.45 3.92 1.29 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 66 I 7.12 3.82 2.29 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 1.90 0.46 1.23 0.00 0.00 67 R 8.94 4.27 0.00 1.87 2.04 0.00 3.36 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 68 E 8.19 4.37 0.00 2.11 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 2.27 2.45 0.00 69 N 7.87 4.54 0.00 2.99 2.52 0.00 0.00 7.02 7.59 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 70 F 8.37 4.21 0.00 3.29 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 71 K 8.11 3.98 0.00 1.99 1.89 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.65 7.81 72 V 8.45 3.85 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 0.85 0.00 0.00 0.73 0.00 0.00 73 H 7.99 4.22 0.00 3.27 3.56 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.79 3.61 0.00 1.96 2.06 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.62 1.69 7.81 75 S 7.71 4.70 0.00 4.04 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 76 H 8.87 4.91 0.00 3.63 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.69 5.25 1.39 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 1.02 0.70 0.49 0.00 0.00 78 L 8.24 5.05 0.00 1.69 1.71 1.15 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.90 4.34 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 80 K 9.39 5.32 0.00 2.25 2.17 0.00 2.03 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.24 7.81 81 D 7.47 4.27 0.00 3.02 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.19 4.96 1.90 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.85 0.96 0.00 0.00 83 I 8.48 4.86 2.05 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 1.25 0.77 1.12 0.00 0.00 84 V 8.35 4.59 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 0.86 0.00 0.00 1.22 0.00 0.00 85 I 9.46 5.30 1.82 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 1.17 0.30 0.89 0.00 0.00 86 A 8.57 4.84 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 87 R 8.94 3.81 0.00 1.92 2.00 0.00 3.47 0.00 0.00 3.19 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 88 Q 7.70 5.08 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.03 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 89 P 0.00 4.63 0.00 2.30 2.27 0.00 3.77 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 2.08 2.04 0.00 90 A 7.77 4.25 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 91 K 7.86 3.96 0.00 1.91 1.95 0.00 1.58 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.49 7.81 92 D 7.63 4.40 0.00 2.78 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 93 M 7.45 4.26 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 94 T 7.76 4.69 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 1.23 0.00 0.00 95 T 8.47 3.69 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 96 L 7.52 4.34 0.00 1.61 1.64 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 7.45 4.08 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.45 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 98 I 8.38 3.46 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.67 0.00 0.00 99 Q 7.88 3.99 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 100 N 8.36 4.66 0.00 2.81 2.84 0.00 0.00 7.00 7.38 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 0.00 101 S 7.65 4.09 0.00 3.80 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 0.00 102 L 7.56 4.31 0.00 1.73 1.59 0.97 0.52 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 0.00 103 E 7.46 4.37 0.00 2.12 2.03 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 2.37 2.32 0.00 104 H 8.79 4.74 0.00 3.14 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.19 3.71 2.33 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 0.92 0.00 0.00 1.02 0.00 0.00 106 L 7.97 3.88 0.00 1.65 1.69 0.09 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.70 4.26 0.00 1.93 2.12 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.54 7.81 108 I 7.70 4.16 2.09 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 1.44 0.89 0.95 0.00 0.00 109 A 7.71 4.08 1.35 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 0.00 0.00 110 K 7.81 4.02 0.00 1.92 2.09 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.45 7.81 111 V 7.59 4.19 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 0.72 0.00 0.00 0.57 0.00 0.00 112 F 7.82 5.65 0.00 2.99 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 0.00 113 N 8.40 4.55 0.00 2.78 2.95 0.00 0.00 6.88 7.49 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 0.00 114 K 8.18 4.49 0.00 1.70 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 115 K 8.04 3.15 0.00 1.72 2.03 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.64 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.54 1.14 7.81 116 I 7.39 3.85 1.79 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 1.36 0.59 0.86 0.00 0.00 117 K 8.32 4.12 0.00 1.69 1.67 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81