NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4313 8.3044 120.3337 55.0123 33.4605 174.1612 2 L 4.2343 8.1611 121.1435 54.5368 42.8150 174.3316 3 L 4.6980 8.1434 121.4969 54.4186 43.2833 176.0247 4 I 4.4510 7.5724 113.4485 59.4796 40.2038 174.5217 5 T 4.7592 7.8435 109.2066 58.9058 73.1113 172.7752 6 P 4.4042 0.0000 0.0000 66.0328 31.4139 178.4561 7 D 4.4666 8.0359 118.5042 57.1246 40.7411 178.0444 8 E 4.0061 8.1285 119.5706 58.7824 29.7151 178.2450 9 L 4.0241 7.5969 119.5124 58.2359 41.9654 179.2961 10 K 4.2978 7.5249 115.9046 59.8536 32.6505 178.7421 11 S 4.2180 7.8103 113.3521 60.5064 62.2615 174.5150 12 Y 4.5024 7.5609 120.2767 58.4339 39.7786 175.9088 13 S 4.1999 7.8314 112.8585 58.8177 62.9789 173.8785 14 V 4.1837 8.8498 115.9993 61.6181 33.7849 176.7064 15 F 4.0650 8.1433 118.6934 57.2362 38.9715 176.0488 16 E 4.1280 9.0042 125.1805 59.3238 28.8066 179.2985 17 S 4.2993 8.2488 116.2589 61.4512 62.7310 176.3703 18 V 3.7346 7.6779 120.3779 65.4107 31.3114 178.0852 19 K 4.1536 7.9098 117.1578 59.6197 32.3896 178.5770 20 T 3.9627 8.2143 112.1658 64.3211 67.3334 174.5111 21 R 4.1012 6.8512 117.5069 55.1806 30.1598 175.1867 22 P 4.5856 0.0000 0.0000 62.8711 32.9710 175.9214 23 D 4.7622 8.5034 115.9592 56.1761 40.9941 178.6799 24 E 4.0771 8.0015 118.1575 59.3188 29.8465 179.0309 25 L 4.0264 7.8043 119.6038 57.4781 41.8165 179.0333 26 L 4.0004 7.3991 119.3036 57.9700 41.5314 179.9158 27 K 3.9827 7.6961 117.0092 59.5719 32.0246 179.3704 28 Q 3.9759 7.6199 116.9652 58.8550 28.6896 178.4670 29 D 4.1516 8.0538 118.9711 57.3224 41.3493 178.1243 30 I 3.9053 7.6888 121.5914 63.9808 36.9780 178.5266 31 L 4.0578 7.7705 117.8599 57.6552 41.1764 179.0620 32 E 4.0693 8.0769 118.1523 58.4671 29.3092 179.0293 33 A 4.0201 8.0888 121.5076 55.3871 18.6615 179.4656 34 T 3.7806 8.0505 111.1904 65.1104 67.2402 175.9455 35 A 4.0472 7.5992 122.4719 54.7510 18.2585 179.1892 36 D 4.2275 8.3601 117.1988 57.5843 41.5540 178.3646 37 I 3.7453 7.7641 119.7953 64.7142 37.0801 178.4001 38 I 3.6708 7.8221 120.4648 64.2107 36.6610 178.4965 39 L 3.9953 7.5182 118.5097 57.0718 41.3980 179.3792 40 K 4.1856 7.5056 117.7082 59.4363 32.3945 179.4850 41 V 3.8989 7.7708 112.2430 62.0236 31.2327 177.0979 42 G 4.3106 9.1445 106.6112 46.2491 0.0000 172.9254 43 H 4.3931 7.3940 110.4731 54.6668 30.4180 173.1082 44 D 4.4428 8.3433 121.4496 51.7261 42.3637 175.2865 45 F 5.0155 7.9469 112.4167 56.8071 39.4017 175.1859 46 S 4.2662 8.5912 117.8179 60.9880 64.1040 175.2978 47 D 4.3465 8.3140 121.9351 54.1960 40.6170 177.2717 48 A 4.0630 8.8125 128.1310 54.6008 18.5188 177.2176 49 E 4.5842 7.9191 112.5793 56.2045 30.5544 176.2404 50 Y 4.9684 7.6133 113.4077 58.5573 41.1173 175.6600 51 I 4.3049 7.2526 123.0105 58.8915 37.4245 173.9520 52 P 4.1368 0.0000 0.0000 62.4964 32.3484 178.0964 53 L 4.2385 7.5560 122.7990 52.8180 42.7764 173.8759 54 P 4.4664 0.0000 0.0000 61.7621 32.9525 176.9391 55 E 4.1448 8.5565 116.4902 58.9718 29.6475 178.7447 56 T 3.9799 7.7443 113.1418 64.8277 67.5351 176.4397 57 V 3.5052 7.5432 119.7678 66.0591 31.8610 177.6416 58 R 3.8136 7.4152 117.0893 59.3960 29.7345 178.2524 59 L 3.6925 7.5440 118.3627 57.9481 42.1927 178.4315 60 A 4.0057 7.8371 120.8087 55.3893 18.2761 179.4357 61 L 3.9519 8.0257 118.5157 58.2390 41.9573 179.0065 62 L 4.1056 7.6854 118.5244 57.8087 41.5350 179.8283 63 K 4.2045 8.2663 118.2956 59.5178 32.1247 179.4583 64 L 4.0444 8.0494 119.2674 57.7900 41.0265 179.6481 65 S 4.5296 8.6763 116.7953 61.2844 62.9542 176.6407 66 Q 4.0578 7.9747 121.9320 58.9696 28.6056 177.9687 67 F 3.9743 8.1848 121.6639 61.5581 39.1519 176.7904 68 Y 3.8270 8.2815 115.8959 61.0789 37.5341 178.2407 69 A 3.9686 8.1971 120.6552 55.0026 17.7821 179.3587 70 L 3.6369 7.5004 118.9138 57.6333 41.9018 178.7306 71 I 4.0613 6.5663 110.5651 61.2285 38.7735 176.0823 72 N 4.7265 7.4533 119.6935 55.5916 39.4301 176.7698 73 G 4.0099 7.4426 105.1736 44.2431 0.0000 172.7093 74 D 4.5027 7.3920 117.2944 54.1180 41.7965 175.1580 75 E 4.7349 8.2674 118.6583 55.4841 29.8340 176.4446 76 S 4.6285 7.5453 107.7455 57.6213 63.9085 174.4367 77 I 5.2862 7.6790 120.1377 59.6396 40.8106 174.7724 78 I 4.7483 8.1013 124.4156 59.7441 41.0099 175.1680 79 K 4.0996 8.6381 121.8473 56.6369 32.8048 176.4746 80 G 3.6220 8.3906 105.1106 47.7389 0.0000 172.8039 81 Y 3.4640 8.2689 123.7534 57.9101 36.6547 168.2784 82 T 4.1674 7.5333 121.1312 61.8768 72.8802 173.7163 83 T 3.9638 7.8724 112.1250 61.4744 68.9281 173.0762 84 E 4.0828 8.5597 121.2085 56.0886 29.8651 176.8280 85 K 4.1931 8.5210 118.4386 57.9287 32.6465 176.2730 86 I 4.7040 8.9153 122.4007 59.5657 41.0765 176.2619 87 G 4.0425 8.5419 112.7652 44.8905 0.0000 171.0723 88 D 4.3008 7.2794 115.9423 52.8533 44.7663 172.8672 89 Y 4.3484 8.1038 117.0971 58.3797 38.1369 175.2389 90 S 4.3471 8.8030 117.9755 59.9165 66.6563 174.3517 91 Y 3.5213 8.1652 112.2438 58.8963 34.4627 170.2725 92 T 3.9970 7.7075 116.9488 64.2331 69.8632 174.2139 93 L 5.0073 7.9603 122.7573 52.5038 44.2991 178.0862 94 G 3.6803 8.6704 109.0539 48.5616 0.0000 173.9807 95 D 4.7237 8.2635 118.9921 53.5972 40.9066 176.6641 96 G 4.2365 8.0482 106.1071 46.5509 0.0000 174.1656 97 S 4.7550 7.4544 113.7808 56.7169 64.6971 174.1330 98 S 4.6134 8.1689 118.2335 55.9298 61.6960 171.1754 99 L 4.0006 8.3001 128.2089 56.3791 41.6931 176.2416 100 Q 4.6627 8.4595 124.7873 53.8654 30.4018 176.2522 101 K 2.0000 7.9570 120.7119 55.0562 32.6084 174.9808 102 P 4.3554 0.0000 0.0000 62.9034 32.0863 177.4471 103 D 4.6949 8.3738 121.7619 54.1798 38.5454 176.2847 104 V 4.3536 7.4660 112.7403 61.4755 32.7676 178.0528 105 Y 4.3589 8.0968 123.8407 60.7377 38.4126 177.1003 106 A 3.9255 7.9634 120.3867 54.6439 18.6292 179.0623 107 L 4.4564 7.6925 117.2992 56.1198 42.0154 178.3300 108 I 4.5300 7.4339 110.5243 60.5071 38.2679 177.0094 109 K 3.6948 7.5303 122.0739 59.0961 32.0952 177.0500 110 D 4.2828 7.8283 116.6204 55.8775 41.5544 175.3076 111 Y 4.7956 7.9921 116.9359 57.8338 38.6097 176.7463 112 V 4.1498 7.8396 120.2890 61.4612 31.9231 173.5331 113 K 3.7559 8.2633 127.0848 56.2200 30.0804 173.0716 114 P 4.5448 0.0000 0.0000 61.8823 33.1888 176.4148 115 A 4.8142 8.2611 117.4426 52.2551 18.9252 175.4855 116 D 5.0641 7.6150 120.1650 51.6561 44.7904 176.6050 117 P 4.5037 0.0000 0.0000 62.8884 32.7067 176.1272 118 D 4.7260 8.5548 121.3753 54.6749 40.9503 178.9070 119 L 3.9120 7.8844 120.1380 57.7171 40.3594 177.1347 120 E 3.7182 7.2178 116.6105 55.6460 29.5932 176.4403 121 G 3.7810 8.4195 108.1021 46.3177 0.0000 172.8755 122 I 4.5400 7.6090 125.6380 60.3719 41.2114 175.7563 123 E 3.6892 8.9272 121.0337 57.5513 26.8661 175.5626 124 A 4.4011 7.5607 121.9774 54.2875 19.7127 180.1158 125 K 3.7588 7.8589 117.4614 59.2199 32.5279 179.0183 126 V 3.8251 7.7363 118.1692 65.6501 31.2901 177.9705 127 R 4.0528 7.9814 117.0356 58.4849 30.0779 177.6836 128 M 4.3081 7.3269 115.4885 57.4532 32.1027 178.4334 129 R 4.1318 8.4410 118.5312 57.8016 30.4734 177.1945 130 S 4.7886 7.7654 114.3224 58.1073 63.5253 173.8197 131 I 4.3765 7.4647 118.9992 59.1731 39.6179 174.9342 132 L 4.0993 8.5948 125.8744 57.4933 39.9704 176.7642 133 E 4.4969 7.6983 123.4941 53.6620 35.8982 175.9861 134 H 4.0140 8.4928 118.6713 57.0820 28.6232 174.0850 135 H 4.9100 7.5727 109.4697 55.1714 32.9167 172.9575 136 H 5.0969 8.5626 115.5862 55.4297 29.3069 173.9782 137 H 4.6988 8.0693 117.3342 54.9811 32.6498 172.2224 138 H 4.6442 8.7975 126.3696 54.8480 29.6543 173.5241 139 H 4.6349 8.4248 121.8746 55.6798 28.7519 175.4789 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 8.30 4.43 0.00 2.01 2.12 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 2.51 2.60 0.00 2 L 8.16 4.23 0.00 1.69 1.55 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.14 4.70 0.00 1.56 1.57 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.57 4.45 1.86 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 1.46 0.61 0.87 0.00 0.00 5 T 7.84 4.76 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 6 P 0.00 4.40 0.00 2.29 2.35 0.00 3.70 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 2.07 2.05 0.00 7 D 8.04 4.47 0.00 2.80 2.77 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 8 E 8.13 4.01 0.00 2.10 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 2.38 2.30 0.00 9 L 7.60 4.02 0.00 1.89 1.93 1.05 0.60 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 10 K 7.52 4.30 0.00 2.07 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.63 1.55 7.81 11 S 7.81 4.22 0.00 4.09 4.25 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.50 0.00 2.93 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 13 S 7.83 4.20 0.00 3.91 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 14 V 8.85 4.18 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 0.58 0.00 0.00 0.81 0.00 0.00 15 F 8.14 4.06 0.00 3.29 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 16 E 9.00 4.13 0.00 2.22 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 2.47 2.48 0.00 17 S 8.25 4.30 0.00 3.82 3.90 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 0.00 0.00 0.00 0.00 18 V 7.68 3.73 2.27 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 0.87 0.00 0.00 0.96 0.00 0.00 19 K 7.91 4.15 0.00 1.79 1.86 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.75 7.81 20 T 8.21 3.96 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 1.28 0.00 0.00 21 R 6.85 4.10 0.00 2.14 1.86 0.00 3.24 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 22 P 0.00 4.59 0.00 2.31 2.23 0.00 3.68 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 2.07 1.98 0.00 23 D 8.50 4.76 0.00 2.70 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 24 E 8.00 4.08 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 25 L 7.80 4.03 0.00 1.70 1.74 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.40 4.00 0.00 2.04 1.75 1.00 0.95 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 27 K 7.70 3.98 0.00 2.11 1.85 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 28 Q 7.62 3.98 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 29 D 8.05 4.15 0.00 2.78 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 30 I 7.69 3.91 2.00 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 1.56 1.41 0.92 0.00 0.00 31 L 7.77 4.06 0.00 1.60 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.08 4.07 0.00 2.13 1.59 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 2.10 2.20 0.00 33 A 8.09 4.02 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.05 3.78 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 1.27 0.00 0.00 35 A 7.60 4.05 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 36 D 8.36 4.23 0.00 2.83 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 37 I 7.76 3.75 1.92 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 1.68 1.02 0.98 0.00 0.00 38 I 7.82 3.67 1.82 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 1.35 0.89 0.81 0.00 0.00 39 L 7.52 4.00 0.00 1.89 1.72 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.51 4.19 0.00 1.98 2.04 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 41 V 7.77 3.90 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 1.12 0.00 0.00 0.69 0.00 0.00 42 G 9.14 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.39 4.39 0.00 3.11 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.34 4.44 0.00 2.62 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 0.00 0.00 0.00 0.00 45 F 7.95 5.02 0.00 2.95 2.94 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 46 S 8.59 4.27 0.00 4.03 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.31 4.35 0.00 2.90 2.83 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 48 A 8.81 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.92 4.58 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 50 Y 7.61 4.97 0.00 2.85 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 51 I 7.25 4.30 1.80 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 1.71 0.95 0.81 0.00 0.00 52 P 0.00 4.14 0.00 1.60 1.74 0.00 3.16 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.25 0.00 53 L 7.56 4.24 0.00 1.29 1.37 0.69 0.87 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 54 P 0.00 4.47 0.00 2.24 2.17 0.00 3.28 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.28 0.00 55 E 8.56 4.14 0.00 2.02 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 2.32 2.30 0.00 56 T 7.74 3.98 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 1.43 0.00 0.00 57 V 7.54 3.51 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 0.86 0.00 0.00 0.68 0.00 0.00 58 R 7.42 3.81 0.00 2.05 1.83 0.00 3.07 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 59 L 7.54 3.69 0.00 1.80 1.75 0.71 0.93 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 60 A 7.84 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.03 3.95 0.00 1.83 1.66 0.95 0.53 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 62 L 7.69 4.11 0.00 1.79 1.67 0.60 0.65 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 63 K 8.27 4.20 0.00 2.03 1.94 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.71 1.71 7.81 64 L 8.05 4.04 0.00 1.90 1.81 0.98 0.69 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 65 S 8.68 4.53 0.00 4.16 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 66 Q 7.97 4.06 0.00 2.24 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 67 F 8.18 3.97 0.00 3.10 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 68 Y 8.28 3.83 0.00 3.20 2.94 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 69 A 8.20 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.50 3.64 0.00 1.03 1.42 -0.21 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 71 I 6.57 4.06 1.51 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.10 0.46 0.00 0.00 72 N 7.45 4.73 0.00 2.83 2.87 0.00 0.00 6.63 7.23 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 73 G 7.44 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 7.39 4.50 0.00 2.77 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 0.00 0.00 0.00 0.00 75 E 8.27 4.73 0.00 1.93 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 2.18 2.25 0.00 76 S 7.55 4.63 0.00 4.12 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 77 I 7.68 5.29 1.88 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 1.56 1.36 1.07 0.00 0.00 78 I 8.10 4.75 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.87 0.96 0.00 0.00 79 K 8.64 4.10 0.00 1.52 1.25 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.25 7.81 80 G 8.39 3.62 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 0.00 0.00 0.00 81 Y 8.27 3.46 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.53 4.17 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 1.08 0.00 0.00 83 T 7.87 3.96 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 1.12 0.00 0.00 84 E 8.56 4.08 0.00 1.96 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 2.31 2.30 0.00 85 K 8.52 4.19 0.00 2.04 1.99 0.00 0.96 0.00 0.00 1.58 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 86 I 8.92 4.70 1.91 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 1.24 0.84 0.93 0.00 0.00 87 G 8.54 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 88 D 7.28 4.30 0.00 2.54 2.49 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 0.00 0.00 0.00 0.00 89 Y 8.10 4.35 0.00 3.03 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 90 S 8.80 4.35 0.00 3.55 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.17 3.52 0.00 3.13 2.94 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 92 T 7.71 4.00 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 93 L 7.96 5.01 0.00 1.74 1.57 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.67 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 0.00 0.00 0.00 95 D 8.26 4.72 0.00 2.77 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 96 G 8.05 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 0.00 0.00 0.00 0.00 97 S 7.45 4.76 0.00 4.06 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 98 S 8.17 4.61 0.00 4.09 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 L 8.30 4.00 0.00 1.62 1.69 0.94 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.46 4.66 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 101 K 7.96 2.00 0.00 1.27 1.29 0.00 1.15 0.00 0.00 1.44 0.00 0.00 2.64 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.96 0.21 7.81 102 P 0.00 4.36 0.00 2.16 2.04 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 103 D 8.37 4.69 0.00 2.69 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 0.00 104 V 7.47 4.35 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 1.12 0.00 0.00 1.00 0.00 0.00 105 Y 8.10 4.36 0.00 2.99 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 0.00 106 A 7.96 3.93 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 0.00 107 L 7.69 4.46 0.00 1.88 1.92 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.43 4.53 1.99 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 1.86 1.29 0.99 0.00 0.00 109 K 7.53 3.69 0.00 1.49 1.67 0.00 0.73 0.00 0.00 1.01 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 1.22 7.81 110 D 7.83 4.28 0.00 2.38 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 0.00 0.00 0.00 111 Y 7.99 4.80 0.00 3.04 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 0.00 112 V 7.84 4.15 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 0.99 0.00 0.00 1.00 0.00 0.00 113 K 8.26 3.76 0.00 2.01 1.82 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 114 P 0.00 4.54 0.00 2.25 2.16 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 115 A 8.26 4.81 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.61 5.06 0.00 2.59 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 0.00 117 P 0.00 4.50 0.00 2.15 2.09 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 118 D 8.55 4.73 0.00 2.75 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 0.00 119 L 7.88 3.91 0.00 1.72 1.76 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 120 E 7.22 3.72 0.00 1.87 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 2.24 2.23 0.00 121 G 8.42 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.61 4.54 1.86 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 1.41 0.93 0.91 0.00 0.00 123 E 8.93 3.69 0.00 2.11 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 2.21 2.23 0.00 124 A 7.56 4.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.86 3.76 0.00 1.85 1.82 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.50 7.81 126 V 7.74 3.83 2.09 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 1.01 0.00 0.00 0.94 0.00 0.00 127 R 7.98 4.05 0.00 2.06 1.98 0.00 3.25 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 128 M 7.33 4.31 0.00 2.00 2.19 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 2.67 2.77 0.00 129 R 8.44 4.13 0.00 1.88 2.04 0.00 3.14 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 130 S 7.77 4.79 0.00 3.95 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 0.00 131 I 7.46 4.38 1.93 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 1.48 0.80 1.02 0.00 0.00 132 L 8.59 4.10 0.00 1.66 1.73 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 133 E 7.70 4.50 0.00 1.96 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 134 H 8.49 4.01 0.00 3.19 3.22 0.00 5.76 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.57 4.91 0.00 3.11 3.11 0.00 5.66 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 0.00 136 H 8.56 5.10 0.00 3.08 3.23 0.00 5.70 0.00 0.00 0.00 0.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.07 4.70 0.00 3.00 2.82 0.00 5.68 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 0.00 138 H 8.80 4.64 0.00 3.14 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 H 8.42 4.63 0.00 3.17 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00