NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1996 8.2649 123.5827 50.9621 19.7203 176.2142 2 P 4.0673 0.0000 0.0000 63.3539 30.8164 174.4109 3 T 4.3771 8.8274 119.6126 65.1438 71.5424 177.1016 4 S 4.1550 8.0989 117.1359 61.9346 63.3559 176.4001 5 S 4.1226 8.0794 115.7609 60.0373 61.3086 176.1777 6 S 4.0230 8.2789 113.9961 58.7915 61.0606 172.3639 7 T 4.2390 7.4284 110.8588 63.9806 68.8085 175.3993 8 K 4.5601 7.6737 117.3387 55.1126 34.7632 177.9189 9 K 4.1257 7.7944 117.9307 58.7439 31.8373 178.5687 10 T 3.9193 7.9400 115.8011 67.0820 68.3309 175.8413 11 Q 3.9996 8.1729 121.5796 58.8421 28.9385 177.9634 12 L 3.9129 7.9155 121.4587 58.4171 42.1533 178.8093 13 Q 4.0938 8.2284 117.4552 58.9291 28.5439 179.0768 14 L 3.9771 7.6926 121.0069 58.3728 42.2628 178.9060 15 E 4.0468 8.1681 118.3021 59.3754 29.3147 179.1074 16 H 4.1508 7.9489 118.2704 59.2257 30.1275 177.1332 17 L 3.6893 7.3061 120.7797 57.9015 41.6482 179.6482 18 L 4.1707 7.9118 118.0557 56.8220 41.3898 179.3798 19 L 3.9595 7.7310 121.1032 58.2807 42.1658 178.4028 20 D 4.5271 8.0661 118.1489 56.4739 41.0013 178.8950 21 L 4.1195 7.8300 119.8288 57.7097 41.5925 179.3753 22 Q 4.0525 8.0493 117.7160 59.3404 28.5636 178.5513 23 M 4.1277 7.7092 118.1260 58.8088 32.3069 177.8641 24 I 4.1317 7.8588 119.6967 63.4751 37.5359 177.8965 25 L 4.3133 8.5122 120.6150 57.5842 41.5371 179.2415 26 N 4.5647 8.0010 117.1571 56.2983 39.1943 176.8757 27 G 3.8518 8.2825 107.3650 47.8037 0.0000 175.5542 28 I 3.9152 7.9869 118.9284 62.5980 38.0469 176.0581 29 N 4.8416 7.6491 116.0248 53.9299 38.7349 173.8735 30 N 4.7887 7.7061 116.0965 54.0275 38.8663 175.4990 31 Y 4.0707 7.8650 115.7262 57.3952 36.1525 175.4509 32 K 4.5755 8.0827 128.1725 56.2629 33.0489 176.5798 33 N 4.8645 8.2060 116.7815 51.4163 39.7091 174.4794 34 P 4.3378 0.0000 0.0000 63.9053 32.4390 176.6933 35 K 4.5576 7.2853 119.4796 55.5629 31.4222 176.0639 36 L 4.5422 7.2199 115.0763 55.0155 42.5134 180.0138 37 T 3.8943 7.8352 111.0243 64.4074 69.3248 175.9225 38 R 4.2126 7.8073 118.0795 56.6830 30.7034 176.7686 39 M 4.1395 7.4042 117.7669 55.9250 32.2016 177.0966 40 L 3.8880 7.3159 120.1918 58.1028 41.9320 178.3058 41 T 3.7358 7.9129 108.3907 64.2704 67.9561 175.1480 42 A 3.3802 7.4454 123.9091 54.6710 17.8630 179.1258 43 K 3.6561 6.9059 113.0091 55.4982 31.5536 174.7560 44 F 4.5261 6.8471 114.4319 57.7451 39.5352 175.4714 45 Y 4.9427 8.3763 129.8090 55.7259 37.1334 174.6383 46 M 4.2910 8.0345 119.1557 54.5607 32.2152 175.5931 47 P 4.5746 0.0000 0.0000 62.6208 31.8484 176.1884 48 K 3.9833 7.7467 118.6468 58.4659 32.2365 178.5525 49 K 4.3443 7.2095 116.9546 55.1069 34.9635 176.1622 50 A 4.2329 7.4759 115.9375 52.4867 20.0055 176.3687 51 T 4.1594 7.6955 113.8080 61.3301 69.0673 173.0556 52 E 4.8522 7.7957 118.8937 55.1427 33.6036 175.8798 53 L 4.7988 8.4285 117.2636 55.6780 42.2887 179.2866 54 K 4.1576 8.0435 120.7786 59.9245 32.1965 178.5145 55 H 4.7247 8.4185 115.5939 58.5048 28.6634 177.2426 56 L 3.7247 7.8534 120.0200 57.2394 41.2091 179.2137 57 Q 4.0079 8.1199 118.1700 58.8435 28.5606 177.7366 58 C 4.5874 8.4185 117.4285 59.4745 38.4142 175.8669 59 L 3.9800 7.7900 121.5686 57.6894 40.8409 179.1840 60 E 3.9006 7.8615 116.4349 59.1353 29.6842 178.2603 61 E 4.2239 8.1473 118.9003 57.9166 29.9611 177.7593 62 E 4.0392 8.3094 118.5031 58.8848 29.2669 178.9175 63 L 3.9031 7.2355 117.9916 57.1825 41.9204 179.3574 64 K 4.0919 7.7830 119.0624 58.8913 30.7730 177.5682 65 P 4.3199 0.0000 0.0000 65.8135 31.3491 177.8373 66 L 4.2405 7.4855 119.1760 57.0744 41.6236 178.3364 67 E 3.9355 7.6412 118.8030 59.0489 29.8946 178.0155 68 E 4.0621 7.6803 119.3789 59.4371 29.7652 179.1133 69 V 3.6512 7.8210 117.3773 65.4715 31.7053 177.4011 70 L 4.0093 7.7839 120.0995 57.9613 41.5937 178.1964 71 N 4.3519 7.9110 116.4238 56.7989 38.9000 176.4559 72 L 4.3016 7.7991 118.6701 56.4940 41.8620 177.1068 73 A 4.7827 7.7197 120.5435 52.3806 19.2938 177.2291 74 Q 4.6217 7.6056 122.5552 56.0886 29.1165 173.2077 75 S 4.6764 8.0944 122.6645 58.5694 69.2757 176.5599 76 K 4.3977 7.3447 116.0067 57.2031 34.9909 177.3107 77 N 4.2198 8.0436 118.5085 56.7099 39.3860 176.6015 78 F 4.6526 7.8720 119.7248 58.0245 39.0176 175.4979 79 H 4.5767 7.8039 113.7082 55.5457 29.2878 175.4082 80 L 3.9324 7.4656 120.3956 55.0318 40.9692 176.6506 81 R 4.0014 8.7625 123.9804 58.7452 29.7031 176.9475 82 P 4.5161 0.0000 0.0000 62.8860 29.1759 176.5563 83 R 4.0549 8.0912 126.1623 58.9608 30.3776 177.3759 84 D 4.4569 8.1658 118.5114 56.6830 40.7663 178.1304 85 L 3.9422 7.5044 119.1461 58.1354 41.5156 179.3586 86 I 3.7123 7.6446 118.1188 64.0702 37.8191 177.7980 87 S 4.0916 7.9276 113.0485 60.6395 62.2511 175.2406 88 N 4.3400 8.3720 120.4036 56.5151 38.6780 176.8524 89 I 3.8267 7.5824 121.3407 64.3297 37.0302 177.8715 90 N 4.1693 7.7420 118.0423 56.3848 38.8402 177.0423 91 V 3.6684 7.4405 119.6000 65.3036 31.6131 177.7112 92 I 3.9561 7.5897 119.2890 63.4424 37.1179 178.3835 93 V 3.7640 7.7642 113.4902 63.9457 31.1284 178.5348 94 L 4.0270 7.4903 118.2255 57.6226 41.5587 178.6982 95 E 4.0767 7.8544 118.1168 58.6686 29.5912 178.3031 96 L 4.1397 7.7602 120.1213 58.4312 42.2944 175.9695 97 K 4.2924 8.5607 120.5619 52.7611 40.3500 174.7857 98 G 4.0244 7.9822 109.6957 46.6009 0.0000 172.5599 99 S 4.5902 8.1940 111.9180 57.6853 64.9685 176.6674 100 E 3.7149 7.3899 121.5494 57.2674 25.2754 176.3454 101 T 4.3825 7.6449 117.5510 62.5771 70.3499 173.3212 102 T 3.9973 8.2242 115.8855 61.4707 67.2940 173.7163 103 F 4.7946 8.1169 128.9799 56.3138 40.6606 173.9257 104 M 3.7559 8.4862 127.3186 55.1935 32.1847 176.6926 105 C 3.3947 8.1737 120.7489 57.2973 38.8936 173.3888 106 E 3.9977 8.6084 125.8113 55.8658 28.8106 174.3417 107 Y 4.6562 7.3565 122.4408 56.8477 39.6484 174.9689 108 A 4.0487 8.2840 122.8843 52.8889 22.5814 174.1223 109 D 5.1885 9.6180 119.5510 52.9196 40.2161 174.9448 110 E 5.0855 7.2780 115.7260 56.0397 32.4450 176.2200 111 T 4.3674 8.3250 111.4004 61.6928 70.2535 172.7747 112 A 4.7679 8.3538 122.5721 50.8866 23.0628 175.5988 113 T 4.3370 7.9873 109.9623 61.4920 71.2806 175.3434 114 I 3.9751 8.1507 117.5999 63.3648 38.2808 178.5259 115 V 3.8297 7.6704 118.5325 65.5145 31.3602 177.4441 116 E 4.0167 7.7998 119.7040 59.0611 29.3723 178.3780 117 F 4.0872 8.4776 120.4019 61.6159 39.5898 176.2121 118 L 4.1167 8.0582 117.7809 57.9655 41.4194 178.7210 119 N 4.4165 8.5065 117.1442 56.3315 39.1531 177.5738 120 R 3.6149 7.5579 119.7483 59.2687 30.0579 178.8295 121 W 4.6038 7.2935 118.2367 59.3042 29.0042 179.1511 122 I 3.8009 7.6636 119.5443 64.8935 36.6863 178.6808 123 T 3.9759 7.9386 116.1309 65.9273 68.1663 176.6347 124 F 3.9694 8.0482 122.9407 62.1714 39.3850 176.2789 125 C 4.4610 8.4808 116.5846 62.1189 27.6792 175.6297 126 Q 4.0348 8.0989 123.1560 59.0761 28.9842 179.5198 127 S 4.2554 7.9533 114.0926 60.9890 62.5218 175.7681 128 I 3.5640 7.2272 120.0241 63.9863 37.9199 177.3189 129 I 4.0218 7.5363 120.1736 63.8734 37.0109 178.1575 130 S 4.2191 7.8720 114.2263 60.8296 62.7794 174.8683 131 T 4.2703 7.5919 112.7741 62.3028 67.9794 175.2656 132 L 4.0615 7.7644 122.4743 58.0713 42.3009 176.4865 133 T 4.1618 7.6934 115.6867 62.0676 67.5311 173.0948 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 A 8.26 4.20 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 2 P 0.00 4.07 0.00 2.20 2.05 0.00 3.83 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 2.12 2.05 0.00 3 T 8.83 4.38 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 1.21 0.00 0.00 4 S 8.10 4.15 0.00 3.86 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 5 S 8.08 4.12 0.00 3.88 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 6 S 8.28 4.02 0.00 4.10 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 7 T 7.43 4.24 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 1.21 0.00 0.00 8 K 7.67 4.56 0.00 1.80 1.81 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.35 7.81 9 K 7.79 4.13 0.00 2.20 1.81 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 10 T 7.94 3.92 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 1.23 0.00 0.00 11 Q 8.17 4.00 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 12 L 7.92 3.91 0.00 1.83 1.65 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.23 4.09 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 14 L 7.69 3.98 0.00 1.89 1.68 1.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.17 4.05 0.00 2.18 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 2.35 2.34 0.00 16 H 7.95 4.15 0.00 3.15 3.44 0.00 5.60 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 17 L 7.31 3.69 0.00 1.76 1.67 0.99 0.56 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 18 L 7.91 4.17 0.00 1.73 1.74 0.99 0.59 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 19 L 7.73 3.96 0.00 1.82 1.85 0.94 1.32 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 20 D 8.07 4.53 0.00 2.77 2.71 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 21 L 7.83 4.12 0.00 1.91 1.77 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.05 4.05 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 23 M 7.71 4.13 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 24 I 7.86 4.13 2.15 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.34 1.15 0.00 0.00 25 L 8.51 4.31 0.00 2.12 1.87 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.00 4.56 0.00 2.81 2.97 0.00 0.00 7.19 7.86 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 27 G 8.28 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 0.00 0.00 0.00 28 I 7.99 3.92 0.68 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.90 0.00 0.00 29 N 7.65 4.84 0.00 2.98 2.85 0.00 0.00 7.09 8.51 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 30 N 7.71 4.79 0.00 2.86 2.74 0.00 0.00 7.14 7.40 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 31 Y 7.86 4.07 0.00 3.07 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 32 K 8.08 4.58 0.00 1.74 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.64 7.81 33 N 8.21 4.86 0.00 3.11 2.85 0.00 0.00 6.85 8.07 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 34 P 0.00 4.34 0.00 2.19 2.18 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 35 K 7.29 4.56 0.00 1.83 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.38 7.81 36 L 7.22 4.54 0.00 1.64 1.52 0.88 0.42 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 37 T 7.84 3.89 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 1.19 0.00 0.00 38 R 7.81 4.21 0.00 1.78 1.96 0.00 3.33 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 39 M 7.40 4.14 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.16 0.00 40 L 7.32 3.89 0.00 1.44 1.54 0.78 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.91 3.74 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 1.19 0.00 0.00 42 A 7.45 3.38 0.15 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 43 K 6.91 3.66 0.00 1.85 1.66 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.15 1.15 7.81 44 F 6.85 4.53 0.00 3.24 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 45 Y 8.38 4.94 0.00 2.69 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 0.00 0.00 0.00 0.00 46 M 8.03 4.29 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 47 P 0.00 4.57 0.00 2.47 2.19 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.18 0.00 48 K 7.75 3.98 0.00 1.83 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.42 7.81 49 K 7.21 4.34 0.00 1.68 1.62 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.36 7.81 50 A 7.48 4.23 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 51 T 7.70 4.16 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 1.18 0.00 0.00 52 E 7.80 4.85 0.00 2.05 1.85 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 2.30 2.25 0.00 53 L 8.43 4.80 0.00 1.87 1.80 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.04 4.16 0.00 1.91 1.77 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.61 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.74 1.58 7.81 55 H 8.42 4.72 0.00 3.75 3.69 0.00 5.88 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 56 L 7.85 3.72 0.00 1.96 1.38 1.03 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.12 4.01 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 58 C 8.42 4.59 0.00 3.55 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.79 3.98 0.00 1.45 1.41 -1.36 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.86 3.90 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 2.42 2.32 0.00 61 E 8.15 4.22 0.00 2.13 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 2.37 2.41 0.00 62 E 8.31 4.04 0.00 2.47 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 2.77 3.07 0.00 63 L 7.24 3.90 0.00 1.82 1.69 0.92 0.86 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 64 K 7.78 4.09 0.00 1.91 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 65 P 0.00 4.32 0.00 2.53 2.39 0.00 3.70 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 2.06 2.01 0.00 66 L 7.49 4.24 0.00 0.32 1.20 0.62 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.64 3.94 0.00 2.31 1.96 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 2.34 2.31 0.00 68 E 7.68 4.06 0.00 2.22 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 2.30 2.32 0.00 69 V 7.82 3.65 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 0.81 0.00 0.00 0.96 0.00 0.00 70 L 7.78 4.01 0.00 2.00 1.73 1.05 0.69 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 71 N 7.91 4.35 0.00 2.85 2.90 0.00 0.00 7.28 7.67 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 72 L 7.80 4.30 0.00 1.79 1.85 0.87 1.27 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 73 A 7.72 4.78 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 74 Q 7.61 4.62 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 75 S 8.09 4.68 0.00 3.84 3.81 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 76 K 7.34 4.40 0.00 1.62 1.60 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.42 7.81 77 N 8.04 4.22 0.00 2.70 3.10 0.00 0.00 6.62 7.34 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 78 F 7.87 4.65 0.00 2.95 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 79 H 7.80 4.58 0.00 3.25 3.42 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.47 3.93 0.00 1.35 1.56 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.76 4.00 0.00 1.74 1.98 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 82 P 0.00 4.52 0.00 2.17 2.19 0.00 3.49 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 83 R 8.09 4.05 0.00 1.94 2.17 0.00 3.21 0.00 0.00 3.42 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 84 D 8.17 4.46 0.00 2.74 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 85 L 7.50 3.94 0.00 1.72 1.92 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 86 I 7.64 3.71 1.99 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 1.62 1.17 1.04 0.00 0.00 87 S 7.93 4.09 0.00 3.92 3.83 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 88 N 8.37 4.34 0.00 2.94 2.92 0.00 0.00 7.01 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 89 I 7.58 3.83 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 1.39 0.67 0.75 0.00 0.00 90 N 7.74 4.17 0.00 2.60 2.85 0.00 0.00 6.75 7.50 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 91 V 7.44 3.67 2.36 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 0.90 0.00 0.00 0.93 0.00 0.00 92 I 7.59 3.96 1.98 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.91 0.75 0.00 0.00 93 V 7.76 3.76 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 0.89 0.00 0.00 0.94 0.00 0.00 94 L 7.49 4.03 0.00 1.70 1.70 0.96 1.34 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 95 E 7.85 4.08 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 96 L 7.76 4.14 0.00 1.90 1.70 1.03 0.45 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 97 K 8.56 4.29 0.00 1.69 1.59 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.35 1.40 7.81 98 G 7.98 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 99 S 8.19 4.59 0.00 3.88 3.80 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 0.00 100 E 7.39 3.71 0.00 2.00 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 0.00 2.31 2.39 0.00 101 T 7.64 4.38 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 102 T 8.22 4.00 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 1.23 0.00 0.00 103 F 8.12 4.79 0.00 2.82 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 0.00 104 M 8.49 3.76 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 105 C 8.17 3.39 0.00 2.51 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 0.00 0.00 0.00 106 E 8.61 4.00 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 107 Y 7.36 4.66 0.00 2.21 2.98 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 0.00 0.00 0.00 0.00 108 A 8.28 4.05 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 0.00 109 D 9.62 5.19 0.00 2.81 3.02 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 0.00 110 E 7.28 5.09 0.00 2.05 1.88 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 2.09 2.12 0.00 111 T 8.33 4.37 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 0.54 0.00 0.00 112 A 8.35 4.77 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 0.00 113 T 7.99 4.34 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 1.12 0.00 0.00 114 I 8.15 3.98 1.70 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 1.59 1.63 0.80 0.00 0.00 115 V 7.67 3.83 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 0.92 0.00 0.00 0.92 0.00 0.00 116 E 7.80 4.02 0.00 2.19 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 2.37 0.00 117 F 8.48 4.09 0.00 3.31 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 0.00 118 L 8.06 4.12 0.00 2.13 1.70 1.12 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.51 4.42 0.00 2.90 2.80 0.00 0.00 7.40 8.55 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 0.00 120 R 7.56 3.61 0.00 1.57 0.90 0.00 3.03 0.00 0.00 2.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 121 W 7.29 4.60 0.00 3.02 2.98 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 0.00 0.00 0.00 0.00 122 I 7.66 3.80 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.12 0.96 0.00 0.00 123 T 7.94 3.98 4.32 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 1.19 0.00 0.00 124 F 8.05 3.97 0.00 3.41 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 0.00 125 C 8.48 4.46 0.00 3.15 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 0.00 126 Q 8.10 4.03 0.00 1.99 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 127 S 7.95 4.26 0.00 3.95 3.68 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 0.00 0.00 0.00 0.00 128 I 7.23 3.56 1.45 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 1.50 0.85 0.99 0.00 0.00 129 I 7.54 4.02 1.87 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 1.83 1.23 0.92 0.00 0.00 130 S 7.87 4.22 0.00 4.11 3.91 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 0.00 131 T 7.59 4.27 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 1.28 0.00 0.00 132 L 7.76 4.06 0.00 1.80 1.68 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.69 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 1.21 0.00 0.00