NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3913 8.1585 120.3218 55.0000 33.4843 176.1965 2 A 3.8443 8.5181 126.6992 54.8965 19.0132 177.6993 3 N 4.2694 8.8315 113.3728 55.5300 39.6864 174.1223 4 C 4.8972 7.3570 114.3082 58.5275 29.0323 173.7219 5 E 4.1462 8.1382 121.1021 56.6279 30.3377 175.8119 6 R 5.2199 8.4846 123.6142 54.7486 34.0865 174.4143 7 T 4.7415 8.7306 115.5773 60.3410 71.8566 171.9812 8 F 5.2632 8.6672 127.7884 56.7966 41.3194 174.3876 9 I 4.6140 8.2040 126.7794 59.1490 40.2255 174.2411 10 A 4.6538 8.2445 128.5469 49.8672 21.8306 174.9146 11 I 4.4270 8.5924 124.8132 60.4541 38.4883 176.4145 12 K 4.4432 9.2155 127.4445 55.2814 33.1702 176.5181 13 P 4.5800 0.0000 0.0000 65.3342 31.0654 178.7204 14 D 4.5380 8.0813 116.9103 56.2077 39.3419 178.9681 15 G 3.5843 8.1652 107.4944 47.5297 0.0000 176.0112 16 V 3.6323 7.7302 120.1996 66.0126 31.5343 178.0277 17 Q 4.1144 8.2119 116.6489 58.5516 28.5626 178.0432 18 R 4.4461 7.7925 116.5942 54.9967 30.9487 176.3328 19 G 3.7775 7.8301 105.6573 47.6441 0.0000 175.1561 20 L 4.3814 7.7061 116.4369 53.8045 42.8574 178.0940 21 V 3.6666 7.7248 119.9507 66.0518 31.4937 177.9212 22 G 3.6125 7.9764 104.7078 47.9325 0.0000 175.1941 23 E 4.0045 8.0553 120.9192 59.0692 28.9585 179.4852 24 I 3.8020 7.7539 119.6762 64.5617 37.1596 178.5283 25 I 3.9822 7.7780 120.4606 64.3590 36.8737 178.2587 26 K 3.9411 8.2310 120.4518 59.6649 31.4388 178.8906 27 R 3.8351 7.8885 117.7748 59.4416 29.4869 179.1123 28 F 3.8071 7.8111 116.5947 60.0403 38.6127 177.8044 29 E 4.2292 8.4761 118.7895 59.6266 29.1852 179.5112 30 Q 4.0504 8.0941 116.1565 58.9500 28.6488 178.0700 31 K 3.8922 7.3674 120.5308 58.6141 32.2683 177.1848 32 G 3.9173 7.4680 103.9876 44.9207 0.0000 173.9839 33 F 5.0097 7.4695 118.2389 57.6546 39.9735 174.6895 34 R 4.8328 9.2977 122.9926 54.5584 31.9886 175.0609 35 L 3.3669 8.6590 129.0247 54.8661 42.2560 176.4421 36 V 4.4471 8.4249 124.8492 62.0457 34.4856 175.8244 37 G 4.1273 7.2996 106.7402 44.1954 0.0000 171.5916 38 L 5.2652 8.5496 124.8098 53.5753 45.3725 174.7504 39 K 4.6806 9.3603 126.9469 55.2023 36.1851 173.9659 40 F 5.4598 8.9169 130.0967 57.0579 40.5719 174.4141 41 M 4.5788 8.3582 122.1762 54.2087 35.0199 173.3781 42 Q 4.5291 8.2841 121.6060 54.2521 30.1887 175.0522 43 A 3.9922 8.5494 130.8425 51.7392 19.2362 177.7485 44 S 4.4121 8.2655 118.2588 57.9724 65.3572 175.2706 45 E 3.8742 8.4485 122.2910 59.6398 29.0518 179.3616 46 D 4.3116 7.9311 118.4601 57.2781 40.8978 178.4759 47 L 3.7229 7.4920 120.8813 58.0598 41.9514 179.0517 48 L 4.0603 7.8142 118.9951 57.6628 41.6689 179.5996 49 K 4.3575 8.3421 118.7205 59.5150 31.7537 178.9917 50 E 4.1138 7.8592 118.9877 59.2521 29.6217 177.9515 51 H 4.3036 8.2326 117.8450 58.4803 30.3540 176.1486 52 Y 4.9957 8.2948 118.7756 57.8790 39.0890 178.5065 53 V 3.8742 7.8542 123.9070 64.4923 31.4305 176.4005 54 D 4.4853 8.1849 117.2795 55.9588 41.2294 176.5927 55 L 4.7208 7.9779 119.0102 54.0787 42.3499 178.5129 56 K 2.0000 7.4092 120.4482 58.5237 32.3825 177.4550 57 D 4.5450 7.4674 116.7857 54.0044 41.7341 176.7116 58 R 4.0301 7.2535 119.4624 54.8414 30.5677 175.9010 59 P 4.3608 0.0000 0.0000 64.7414 31.8164 176.9583 60 F 4.7010 7.2502 113.2641 56.9887 38.9754 177.2005 61 F 4.1226 7.9161 124.2370 61.5422 39.0940 176.6360 62 A 3.9649 8.1293 119.9618 55.2405 18.2995 179.7601 63 G 3.5815 8.0374 103.7518 47.5738 0.0000 175.6382 64 L 3.9526 7.9931 122.6533 58.0074 41.9415 179.2456 65 V 3.4856 7.2108 116.7623 65.7640 31.3732 177.4556 66 K 4.0442 7.9508 119.3985 59.7008 32.0202 178.1528 67 Y 4.1506 8.1165 119.6795 61.0168 38.6300 177.5210 68 M 4.0055 7.9694 117.3269 57.2301 31.8816 176.9600 69 H 4.6634 7.7150 117.7174 56.6048 30.4401 176.0429 70 S 4.3201 7.7519 114.7334 59.6795 63.2634 173.6571 71 G 4.0937 6.5731 110.5806 43.3836 0.0000 170.8298 72 P 4.4453 0.0000 0.0000 62.6491 32.8297 175.6502 73 V 4.6076 8.9541 114.3544 59.6512 36.0045 174.9901 74 V 4.8514 8.4364 122.3899 61.4268 33.1862 174.2375 75 A 4.6531 8.9549 131.3045 51.3963 20.2915 175.8744 76 M 5.3679 8.9037 121.0294 53.5562 37.1885 174.3916 77 V 4.7358 8.2206 121.2305 60.8761 34.7575 174.3445 78 W 5.1610 8.8262 126.8747 54.7646 32.6021 173.9275 79 E 5.1980 10.0929 124.3659 53.5931 32.1598 175.3035 80 G 4.5921 8.5441 114.8897 45.4741 0.0000 171.2740 81 L 4.4324 8.8966 123.1313 55.2790 42.6475 176.5433 82 N 4.4450 9.1842 124.0538 53.9062 36.6044 176.8468 83 V 3.2202 7.5450 119.8814 64.5746 31.4120 177.3831 84 V 3.5142 7.8161 118.6199 65.8056 31.5560 177.9540 85 K 3.9700 7.9194 118.7257 59.9169 32.1477 178.8558 86 T 4.0655 8.3491 116.4595 66.4223 68.3622 176.8635 87 G 3.7111 8.2300 107.9548 48.0989 0.0000 175.9308 88 R 3.9833 7.9186 120.0945 58.8259 29.7983 179.3929 89 V 3.5966 7.3975 116.8748 66.3000 31.8192 177.7472 90 M 4.1070 8.2743 118.6790 58.3045 31.6909 178.7940 91 L 4.0530 8.1231 119.4542 55.0958 41.7266 178.3290 92 G 4.1984 7.5992 103.3965 44.3405 0.0000 172.5705 93 E 4.0804 8.3522 117.5832 56.6849 29.9602 177.7840 94 T 3.9045 8.6832 119.2563 66.6831 68.8685 174.2079 95 N 4.5551 8.0304 121.3786 52.1443 39.0302 173.5436 96 P 4.4246 0.0000 0.0000 64.6926 31.7408 178.7110 97 A 4.0187 7.8766 120.8156 54.6770 18.2715 177.8388 98 D 4.7147 7.9459 113.1746 54.4612 41.7617 177.1600 99 S 4.2849 7.6209 117.0090 58.1815 63.7660 173.9240 100 K 4.3047 8.3449 123.8184 54.7934 32.9669 174.7809 101 P 4.4545 0.0000 0.0000 64.2958 31.7249 176.0887 102 G 4.0032 9.4652 111.1854 45.8655 0.0000 174.8334 103 T 4.3987 7.4946 109.6635 60.5111 71.5153 175.9341 104 I 3.8196 8.2532 122.7132 64.9563 37.2484 179.2217 105 R 4.1539 8.2851 118.9337 59.0828 29.6329 179.3577 106 G 3.5910 7.8152 104.8178 47.8559 0.0000 175.0224 107 D 4.2927 7.8316 119.9007 55.3954 41.0513 177.2570 108 F 5.1330 7.7840 114.5283 57.2083 40.7785 174.1994 109 C 4.9117 7.9709 113.6688 57.1236 32.8697 173.1572 110 I 4.2944 8.4410 117.5949 62.4748 39.1323 175.9075 111 Q 4.6696 7.6243 120.6476 53.6887 30.9052 176.5134 112 V 3.6683 8.4269 123.8293 64.6580 31.5741 177.8414 113 G 3.5818 7.9688 108.0989 47.4746 0.0000 173.5700 114 R 4.6327 7.6210 117.9249 54.5951 30.2683 174.6953 115 N 4.8811 8.0180 113.0530 52.1807 38.6848 178.2034 116 I 2.7708 8.3487 112.8861 63.6028 38.7934 172.9365 117 I 5.0827 8.5433 118.8720 59.8720 41.3473 173.5377 118 H 5.0655 9.4430 126.3073 54.4425 33.4147 172.3110 119 G 4.3225 8.1800 109.9160 44.0390 0.0000 172.3537 120 S 4.5495 8.3667 118.8003 58.9076 62.9038 174.6616 121 D 4.5940 8.9835 123.0914 54.8292 40.2136 176.4187 122 S 4.6302 7.4773 113.9362 56.1006 67.0879 175.0183 123 V 3.5702 8.3213 121.2705 65.9542 31.1614 177.5040 124 E 3.9391 8.1526 118.5905 59.6018 29.5569 178.9339 125 S 4.1817 8.2047 114.8996 61.2826 62.7553 176.4951 126 A 4.0602 8.2813 123.7076 55.3807 18.2294 179.4628 127 E 3.9265 8.2533 117.0040 59.4504 29.5893 179.6736 128 K 3.9639 7.9245 119.2041 59.6138 32.2860 178.8585 129 E 4.0228 8.6506 119.3495 59.3011 29.3238 179.3748 130 I 3.9005 8.2323 120.4765 64.4535 36.9920 178.8080 131 G 3.6262 7.7714 104.8349 47.3989 0.0000 175.3133 132 L 4.0455 7.5784 121.3877 57.8312 42.3123 178.5841 133 W 4.0681 8.2045 117.2677 57.1684 29.5606 176.6225 134 F 4.9766 7.8803 116.1713 55.6983 41.5433 174.5935 135 H 4.7879 9.2203 121.3355 54.3522 29.7965 174.8239 136 P 4.2745 0.0000 0.0000 65.8471 31.2497 178.1007 137 E 4.2666 8.1061 113.1311 57.7167 29.9562 177.1150 138 E 4.2619 8.2625 118.7449 57.6471 30.0168 176.1610 139 L 4.5664 7.5733 119.8997 53.5839 42.5431 176.2136 140 V 4.3533 8.7149 125.1412 61.4045 33.0549 174.5125 141 D 5.1433 8.6298 127.5703 52.8532 42.4573 175.2451 142 Y 4.7923 8.1279 119.5494 56.5026 40.6308 173.5741 143 T 4.4392 8.3041 117.3485 61.4779 70.5312 174.9200 144 S 4.4438 8.4591 121.4666 58.1360 63.0729 174.6697 145 C 4.2903 8.9057 121.3094 60.4326 29.8177 174.0448 146 A 4.8233 7.9370 122.3579 52.0866 19.1792 177.9615 147 Q 4.0970 8.2307 120.4957 60.4494 28.7862 178.8637 148 N 4.2913 8.1216 114.6335 55.0683 38.6628 176.2647 149 W 4.7193 7.7820 118.5129 57.3023 29.7981 177.6058 150 I 3.9516 7.5784 118.8187 61.6213 37.7203 175.3069 151 Y 4.8838 7.4537 115.5748 55.6682 40.9038 175.5284 152 E 4.1333 8.8771 120.9609 56.8542 29.5410 176.9994 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 8.16 4.39 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 2 A 8.52 3.84 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 3 N 8.83 4.27 0.00 2.43 2.09 0.00 0.00 7.05 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 7.36 4.90 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 5 E 8.14 4.15 0.00 2.15 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 0.00 2.38 2.36 0.00 6 R 8.48 5.22 0.00 1.66 1.73 0.00 3.14 0.00 0.00 3.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 7 T 8.73 4.74 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 8 F 8.67 5.26 0.00 3.18 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 9 I 8.20 4.61 1.62 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.26 0.70 0.00 0.00 10 A 8.24 4.65 0.65 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 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.59 4.43 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.94 0.00 0.00 12 K 9.22 4.44 0.00 1.87 1.89 0.00 1.92 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.55 1.50 7.81 13 P 0.00 4.58 0.00 1.87 1.95 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 14 D 8.08 4.54 0.00 3.08 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.17 3.58 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 0.00 16 V 7.73 3.63 2.30 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 1.29 0.00 0.00 1.15 0.00 0.00 17 Q 8.21 4.11 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 18 R 7.79 4.45 0.00 1.90 1.95 0.00 3.32 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 19 G 7.83 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 20 L 7.71 4.38 0.00 1.71 1.40 0.86 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.72 3.67 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 1.06 0.00 0.00 0.95 0.00 0.00 22 G 7.98 3.61 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 0.00 23 E 8.06 4.00 0.00 1.84 1.91 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 2.29 2.04 0.00 24 I 7.75 3.80 2.04 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 1.61 1.09 1.03 0.00 0.00 25 I 7.78 3.98 2.01 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 1.71 0.91 1.30 0.00 0.00 26 K 8.23 3.94 0.00 2.01 2.07 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 27 R 7.89 3.84 0.00 1.96 1.75 0.00 3.30 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 28 F 7.81 3.81 0.00 2.00 1.45 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 0.00 0.00 0.00 0.00 29 E 8.48 4.23 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.92 0.00 30 Q 8.09 4.05 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 31 K 7.37 3.89 0.00 1.66 1.79 0.00 1.40 0.00 0.00 1.49 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.95 0.66 7.81 32 G 7.47 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 0.00 0.00 0.00 33 F 7.47 5.01 0.00 3.30 3.27 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 34 R 9.30 4.83 0.00 1.98 1.79 0.00 2.26 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.49 0.00 35 L 8.66 3.37 0.00 1.39 1.37 0.76 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.42 4.45 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 0.75 0.00 0.00 0.82 0.00 0.00 37 G 7.30 4.13 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 0.00 0.00 0.00 38 L 8.55 5.27 0.00 1.51 1.50 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 K 9.36 4.68 0.00 1.88 1.52 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.40 7.81 40 F 8.92 5.46 0.00 2.98 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 41 M 8.36 4.58 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 42 Q 8.28 4.53 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 43 A 8.55 3.99 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 44 S 8.27 4.41 0.00 3.99 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 45 E 8.45 3.87 0.00 1.92 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 2.16 2.02 0.00 46 D 7.93 4.31 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 47 L 7.49 3.72 0.00 1.38 1.47 0.37 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.81 4.06 0.00 1.78 1.90 1.05 1.42 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 49 K 8.34 4.36 0.00 2.08 2.06 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.78 1.61 7.81 50 E 7.86 4.11 0.00 1.86 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 2.26 2.31 0.00 51 H 8.23 4.30 0.00 3.19 3.29 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.29 5.00 0.00 3.46 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 53 V 7.85 3.87 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 1.09 0.00 0.00 0.91 0.00 0.00 54 D 8.18 4.49 0.00 2.77 2.82 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 55 L 7.98 4.72 0.00 1.93 1.65 1.30 0.76 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 56 K 7.41 2.00 0.00 0.90 1.40 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.11 7.81 57 D 7.47 4.55 0.00 2.55 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 58 R 7.25 4.03 0.00 0.89 1.04 0.00 3.21 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 59 P 0.00 4.36 0.00 2.22 2.18 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 60 F 7.25 4.70 0.00 3.25 3.36 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 61 F 7.92 4.12 0.00 3.13 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 62 A 8.13 3.96 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 63 G 8.04 3.58 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 0.00 64 L 7.99 3.95 0.00 1.92 1.80 0.74 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.21 3.49 1.70 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 0.73 0.00 0.00 0.27 0.00 0.00 66 K 7.95 4.04 0.00 1.99 1.97 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 67 Y 8.12 4.15 0.00 3.13 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 68 M 7.97 4.01 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 69 H 7.71 4.66 0.00 3.27 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.75 4.32 0.00 4.07 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 71 G 6.57 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 72 P 0.00 4.45 0.00 1.36 1.74 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 73 V 8.95 4.61 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.12 0.00 0.00 74 V 8.44 4.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.19 0.00 0.00 75 A 8.95 4.65 1.41 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 0.00 0.00 76 M 8.90 5.37 0.00 1.76 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 77 V 8.22 4.74 1.70 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 0.89 0.00 0.00 0.27 0.00 0.00 78 W 8.83 5.16 0.00 3.07 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 79 E 10.09 5.20 0.00 1.96 1.78 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 2.21 2.49 0.00 80 G 8.54 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.90 4.43 0.00 2.02 1.96 1.04 1.02 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 82 N 9.18 4.44 0.00 3.09 2.91 0.00 0.00 6.88 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 83 V 7.55 3.22 1.91 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 0.81 0.00 0.00 -0.02 0.00 0.00 84 V 7.82 3.51 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 1.05 0.00 0.00 0.96 0.00 0.00 85 K 7.92 3.97 0.00 1.89 1.82 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.55 7.81 86 T 8.35 4.07 4.54 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 87 G 8.23 3.71 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 0.00 0.00 0.00 88 R 7.92 3.98 0.00 2.05 2.01 0.00 3.30 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 89 V 7.40 3.60 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 0.81 0.00 0.00 1.01 0.00 0.00 90 M 8.27 4.11 0.00 1.72 1.97 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.38 0.00 91 L 8.12 4.05 0.00 2.01 1.74 1.13 0.77 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 92 G 7.60 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 0.00 0.00 0.00 0.00 93 E 8.35 4.08 0.00 2.12 1.92 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 2.32 2.39 0.00 94 T 8.68 3.90 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 1.26 0.00 0.00 95 N 8.03 4.56 0.00 2.71 2.71 0.00 0.00 7.18 7.71 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 96 P 0.00 4.42 0.00 2.36 2.20 0.00 3.97 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 97 A 7.88 4.02 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 98 D 7.95 4.71 0.00 2.78 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 99 S 7.62 4.28 0.00 4.04 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 0.00 100 K 8.34 4.30 0.00 1.75 1.68 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.38 7.81 101 P 0.00 4.45 0.00 1.98 1.92 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 102 G 9.47 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 0.00 0.00 0.00 103 T 7.49 4.40 4.41 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 1.26 0.00 0.00 104 I 8.25 3.82 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.05 1.10 0.00 0.00 105 R 8.29 4.15 0.00 1.97 2.00 0.00 3.39 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 106 G 7.82 3.59 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 0.00 0.00 0.00 107 D 7.83 4.29 0.00 1.67 1.64 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 0.00 108 F 7.78 5.13 0.00 3.20 2.96 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 0.00 109 C 7.97 4.91 0.00 3.19 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 0.00 110 I 8.44 4.29 1.88 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 1.31 0.70 0.91 0.00 0.00 111 Q 7.62 4.67 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 112 V 8.43 3.67 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 0.70 0.00 0.00 0.94 0.00 0.00 113 G 7.97 3.58 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 0.00 114 R 7.62 4.63 0.00 1.75 1.99 0.00 3.34 0.00 0.00 2.99 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 115 N 8.02 4.88 0.00 2.90 3.12 0.00 0.00 5.96 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 0.00 116 I 8.35 2.77 1.93 0.00 0.00 1.00 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 0.66 1.07 0.00 0.00 117 I 8.54 5.08 1.92 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 1.12 0.93 1.03 0.00 0.00 118 H 9.44 5.07 0.00 3.32 3.05 0.00 5.78 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 0.00 119 G 8.18 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 0.00 0.00 0.00 0.00 120 S 8.37 4.55 0.00 3.83 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 0.00 121 D 8.98 4.59 0.00 2.80 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 0.00 122 S 7.48 4.63 0.00 4.04 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 0.00 123 V 8.32 3.57 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 1.03 0.00 0.00 0.95 0.00 0.00 124 E 8.15 3.94 0.00 2.09 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 2.40 2.42 0.00 125 S 8.20 4.18 0.00 4.14 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 0.00 126 A 8.28 4.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.93 0.00 2.20 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 2.34 2.50 0.00 128 K 7.92 3.96 0.00 1.82 1.98 0.00 1.63 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 1.44 1.48 7.81 129 E 8.65 4.02 0.00 2.10 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 2.44 2.47 0.00 130 I 8.23 3.90 1.96 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 1.52 0.76 0.92 0.00 0.00 131 G 7.77 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 0.00 0.00 0.00 132 L 7.58 4.05 0.00 1.73 1.84 0.78 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.20 4.07 0.00 3.11 3.09 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 0.00 134 F 7.88 4.98 0.00 3.20 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 0.00 135 H 9.22 4.79 0.00 3.31 3.37 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.27 0.00 2.21 2.15 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 137 E 8.11 4.27 0.00 2.10 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 0.00 2.32 2.29 0.00 138 E 8.26 4.26 0.00 2.45 2.35 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 2.44 2.40 0.00 139 L 7.57 4.57 0.00 1.56 1.53 0.89 0.89 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 0.00 140 V 8.71 4.35 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 0.82 0.00 0.00 0.95 0.00 0.00 141 D 8.63 5.14 0.00 2.61 2.58 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 0.00 142 Y 8.13 4.79 0.00 3.05 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 0.00 143 T 8.30 4.44 4.30 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 1.24 0.00 0.00 144 S 8.46 4.44 0.00 3.93 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 0.00 145 C 8.91 4.29 0.00 3.21 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 0.00 146 A 7.94 4.82 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.23 4.10 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.35 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 148 N 8.12 4.29 0.00 2.30 2.38 0.00 0.00 6.84 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 0.00 149 W 7.78 4.72 0.00 3.38 3.18 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 0.00 150 I 7.58 3.95 1.65 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 1.53 0.67 0.10 0.00 0.00 151 Y 7.45 4.88 0.00 2.91 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 0.00 152 E 8.88 4.13 0.00 1.99 1.87 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 2.32 2.33 0.00