NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1951 8.1849 122.4765 55.1177 43.1887 175.8459 3 T 4.2625 8.2781 122.5655 61.6121 70.2602 172.6073 4 S 4.6824 9.1758 122.2614 57.1962 64.9307 174.2189 5 C 4.9555 8.3367 121.9831 53.9657 38.1276 172.2589 6 P 4.4175 0.0000 0.0000 61.7743 31.5951 174.1579 7 P 4.5102 0.0000 0.0000 64.3759 31.5667 176.7841 8 L 3.9030 8.7774 119.4804 54.4799 39.9752 174.3467 9 W 4.7745 7.7209 117.0910 55.7661 31.4385 175.3086 10 T 4.8174 9.0836 114.2853 60.9203 70.6282 172.4892 11 G 4.5464 8.8045 113.6155 44.4319 0.0000 172.0648 12 F 4.5266 8.9239 124.6802 57.5467 42.4250 174.4523 13 N 3.6238 9.1443 125.3404 54.1734 36.0045 175.1859 14 G 3.8943 8.0457 105.9528 44.8684 0.0000 174.0116 15 K 4.4099 7.7091 118.8002 54.5668 34.7180 174.0685 16 C 5.3307 7.9840 118.1420 55.2395 43.0068 172.8571 17 F 5.9674 9.6282 122.6082 55.8267 42.1762 174.4766 18 R 4.4670 8.6958 121.7378 54.1633 33.3399 173.6071 19 L 4.4642 8.1079 128.0968 54.4834 42.8559 175.4798 20 F 4.4145 8.7708 125.8939 56.3647 40.5122 176.6441 21 H 4.4814 9.0633 119.2338 56.2674 29.3668 174.7709 22 N 4.9024 8.1556 117.6694 51.2261 38.1630 174.4274 23 H 4.5543 9.2658 120.8871 56.5647 29.2992 174.7110 24 L 5.0765 9.0852 122.5101 52.5458 46.4136 175.9390 25 N 5.9405 8.5186 118.2785 52.0122 39.1335 175.8533 26 F 3.1888 8.9674 120.1810 61.3379 39.2222 176.3861 27 D 4.3406 8.2538 117.7541 57.8651 40.7200 178.8639 28 N 4.3461 8.0496 115.6376 55.7983 38.4012 177.3124 29 A 3.0658 7.9646 122.9868 54.6880 18.3622 179.2160 30 E 3.6390 7.6423 117.8538 59.2611 29.4415 178.4370 31 N 4.1359 8.0896 116.0108 56.6918 39.4228 176.0532 32 A 3.9926 8.1615 122.4340 55.6406 18.4863 179.0508 33 C 4.6454 8.0053 114.5946 60.1073 40.1125 175.8646 34 R 4.1278 7.5872 116.6919 57.5340 29.5996 178.1544 35 Q 3.9629 7.5253 118.2316 57.3021 29.3827 176.3049 36 F 4.6523 7.2676 118.7987 57.5254 40.5309 175.5611 37 G 4.1154 8.2776 107.5451 45.3862 0.0000 170.8668 38 L 4.9064 8.7121 120.5954 53.1768 44.9740 175.8878 39 A 5.3323 8.5423 127.0362 49.6575 22.3912 175.8294 40 S 4.2863 8.7419 114.3034 58.0351 63.9684 175.2242 41 C 3.9592 8.8888 120.5067 63.3533 28.0052 175.5624 42 S 4.1242 7.2893 114.9724 61.2239 62.5345 174.9151 43 G 3.8774 7.9630 108.4151 45.8170 0.0000 174.2239 44 D 4.4513 8.1307 121.0994 53.5480 41.4792 175.2605 45 E 4.2347 8.7586 125.0888 56.5681 30.1320 175.9353 46 L 4.6311 8.4671 125.8603 56.0638 44.0249 175.9239 47 A 4.4644 7.2829 117.9184 51.8313 22.4727 175.0546 48 T 4.9965 8.4327 114.7187 61.5410 72.2478 174.7325 49 G 4.0330 8.9826 112.1574 47.1269 0.0000 171.8543 50 H 5.0685 9.0086 116.0230 54.0007 34.0374 173.2803 51 L 4.6452 8.8865 119.8423 55.1313 42.1228 177.6944 52 A 4.3895 9.1626 124.9788 52.6919 19.3808 176.9917 53 S 3.5679 8.3642 115.4632 55.8430 65.4015 173.7417 54 I 4.3798 5.4200 121.0713 60.1090 39.9470 175.1744 55 H 5.1627 8.3361 120.4093 54.3349 30.3634 173.4105 56 S 4.4053 7.1585 113.0433 56.4945 65.8203 176.5317 57 A 3.9534 8.1660 124.0742 55.5480 17.9285 179.9424 58 E 3.8932 8.0281 116.1557 59.7628 29.6886 179.0651 59 S 3.8704 7.9621 115.0922 62.0083 62.9893 176.5362 60 Q 3.8269 7.8949 121.3794 59.4949 28.6355 178.7740 61 A 3.8668 8.0108 121.6717 54.8925 18.3491 179.1801 62 F 3.8683 7.7436 119.5193 61.1168 39.4724 177.1317 63 L 3.2206 7.7258 118.5727 57.9600 41.1054 179.8500 64 T 3.6197 7.5244 115.2995 66.6860 68.3441 176.2003 65 E 3.8237 7.8862 121.0661 58.7831 29.5442 178.1875 66 L 3.6003 7.5795 120.9292 58.2392 41.4929 179.2869 67 V 3.3825 7.4559 117.4824 66.0028 31.3452 177.9762 68 K 3.8864 8.0463 117.6303 59.5877 31.9756 178.8564 69 T 4.1604 7.9268 108.8356 63.9656 69.2316 176.9988 70 S 4.3070 7.9839 117.1741 60.3874 63.1824 174.3525 71 L 4.8590 7.6251 121.5998 53.3496 42.6796 176.5121 72 P 4.3954 0.0000 0.0000 65.3621 31.4567 176.6307 73 D 4.5739 8.0114 116.9727 55.2188 41.0584 176.4680 74 L 4.5068 8.0023 118.5062 54.3776 42.5858 176.3453 75 I 4.1006 7.6217 120.8141 61.3418 37.4654 175.6683 76 T 4.5364 8.6212 118.1815 59.7737 71.3925 175.6417 77 G 3.7211 8.8588 107.9490 46.8386 0.0000 174.5551 78 G 4.4298 8.1499 110.1388 46.4769 0.0000 176.4181 79 W 4.6350 9.6602 123.5239 58.0351 30.5992 175.6502 80 A 4.5380 8.3160 121.5474 51.7350 19.0967 174.8986 81 P 4.9863 0.0000 0.0000 62.0721 33.6669 174.5751 82 Q 4.8621 8.4353 120.9519 54.4055 30.4472 174.9823 83 V 4.4572 8.6230 123.8980 60.7876 34.6060 174.3842 84 Y 5.0161 9.1744 126.7124 58.6505 39.0118 175.5980 85 I 4.9534 8.6560 116.4752 58.6382 41.7227 175.5827 86 G 4.3420 9.0598 107.3519 46.9088 0.0000 173.0713 87 M 4.2913 8.1595 122.0317 54.8595 33.3006 175.2130 88 K 4.6397 9.0297 125.6992 54.3970 36.1019 175.2788 89 V 4.3655 8.4254 123.8701 60.6732 33.8034 173.7370 90 G 3.9588 8.8550 125.7276 46.4536 0.0000 174.4741 91 S 4.2047 8.9963 118.1777 61.6467 63.7873 174.3336 92 T 4.0329 8.3904 114.8626 61.8747 67.8605 175.5128 93 N 4.4245 8.5903 123.4768 55.0567 38.5827 175.8235 94 S 4.5450 7.4299 110.8026 58.2910 64.1595 174.9336 95 D 4.6135 7.6722 123.9497 53.3186 39.0987 174.9088 96 Q 4.9729 7.6586 118.2631 54.9646 30.3982 176.5237 97 T 4.7386 8.5270 113.6566 59.6835 72.7605 172.8418 98 W 5.4898 8.5515 121.4313 55.3191 31.5075 177.6462 99 T 4.1389 8.7755 112.6662 64.4793 68.5652 175.6319 100 D 3.8703 8.1178 119.7952 53.9555 39.7283 177.1306 101 G 3.9735 8.0847 108.5399 45.2477 0.0000 173.5869 102 S 4.4445 8.7598 114.8752 58.1749 63.6980 173.3485 103 S 5.0156 8.2614 114.7800 56.4512 64.7037 175.6857 104 V 4.4389 8.4568 123.3483 63.3046 28.6592 174.9109 105 D 5.0272 8.6548 118.8285 52.4633 40.2814 176.4062 106 Y 4.7694 8.1540 119.9990 56.0422 41.6812 173.7489 107 D 4.5305 7.7689 126.1832 52.7123 42.0331 175.2803 108 G 2.9326 5.9062 114.0386 44.0625 0.0000 171.3168 109 W 4.8651 6.4159 117.7062 56.6352 29.7752 176.4820 110 V 3.6491 9.2321 124.2766 62.9422 32.3985 174.7507 111 S 4.0555 8.2926 120.9327 60.2817 61.9272 174.2714 112 G 4.0873 9.4683 116.4943 45.0323 0.0000 172.5618 113 E 4.5957 7.9901 119.0178 53.5604 31.6636 174.0332 114 P 4.2682 0.0000 0.0000 62.3599 32.2042 175.0723 115 N 4.5708 7.6640 116.5090 52.9095 39.2577 174.4686 116 N 4.8405 9.0333 116.0150 53.1139 39.4611 174.8830 117 G 3.6941 7.7456 107.5915 44.0097 0.0000 172.1265 118 P 4.7969 0.0000 0.0000 62.6760 31.8542 175.5003 119 N 4.1381 8.0890 113.5648 54.2799 36.6917 174.9375 120 S 4.5903 6.9945 110.9584 57.7610 65.7250 172.8255 121 R 4.8796 8.7541 117.4026 54.5849 34.7625 175.0251 122 G 4.5334 8.7091 108.1679 45.2781 0.0000 172.6172 123 A 5.1991 8.8720 122.2497 49.8897 23.3291 175.8410 124 I 4.2555 8.7899 122.7709 61.4908 38.6125 175.0785 125 A 5.1031 8.6484 128.1245 50.3274 20.5228 176.2206 126 A 4.2573 9.1600 123.6084 53.1392 19.3466 177.7613 127 G 3.8646 8.4227 104.3639 46.1375 0.0000 174.7954 128 D 4.4446 8.8776 120.5299 56.8999 40.7140 177.7918 129 Y 4.2709 8.1628 120.3201 60.4841 38.6940 177.0042 130 S 3.7829 7.9072 112.0313 58.0172 63.7304 174.2641 131 R 3.6889 9.1143 116.8942 56.9984 28.6433 176.2251 132 G 3.8930 8.0120 106.9494 47.5489 0.0000 175.0392 133 F 4.4471 7.6096 117.4984 57.0477 40.4618 175.1361 134 W 5.1071 8.9828 120.6457 56.7771 30.3990 175.5479 135 A 5.7322 9.4361 124.2559 50.3935 22.1090 174.6643 136 D 5.8500 8.9322 119.5905 51.7605 41.7246 176.0123 137 V 4.7623 8.1318 112.7294 60.5542 37.0790 173.0626 138 Y 4.8275 8.9283 118.5669 56.9562 39.2539 177.3970 139 S 4.1194 9.0579 117.5694 61.2744 62.8756 175.5174 140 N 4.8249 8.1277 114.9690 52.4003 38.0746 174.6726 141 N 4.1955 8.4611 118.2235 54.3504 39.9299 173.6373 142 N 5.0886 8.2314 119.9228 51.9212 40.0955 173.9971 143 F 5.0448 9.0255 121.8270 55.1010 44.2707 174.6353 144 K 4.8338 8.5377 118.9537 57.2489 33.3154 175.7216 145 Y 5.5599 8.3771 119.3105 55.9379 42.3831 173.6173 146 I 4.9772 8.6123 120.0202 59.9312 40.0235 174.6584 147 C 5.6840 9.3927 124.7415 55.5192 41.8978 172.6491 148 Q 5.4897 9.4538 118.7358 54.4475 31.2327 175.2090 149 L 4.3911 8.6234 122.1858 53.4062 42.7330 175.1947 150 P 4.0822 0.0000 0.0000 63.5073 31.6859 175.5552 151 C 4.3841 8.5047 122.8810 58.3090 32.1077 173.0241 152 V 4.5504 7.9007 119.3510 60.0383 35.3287 173.9523 153 H 4.7859 8.0615 116.4538 53.6561 31.6157 172.6889 154 Y 4.3610 8.1255 118.5591 58.1094 38.3742 175.5147 155 T 4.5478 8.5296 114.1836 60.3855 69.7231 174.3724 156 L 4.7079 8.1718 127.9437 55.9122 42.5469 176.5316 157 E 4.1204 8.0199 123.6393 56.2564 29.0298 177.4143 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 2 L 8.18 4.20 0.00 1.56 1.62 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.28 4.26 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 1.14 0.00 0.00 4 S 9.18 4.68 0.00 3.79 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 5 C 8.34 4.96 0.00 2.94 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 6 P 0.00 4.42 0.00 2.01 1.88 0.00 3.31 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 1.37 1.80 0.00 7 P 0.00 4.51 0.00 2.23 2.10 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 2.06 2.03 0.00 8 L 8.78 3.90 0.00 1.90 1.82 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 9 W 7.72 4.77 0.00 3.26 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 10 T 9.08 4.82 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 1.56 0.00 0.00 11 G 8.80 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.92 4.53 0.00 1.53 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 13 N 9.14 3.62 0.00 2.76 2.71 0.00 0.00 7.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.05 3.89 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 0.00 0.00 0.00 15 K 7.71 4.41 0.00 1.51 1.27 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.32 7.81 16 C 7.98 5.33 0.00 2.56 2.86 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 17 F 9.63 5.97 0.00 3.23 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 18 R 8.70 4.47 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 19 L 8.11 4.46 0.00 1.46 1.30 0.81 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.77 4.41 0.00 1.51 2.62 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 0.00 21 H 9.06 4.48 0.00 3.12 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.16 4.90 0.00 2.94 2.98 0.00 0.00 6.09 7.90 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 23 H 9.27 4.55 0.00 3.05 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 9.09 5.08 0.00 1.35 1.40 0.67 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.52 5.94 0.00 3.11 3.18 0.00 0.00 6.36 8.12 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 26 F 8.97 3.19 0.00 2.66 2.93 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 27 D 8.25 4.34 0.00 2.84 2.70 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 28 N 8.05 4.35 0.00 2.66 2.76 0.00 0.00 6.91 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 29 A 7.96 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.64 3.64 0.00 1.55 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 2.26 2.29 0.00 31 N 8.09 4.14 0.00 2.80 2.80 0.00 0.00 7.23 7.57 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 32 A 8.16 3.99 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 33 C 8.01 4.65 0.00 3.19 3.38 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 34 R 7.59 4.13 0.00 1.84 1.91 0.00 3.12 0.00 0.00 3.18 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 35 Q 7.53 3.96 0.00 1.55 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 36 F 7.27 4.65 0.00 3.17 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 37 G 8.28 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 38 L 8.71 4.91 0.00 1.62 1.43 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.54 5.33 1.23 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 0.00 0.00 40 S 8.74 4.29 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 3.96 0.00 2.98 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 42 S 7.29 4.12 0.00 4.22 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 43 G 7.96 3.88 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 44 D 8.13 4.45 0.00 2.72 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 45 E 8.76 4.23 0.00 1.92 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 2.28 2.33 0.00 46 L 8.47 4.63 0.00 1.64 1.67 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.28 4.46 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 5.00 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 1.00 0.00 0.00 49 G 8.98 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 0.00 0.00 0.00 50 H 9.01 5.07 0.00 3.13 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.89 4.65 0.00 1.64 1.69 0.24 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 52 A 9.16 4.39 1.34 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 0.00 0.00 53 S 8.36 3.57 0.00 2.72 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 5.42 4.38 2.23 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.36 0.89 0.00 0.00 55 H 8.34 5.16 0.00 3.10 3.41 0.00 5.94 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.16 4.41 0.00 4.00 3.94 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 57 A 8.17 3.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.03 3.89 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 59 S 7.96 3.87 0.00 3.93 3.84 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 60 Q 7.89 3.83 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 61 A 8.01 3.87 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 62 F 7.74 3.87 0.00 2.09 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.73 3.22 0.00 1.42 1.37 0.52 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 64 T 7.52 3.62 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 0.98 0.00 0.00 65 E 7.89 3.82 0.00 2.02 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 2.21 2.22 0.00 66 L 7.58 3.60 0.00 1.08 1.34 0.68 0.74 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 67 V 7.46 3.38 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 0.86 0.00 0.00 0.79 0.00 0.00 68 K 8.05 3.89 0.00 1.73 1.78 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.36 7.81 69 T 7.93 4.16 4.19 0.00 0.00 0.00 0.00 0.00 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 70 S 7.98 4.31 0.00 3.99 3.88 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 71 L 7.63 4.86 0.00 1.89 1.53 0.81 0.77 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 72 P 0.00 4.40 0.00 2.15 2.16 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 73 D 8.01 4.57 0.00 2.69 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 74 L 8.00 4.51 0.00 1.71 1.70 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.62 4.10 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 0.89 0.00 0.00 76 T 8.62 4.54 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 1.32 0.00 0.00 77 G 8.86 3.72 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 0.00 0.00 0.00 78 G 8.15 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 0.00 0.00 0.00 0.00 79 W 9.66 4.64 0.00 3.39 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 80 A 8.32 4.54 1.34 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 0.00 0.00 81 P 0.00 4.99 0.00 2.09 2.18 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 82 Q 8.44 4.86 0.00 0.93 1.19 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 2.27 2.34 0.00 83 V 8.62 4.46 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 1.05 0.00 0.00 0.83 0.00 0.00 84 Y 9.17 5.02 0.00 3.13 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 85 I 8.66 4.95 2.08 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.87 0.00 0.00 86 G 9.06 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 0.00 0.00 0.00 87 M 8.16 4.29 0.00 1.79 0.92 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.03 0.00 88 K 9.03 4.64 0.00 1.62 1.54 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.09 1.35 7.81 89 V 8.43 4.37 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.97 0.00 0.00 90 G 8.86 3.96 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 0.00 0.00 0.00 91 S 9.00 4.20 0.00 3.84 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 92 T 8.39 4.03 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 1.34 0.00 0.00 93 N 8.59 4.42 0.00 2.63 2.67 0.00 0.00 6.90 7.57 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 94 S 7.43 4.55 0.00 4.00 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 95 D 7.67 4.61 0.00 2.75 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 96 Q 7.66 4.97 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 97 T 8.53 4.74 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 1.22 0.00 0.00 98 W 8.55 5.49 0.00 3.40 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 99 T 8.78 4.14 4.56 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 1.42 0.00 0.00 100 D 8.12 3.87 0.00 2.71 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 0.00 101 G 8.08 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 0.00 102 S 8.76 4.44 0.00 3.94 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 0.00 103 S 8.26 5.02 0.00 4.12 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 0.00 104 V 8.46 4.44 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 0.96 0.00 0.00 0.83 0.00 0.00 105 D 8.65 5.03 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 0.00 106 Y 8.15 4.77 0.00 3.02 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 0.00 107 D 7.77 4.53 0.00 2.57 2.26 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 0.00 108 G 5.91 2.93 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 0.00 109 W 6.42 4.87 0.00 3.15 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 0.00 110 V 9.23 3.65 2.38 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 0.81 0.00 0.00 1.12 0.00 0.00 111 S 8.29 4.06 0.00 3.84 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 0.00 112 G 9.47 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 0.00 0.00 0.00 0.00 113 E 7.99 4.60 0.00 2.42 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 0.00 2.66 2.89 0.00 114 P 0.00 4.27 0.00 1.73 1.30 0.00 3.15 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.72 0.00 115 N 7.66 4.57 0.00 2.69 3.02 0.00 0.00 6.78 8.61 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 0.00 116 N 9.03 4.84 0.00 2.36 2.33 0.00 0.00 6.85 7.45 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 0.00 117 G 7.75 3.69 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 0.00 118 P 0.00 4.80 0.00 2.16 2.13 0.00 3.94 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 119 N 8.09 4.14 0.00 2.83 2.84 0.00 0.00 6.96 7.36 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 0.00 120 S 6.99 4.59 0.00 3.89 3.88 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 0.00 121 R 8.75 4.88 0.00 1.71 0.99 0.00 2.21 0.00 0.00 2.60 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.84 0.00 122 G 8.71 4.53 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 0.00 123 A 8.87 5.20 1.06 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 0.00 124 I 8.79 4.26 1.83 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 1.42 0.75 0.91 0.00 0.00 125 A 8.65 5.10 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 0.00 126 A 9.16 4.26 1.18 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 0.00 0.00 0.00 127 G 8.42 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 0.00 128 D 8.88 4.44 0.00 2.58 2.74 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 0.00 129 Y 8.16 4.27 0.00 2.93 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 0.00 130 S 7.91 3.78 0.00 3.88 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 0.00 131 R 9.11 3.69 0.00 2.00 2.02 0.00 2.93 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 132 G 8.01 3.89 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 0.00 0.00 0.00 133 F 7.61 4.45 0.00 3.18 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 0.00 134 W 8.98 5.11 0.00 2.87 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 0.00 135 A 9.44 5.73 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 0.00 136 D 8.93 5.85 0.00 2.77 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 0.00 137 V 8.13 4.76 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 0.92 0.00 0.00 1.40 0.00 0.00 138 Y 8.93 4.83 0.00 2.92 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 0.00 139 S 9.06 4.12 0.00 3.99 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 0.00 140 N 8.13 4.82 0.00 2.88 3.02 0.00 0.00 6.02 8.04 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 0.00 141 N 8.46 4.20 0.00 3.07 2.29 0.00 0.00 6.83 7.06 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 0.00 142 N 8.23 5.09 0.00 2.46 2.75 0.00 0.00 6.76 7.45 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 0.00 143 F 9.03 5.04 0.00 2.54 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 0.00 144 K 8.54 4.83 0.00 1.68 1.79 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.69 1.34 7.81 145 Y 8.38 5.56 0.00 3.09 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 0.00 146 I 8.61 4.98 1.91 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.97 0.00 0.00 147 C 9.39 5.68 0.00 3.27 3.35 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 0.00 148 Q 9.45 5.49 0.00 1.87 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 149 L 8.62 4.39 0.00 1.14 1.29 -0.21 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.08 0.00 1.97 2.00 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 151 C 8.50 4.38 0.00 2.88 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 0.00 152 V 7.90 4.55 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 0.73 0.00 0.00 0.77 0.00 0.00 153 H 8.06 4.79 0.00 3.14 3.11 0.00 5.53 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 0.00 154 Y 8.13 4.36 0.00 3.06 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 0.00 155 T 8.53 4.55 4.26 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 1.20 0.00 0.00 156 L 8.17 4.71 0.00 1.65 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 157 E 8.02 4.12 0.00 1.95 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 2.33 2.44 0.00