NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9166 8.3393 109.7228 44.6428 0.0000 173.6598 1 R 4.0970 7.3717 114.7345 52.4477 32.1648 172.9953 2 P 3.8185 0.0000 0.0000 62.4370 32.5366 177.3262 3 I 4.4093 7.7652 121.9086 59.2284 39.5904 175.3565 4 L 4.5934 8.5546 125.7692 54.6912 42.7982 176.5014 5 E 4.6386 9.6567 122.9217 54.6986 31.9572 175.5297 6 V 4.7427 8.2305 124.4779 60.3495 34.1332 173.3244 7 P 4.3857 0.0000 0.0000 62.9304 32.0890 176.1904 8 E 4.3317 8.8492 122.5654 59.2106 30.6233 176.4208 9 S 5.2581 7.7882 111.0247 57.0385 66.3697 173.8950 10 V 4.5122 8.9851 120.5663 61.5899 34.9935 173.9589 11 T 5.0666 8.7105 123.7086 61.8452 70.5390 173.7940 12 G 4.4041 9.0238 113.0005 43.4222 0.0000 169.7822 13 P 5.1448 0.0000 0.0000 61.3571 33.0357 175.6360 14 W 4.4622 9.0499 134.0995 59.0481 30.7173 176.1108 15 K 3.7304 9.2251 123.8692 56.7353 30.5584 175.6989 16 G 4.6704 7.7318 108.5156 45.3124 0.0000 172.5057 17 D 5.7191 8.5252 119.3718 52.8003 45.0203 175.5286 18 V 4.5759 8.4902 119.0872 60.8058 35.2783 172.4682 19 N 5.1139 8.5407 119.0557 51.8489 40.6016 174.9016 20 L 4.4046 8.6368 124.2850 52.5319 42.4784 174.1878 21 P 4.7800 0.0000 0.0000 62.7730 32.4637 177.2982 22 C 5.0956 9.1418 124.2289 56.0483 42.2989 172.6730 23 T 5.5644 9.0191 116.4561 60.5209 72.5017 172.1703 24 Y 5.3101 8.5192 118.9847 55.9440 41.9840 173.4752 25 D 4.6953 8.7004 120.6216 52.4629 41.6793 174.5109 26 P 4.6402 0.0000 0.0000 62.8363 32.2939 175.6682 27 L 4.7406 8.2157 121.7863 52.5074 43.8426 176.0739 28 Q 4.2425 8.5584 121.7386 57.6990 28.9801 177.2008 29 G 3.9405 9.1593 110.7338 45.4607 0.0000 172.3746 30 Y 4.6986 7.7456 117.1090 56.5939 39.6031 175.0116 31 T 4.7897 8.7328 120.7576 61.5858 71.3424 173.3172 32 Q 4.3190 9.1280 128.6527 56.3975 29.1168 175.7710 33 V 4.4474 8.6373 119.0219 61.3158 34.3378 175.6552 34 L 4.7200 7.3652 121.1664 53.6914 45.6715 174.0277 35 V 4.8028 8.7338 124.7795 61.0673 34.9040 174.2892 36 K 5.3104 9.1652 126.3008 54.4830 36.2776 175.0155 37 W 5.2507 9.4178 123.3484 55.0344 31.9961 174.9059 38 L 5.5609 9.3048 123.4435 52.9530 45.5397 175.7862 39 V 4.5236 8.7682 119.6196 60.0590 34.9972 174.2718 40 Q 4.6457 8.3029 123.2531 54.4185 27.7834 175.0533 41 R 4.1782 8.4533 121.9122 57.5082 31.8927 178.0123 42 G 4.1703 7.4858 104.8312 46.0837 0.0000 175.7691 43 S 4.5126 8.7374 119.7620 59.5006 63.4675 173.4540 44 D 4.9905 7.5970 118.2645 51.5788 44.8132 173.5108 45 P 4.6838 0.0000 0.0000 63.1635 32.2561 175.9031 46 V 4.5928 8.6572 115.1597 59.6823 35.4653 175.0317 47 T 4.6145 8.6313 121.2073 63.7899 68.5295 174.3615 48 I 4.4811 9.1016 119.7571 61.4703 40.2491 175.2405 49 F 5.2874 7.9963 124.2508 56.7637 43.0176 172.5857 50 L 5.0583 8.0390 126.6726 53.1358 45.9010 174.7008 51 R 4.9081 8.9841 126.5800 54.8234 32.6219 174.1252 52 D 4.8988 8.6609 126.8296 52.3167 41.8221 175.7809 53 S 4.1508 8.8248 112.2488 61.1923 63.0883 174.7384 54 S 4.5273 8.2636 114.5220 57.9094 64.0496 174.5351 55 G 3.8705 8.1791 107.2003 44.5662 0.0000 171.8816 56 D 5.0397 8.1668 121.1939 53.2917 43.0503 176.3279 57 H 4.7038 8.4045 118.9795 54.2936 32.5905 172.3302 58 I 4.8511 8.4816 124.7484 60.4885 37.9764 175.9912 59 Q 4.5983 9.1036 125.0108 56.0474 29.7868 175.8722 60 Q 4.5668 8.0389 118.0332 53.7032 32.9768 175.8698 61 A 4.0840 8.7318 124.8792 55.0097 18.6332 179.6653 62 K 4.0360 7.8579 113.5599 59.1324 32.8767 177.1852 63 Y 4.5456 7.7484 116.8205 58.5256 38.6619 175.1670 64 Q 4.3392 7.8379 119.5541 59.0141 28.1826 176.2262 65 G 4.1517 9.2152 111.5908 45.0826 0.0000 172.9552 66 R 4.8885 8.5757 116.8124 54.1687 32.9428 174.7003 67 L 5.0623 7.8332 120.5770 53.5311 44.7033 175.0314 68 H 4.9745 9.1571 122.0677 54.1537 33.9000 172.2743 69 V 4.5381 7.9709 118.8776 60.7542 33.8699 175.4468 70 S 4.4114 8.7863 124.3675 59.6508 62.8402 174.0965 71 H 4.9572 8.4419 114.2599 55.7917 31.4153 174.9895 72 K 4.0125 8.0570 119.1472 58.7723 32.2995 177.2109 73 V 4.0951 7.4785 119.1454 60.3634 32.3168 173.1957 74 P 4.4520 0.0000 0.0000 64.2354 31.7012 176.8594 75 G 2.8710 8.8036 110.0637 45.8756 0.0000 171.9558 76 D 4.9628 7.7028 119.3201 52.9285 41.3564 176.1813 77 V 4.8493 8.3343 123.6503 60.9324 32.2386 176.8100 78 S 4.6303 8.5224 116.3070 58.8838 64.4039 173.5721 79 L 4.1624 8.1336 125.3752 53.7480 43.4567 175.1008 80 Q 4.7887 8.9430 125.8621 54.1816 30.9774 174.1199 81 L 5.1044 8.5566 127.2051 53.1055 44.5682 175.4015 82 S 5.2153 8.8411 120.1838 55.9544 66.2692 173.2635 83 T 3.7766 8.4083 114.2698 63.1649 65.5662 172.2742 84 L 4.2597 8.4713 122.4897 55.0450 42.9007 177.1984 85 E 5.0906 9.4678 123.2072 54.8136 31.8025 177.0114 86 M 4.0195 8.9078 120.7599 58.9539 32.0718 178.2118 87 D 4.6730 8.0345 115.1521 55.6479 41.1250 176.6292 88 D 4.6650 8.1267 119.0268 55.5388 41.2212 176.4677 89 R 4.4382 7.8273 120.6486 56.6536 30.5288 175.5374 90 S 4.5587 8.4272 119.5000 58.4642 66.3693 174.0156 91 H 5.3040 8.2306 118.7566 54.9900 30.0890 174.2951 92 Y 5.3110 9.4548 121.2683 56.5514 41.2157 174.7491 93 T 5.0294 9.1101 119.4059 61.9552 71.9205 172.1395 94 C 3.7497 8.5305 126.9139 54.6949 43.9906 171.7914 95 E 5.0748 8.7159 127.0696 54.3138 32.4669 174.3006 96 V 4.5128 8.5051 126.4306 61.1307 34.8809 174.0533 97 T 4.9600 8.1289 123.3425 61.4760 71.4095 173.1778 98 W 5.4431 9.2348 125.2645 54.9055 33.2907 174.7458 99 Q 4.8078 9.1639 122.6784 55.9796 29.7549 175.6652 100 T 3.9935 8.4746 113.4638 58.9461 71.3712 173.7524 101 P 4.0423 0.0000 0.0000 65.6600 31.2766 177.4071 102 D 4.4544 7.5196 114.9253 54.5910 40.9296 177.3359 103 G 3.9034 8.1652 108.9658 44.9159 0.0000 173.5558 104 N 4.7249 7.7144 117.2298 52.3310 38.7417 173.2768 105 Q 5.2592 8.3231 116.2991 54.2527 31.8304 175.8546 106 V 4.6798 9.0154 115.1682 59.5876 35.8521 174.7259 107 V 4.9648 8.5315 122.6665 61.2983 34.2310 174.8139 108 R 5.0012 9.0958 125.3824 54.5521 34.2938 173.9072 109 D 5.3950 8.5225 120.1131 52.2293 43.2528 174.3358 110 K 4.6707 8.7090 116.5605 55.3775 37.0008 175.1588 111 I 5.0067 8.3418 123.7135 60.0857 39.3746 174.8867 112 T 4.9721 9.2545 119.8901 60.3797 71.4887 171.7469 113 E 4.9978 8.9518 127.2749 54.5700 31.7950 174.1841 114 L 4.9477 8.9808 129.6532 54.0441 43.7790 175.1513 115 R 4.8390 9.0681 125.8389 54.4713 32.9234 175.2605 116 V 4.7360 8.3671 122.4374 61.2588 33.7355 174.1432 117 Q 4.5852 9.0683 130.2097 53.8778 30.9907 175.7193 118 K 4.3344 8.6814 124.6957 56.9703 32.0796 176.6709 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 0 G 8.34 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 1 R 7.37 4.10 0.00 1.80 1.77 0.00 3.12 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.54 0.00 2 P 0.00 3.82 0.00 0.49 0.59 0.00 2.79 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 3 I 7.77 4.41 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.90 0.00 0.00 4 L 8.55 4.59 0.00 1.58 1.66 0.93 1.11 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 5 E 9.66 4.64 0.00 1.95 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 2.25 2.27 0.00 6 V 8.23 4.74 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 0.90 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.39 0.00 2.12 2.02 0.00 3.94 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 8 E 8.85 4.33 0.00 2.05 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 2.42 2.29 0.00 9 S 7.79 5.26 0.00 3.98 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 10 V 8.99 4.51 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 1.02 0.00 0.00 0.94 0.00 0.00 11 T 8.71 5.07 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 1.22 0.00 0.00 12 G 9.02 4.40 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 0.00 13 P 0.00 5.14 0.00 2.16 2.22 0.00 3.82 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 2.06 1.96 0.00 14 W 9.05 4.46 0.00 3.23 3.24 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 15 K 9.23 3.73 0.00 1.46 1.58 0.00 1.15 0.00 0.00 0.82 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 0.21 7.81 16 G 7.73 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.53 5.72 0.00 2.53 2.48 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 18 V 8.49 4.58 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 0.59 0.00 0.00 0.89 0.00 0.00 19 N 8.54 5.11 0.00 2.53 2.70 0.00 0.00 6.90 7.85 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 20 L 8.64 4.40 0.00 0.97 1.57 0.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.78 0.00 1.99 2.01 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 22 C 9.14 5.10 0.00 3.24 3.19 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 23 T 9.02 5.56 4.23 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 1.28 0.00 0.00 24 Y 8.52 5.31 0.00 3.15 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 25 D 8.70 4.70 0.00 2.65 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 26 P 0.00 4.64 0.00 2.14 2.13 0.00 3.67 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 2.00 1.98 0.00 27 L 8.22 4.74 0.00 1.41 1.49 0.43 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.56 4.24 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.68 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 29 G 9.16 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 0.00 0.00 0.00 30 Y 7.75 4.70 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.73 4.79 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 1.28 0.00 0.00 32 Q 9.13 4.32 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 33 V 8.64 4.45 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 0.77 0.00 0.00 0.96 0.00 0.00 34 L 7.37 4.72 0.00 1.65 1.32 0.93 0.76 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 35 V 8.73 4.80 2.28 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 1.12 0.00 0.00 0.98 0.00 0.00 36 K 9.17 5.31 0.00 1.63 1.66 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.35 7.81 37 W 9.42 5.25 0.00 3.37 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 38 L 9.30 5.56 0.00 1.64 1.63 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.77 4.52 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 0.76 0.00 0.00 0.09 0.00 0.00 40 Q 8.30 4.65 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 41 R 8.45 4.18 0.00 1.84 1.97 0.00 3.37 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 42 G 7.49 4.17 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 0.00 0.00 0.00 43 S 8.74 4.51 0.00 3.87 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 44 D 7.60 4.99 0.00 2.50 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 45 P 0.00 4.68 0.00 2.08 2.06 0.00 3.70 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 1.99 2.00 0.00 46 V 8.66 4.59 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 0.74 0.00 0.00 0.98 0.00 0.00 47 T 8.63 4.61 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 1.30 0.00 0.00 48 I 9.10 4.48 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 1.09 0.00 0.00 49 F 8.00 5.29 0.00 3.15 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 50 L 8.04 5.06 0.00 1.65 1.24 0.87 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.98 4.91 0.00 2.16 1.90 0.00 3.23 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 52 D 8.66 4.90 0.00 2.87 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 53 S 8.82 4.15 0.00 4.00 4.05 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 54 S 8.26 4.53 0.00 4.05 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 55 G 8.18 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.17 5.04 0.00 2.56 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.40 4.70 0.00 2.86 3.08 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.48 4.85 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 1.11 0.00 0.00 59 Q 9.10 4.60 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 60 Q 8.04 4.57 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 61 A 8.73 4.08 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 K 7.86 4.04 0.00 1.66 1.79 0.00 1.33 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.88 0.42 7.81 63 Y 7.75 4.55 0.00 3.23 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 64 Q 7.84 4.34 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.62 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 65 G 9.22 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 0.00 0.00 0.00 0.00 66 R 8.58 4.89 0.00 1.95 1.98 0.00 3.37 0.00 0.00 3.21 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 67 L 7.83 5.06 0.00 1.59 1.56 0.44 0.76 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 68 H 9.16 4.97 0.00 2.98 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.97 4.54 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 0.84 0.00 0.00 -0.41 0.00 0.00 70 S 8.79 4.41 0.00 3.85 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 71 H 8.44 4.96 0.00 3.21 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.06 4.01 0.00 1.69 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.19 7.81 73 V 7.48 4.10 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 0.97 0.00 0.00 0.90 0.00 0.00 74 P 0.00 4.45 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 75 G 8.80 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 0.00 0.00 0.00 76 D 7.70 4.96 0.00 2.59 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.33 4.85 2.25 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 0.87 0.00 0.00 1.10 0.00 0.00 78 S 8.52 4.63 0.00 3.78 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 79 L 8.13 4.16 0.00 0.27 0.13 0.10 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.94 4.79 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.11 0.00 81 L 8.56 5.10 0.00 1.52 1.36 0.98 0.51 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 82 S 8.84 5.22 0.00 3.98 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 83 T 8.41 3.78 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 1.13 0.00 0.00 84 L 8.47 4.26 0.00 1.91 1.70 0.99 0.89 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 85 E 9.47 5.09 0.00 2.13 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 2.47 2.45 0.00 86 M 8.91 4.02 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 87 D 8.03 4.67 0.00 2.71 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 88 D 8.13 4.66 0.00 2.95 2.90 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 89 R 7.83 4.44 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 90 S 8.43 4.56 0.00 3.83 3.31 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 91 H 8.23 5.30 0.00 3.20 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 9.45 5.31 0.00 3.05 3.26 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 93 T 9.11 5.03 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 1.20 0.00 0.00 94 C 8.53 3.75 0.00 1.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.72 5.07 0.00 1.90 1.60 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 2.06 2.13 0.00 96 V 8.51 4.51 1.14 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 -0.51 0.00 0.00 0.73 0.00 0.00 97 T 8.13 4.96 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 1.19 0.00 0.00 98 W 9.23 5.44 0.00 3.37 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 9.16 4.81 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.64 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 100 T 8.47 3.99 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 1.35 0.00 0.00 101 P 0.00 4.04 0.00 1.92 2.06 0.00 3.03 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 102 D 7.52 4.45 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 8.17 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 0.00 0.00 0.00 104 N 7.71 4.72 0.00 2.93 2.98 0.00 0.00 6.02 7.70 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 0.00 105 Q 8.32 5.26 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 106 V 9.02 4.68 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 0.80 0.00 0.00 1.17 0.00 0.00 107 V 8.53 4.96 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 0.82 0.00 0.00 0.94 0.00 0.00 108 R 9.10 5.00 0.00 1.99 1.84 0.00 3.31 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 109 D 8.52 5.40 0.00 2.61 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.71 4.67 0.00 1.67 1.68 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.43 7.81 111 I 8.34 5.01 1.91 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 1.26 0.57 1.04 0.00 0.00 112 T 9.25 4.97 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 1.46 0.00 0.00 113 E 8.95 5.00 0.00 2.05 1.81 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 2.22 2.11 0.00 114 L 8.98 4.95 0.00 1.71 1.71 0.87 0.56 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 0.00 115 R 9.07 4.84 0.00 1.77 1.81 0.00 3.14 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 116 V 8.37 4.74 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 0.93 0.00 0.00 1.06 0.00 0.00 117 Q 9.07 4.59 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 118 K 8.68 4.33 0.00 1.77 1.76 0.00 1.55 0.00 0.00 1.32 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.99 1.22 7.81