NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5422 8.2229 123.6038 51.9568 21.0389 179.2034 2 E 4.6190 8.4176 115.5764 60.9346 29.2053 182.6896 3 A 4.1636 8.7734 121.2174 55.1978 19.0873 179.3233 4 W 3.9550 8.1103 117.0583 59.9200 29.2142 177.9162 5 Y 4.4705 9.7666 119.8454 61.1116 38.2356 178.1244 6 N 4.2409 8.4832 117.3465 56.0927 38.6215 177.2258 7 L 3.9088 8.2206 122.1861 57.7225 41.9662 179.3161 8 G 3.2073 8.2937 106.1420 47.7582 0.0000 175.2206 9 N 4.5124 8.3519 120.6774 55.1904 38.5534 177.2504 10 A 3.9119 7.8729 121.8489 55.5267 18.4627 179.3653 11 Y 3.9912 7.7407 114.7636 61.1228 37.8993 178.0844 12 Y 3.9878 8.3273 120.7510 60.8772 38.8295 178.4547 13 K 4.1750 8.7709 118.0550 59.3028 32.1793 178.6091 14 Q 4.1614 7.8406 118.8000 56.9096 29.0049 176.4972 15 G 3.6272 7.6304 107.8577 45.4432 0.0000 174.2492 16 D 4.5243 8.0688 121.6843 52.0193 40.2132 176.4845 17 Y 4.2746 7.0030 123.1957 61.4039 38.3278 178.0688 18 D 4.2448 7.9894 121.5755 58.7123 40.0462 181.0118 19 E 3.6823 7.7950 119.5521 58.5950 29.3013 179.1304 20 A 3.8203 8.0148 121.2301 55.0716 18.3815 179.5061 21 I 3.5775 8.0422 121.0655 65.2873 37.1849 178.7840 22 E 3.7108 7.5035 118.2872 61.6819 29.3511 180.9568 23 Y 4.7128 7.3189 117.0769 60.8487 37.8757 177.8080 24 Y 4.5310 8.0998 118.0826 61.0786 37.9060 178.3878 25 Q 3.9105 8.5751 121.9074 59.4972 28.7461 179.5169 26 K 3.6266 7.8284 124.3914 59.8012 31.5884 180.7519 27 A 4.3291 8.0894 121.8964 54.7520 18.0700 179.6844 28 L 4.1549 7.6649 120.7486 57.4472 41.6666 179.6740 29 E 4.1022 7.8400 117.9920 61.1344 29.7462 182.6684 30 L 4.6512 7.5250 118.6028 56.2022 42.3933 177.0348 31 D 4.4654 7.9846 118.3970 53.2506 42.0850 172.3731 32 P 4.7557 0.0000 0.0000 63.3775 31.6299 177.6744 33 R 4.6036 8.2627 116.7935 57.2622 30.1678 180.0991 34 S 4.7950 7.8948 119.0522 59.7125 64.1070 178.9805 35 A 4.5102 8.7762 131.9978 54.6967 18.2157 179.9376 36 E 4.0258 8.1663 116.3406 61.3034 29.9250 181.9270 37 A 4.1314 7.7758 121.6863 54.7839 18.4360 179.6401 38 W 4.0604 8.0141 116.9465 59.8868 29.0562 178.1073 39 Y 4.4222 8.4136 119.5018 61.1342 38.2774 178.0821 40 N 3.9128 8.3494 117.3716 55.8970 38.6195 177.2478 41 L 4.0403 7.7070 122.1045 57.8920 42.0334 179.3182 42 G 3.3410 8.0256 105.8615 47.6114 0.0000 175.4666 43 N 4.9330 8.3690 120.1488 55.5086 38.5675 177.1500 44 A 4.2440 8.4835 122.5511 55.7080 18.5108 179.3464 45 Y 3.9613 7.8240 114.6399 61.2531 37.8579 177.7297 46 Y 3.8839 8.3850 120.8286 61.0396 38.6733 178.4807 47 K 3.7946 8.2928 118.7177 59.4263 32.1353 178.5791 48 Q 4.1280 7.5340 117.7957 57.0557 29.1557 176.6597 49 G 3.5156 7.9572 107.9801 45.7654 0.0000 174.7792 50 D 4.5187 7.4059 121.3450 52.8685 39.0771 176.3302 51 Y 4.2455 7.2980 121.2576 60.4471 38.0974 177.1494 52 D 4.2053 7.9576 120.1262 57.4202 40.7534 178.2990 53 E 3.5877 7.8916 118.1744 58.9244 29.3542 179.3618 54 A 3.9139 7.6965 121.0986 55.2660 18.5102 179.6993 55 I 3.7522 7.6122 118.3085 64.4396 36.9763 178.3928 56 E 3.6956 7.5393 119.5359 59.7268 29.2221 179.0707 57 Y 4.3773 7.0981 115.8760 60.9809 38.0918 177.6725 58 Y 4.5533 8.0702 117.8179 61.0070 37.7685 178.5103 59 Q 3.8762 8.3758 121.8315 59.3430 28.6620 179.3257 60 K 3.7948 7.6795 124.2772 59.5663 31.5556 180.9020 61 A 4.2220 7.9795 122.0586 55.0566 18.1136 179.7775 62 L 3.7594 7.7134 117.4514 57.5846 41.2541 179.6791 63 E 3.9187 7.5045 117.7053 59.5280 29.5477 179.1662 64 L 4.2692 7.2764 117.4140 56.6209 43.1291 177.3500 65 D 4.6887 8.0100 118.1019 51.8315 41.5800 173.5312 66 P 4.5367 0.0000 0.0000 64.0367 31.8270 177.9779 67 R 4.5403 7.8381 115.1097 55.9089 29.7238 182.3235 68 S 4.3816 7.9767 113.6890 58.2773 62.5839 174.3433 69 A 4.2386 8.6113 131.7964 55.4524 18.3545 178.3984 70 E 3.9072 8.2664 116.3874 59.9945 29.5568 179.7997 71 A 4.0823 7.6579 119.7336 54.7294 18.3360 179.7929 72 W 4.2644 7.8225 117.7628 60.0011 29.1077 178.2530 73 Y 4.3688 8.8555 119.9849 60.9552 38.3226 177.6536 74 N 4.0499 8.8762 117.6800 55.7543 38.6097 177.2635 75 L 4.0799 7.7737 122.3263 57.7376 42.0224 179.1809 76 G 3.3447 8.1409 105.7559 47.8622 0.0000 175.1807 77 N 4.4572 8.3975 120.8185 55.1910 38.3304 177.1434 78 A 4.4157 7.9468 120.7892 55.6255 18.7725 179.0890 79 Y 3.9782 7.9780 114.5505 61.2968 38.0148 177.6725 80 Y 4.0677 9.0059 124.1973 61.5790 38.6819 179.1486 81 K 4.1103 8.7442 124.2575 58.8559 31.7613 180.1832 82 Q 4.5275 8.2592 118.2817 57.3479 29.2115 181.8911 83 G 3.5093 7.7059 110.8974 46.9405 0.0000 175.8432 84 D 4.5975 7.3075 123.3929 54.5046 36.9052 181.8030 85 Y 4.5296 7.5288 125.3936 61.1084 38.4786 178.4319 86 D 4.2713 8.0803 124.5057 59.1553 40.2385 183.4518 87 E 3.7533 7.9000 119.4472 60.4136 29.6542 180.7735 88 A 4.0697 7.9778 120.7589 54.9909 18.3971 179.8042 89 I 3.7329 7.7064 120.9537 65.1170 37.0809 178.8223 90 E 3.7333 7.6577 118.7809 61.5647 29.4815 180.6451 91 Y 4.4780 7.3054 117.5771 61.0895 37.8727 178.6759 92 Y 4.4992 8.3614 118.1009 61.2449 37.9589 178.4115 93 Q 3.9102 8.5515 119.4056 58.6704 28.6367 178.6758 94 K 3.5676 8.0937 120.5462 59.4060 32.0819 178.7330 95 A 4.0831 7.9898 120.8969 55.0489 18.0334 179.5340 96 L 3.8534 7.2663 116.7082 57.4097 41.7083 178.7291 97 E 3.9854 7.7620 118.8499 59.0197 29.5550 178.7383 98 L 4.3138 7.5879 120.6376 57.2236 43.5091 178.1826 99 D 4.8705 8.2127 118.8051 50.5307 40.1341 175.9980 100 P 4.5730 0.0000 0.0000 63.9876 31.3081 178.4739 101 R 4.7291 7.8912 115.0512 55.8748 30.4405 179.6725 102 S 4.6065 8.0531 114.0984 57.8921 63.1194 174.1461 103 A 4.3316 8.7570 134.9038 55.6799 18.1975 179.5099 104 E 4.0438 8.1652 116.4794 61.3756 29.9498 182.6112 105 A 4.2474 7.4609 121.3958 54.6506 18.3743 179.8647 106 W 4.1174 7.9614 117.0544 59.9420 29.1376 178.0892 107 Y 4.4589 8.5001 119.5055 61.1738 38.3569 178.0591 108 N 4.1019 9.0576 119.9614 56.5154 38.4627 178.1824 109 L 3.9982 7.7551 124.2207 59.2510 40.9492 183.1678 110 G 3.7053 8.2980 106.8422 47.6125 0.0000 175.5699 111 N 4.5390 8.4197 119.9287 55.6498 38.3441 177.3743 112 A 4.3711 8.0686 121.0596 55.3629 18.6906 179.1161 113 Y 4.0736 8.0694 115.3212 61.1959 37.9733 177.3333 114 Y 4.0191 8.5735 123.4593 61.5413 38.7004 179.2011 115 K 4.0675 8.0861 121.7704 58.5212 31.7581 179.5883 116 Q 4.5377 7.9238 115.3539 56.0943 29.4430 176.3633 117 G 3.3728 7.6824 108.9580 45.2650 0.0000 175.0831 118 D 4.4312 7.1127 120.8647 53.3572 39.1307 176.0871 119 Y 4.3385 7.4290 122.0769 60.5004 38.3922 176.9077 120 D 4.3440 8.0486 119.9542 56.1877 39.6001 178.4589 121 E 3.3801 7.8171 119.3862 58.7740 29.5404 178.5746 122 A 3.7925 7.6471 120.4152 55.2505 18.4732 179.5146 123 I 3.8157 8.1117 120.8772 65.3513 37.2587 179.0653 124 E 3.8411 7.8718 118.7124 61.4552 29.4269 180.7013 125 Y 4.7137 7.7748 118.4713 61.0843 37.5542 178.0394 126 Y 4.6473 8.6265 118.1546 61.3196 38.0280 178.7225 127 Q 4.1610 8.5289 121.5428 59.3307 28.6920 179.3254 128 K 3.6432 8.0278 124.5080 59.6407 31.5242 180.7945 129 A 4.2992 8.3237 124.8949 55.7113 18.2637 180.4926 130 L 4.1820 8.2463 123.0987 59.8441 40.6384 181.7540 131 E 4.1659 7.7746 116.7616 61.5812 29.7904 182.8875 132 L 4.4402 7.4232 119.0009 56.2204 43.3142 177.3586 133 D 4.7803 8.1830 118.1083 51.0625 40.8233 174.2283 134 P 4.2638 0.0000 0.0000 65.2383 32.6603 177.8982 135 R 4.6329 7.7799 118.2512 55.7322 31.1341 181.3047 136 S 4.3428 7.7637 120.5832 58.5686 62.3098 176.1435 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 8.22 4.54 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 2 E 8.42 4.62 0.00 2.06 2.01 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 2.32 2.01 0.00 3 A 8.77 4.16 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 W 8.11 3.96 0.00 3.62 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 9.77 4.47 0.00 3.19 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 6 N 8.48 4.24 0.00 3.08 2.80 0.00 0.00 6.69 6.08 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 7 L 8.22 3.91 0.00 1.54 1.62 0.61 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.35 4.51 0.00 2.86 2.85 0.00 0.00 6.43 7.11 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 10 A 7.87 3.91 1.15 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 11 Y 7.74 3.99 0.00 3.25 3.08 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 0.00 0.00 0.00 12 Y 8.33 3.99 0.00 3.30 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 13 K 8.77 4.17 0.00 1.97 1.92 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.67 7.81 14 Q 7.84 4.16 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.05 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 15 G 7.63 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 16 D 8.07 4.52 0.00 2.82 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 17 Y 7.00 4.27 0.00 2.97 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.99 4.24 0.00 2.68 2.68 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 19 E 7.80 3.68 0.00 1.51 1.12 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 1.59 1.97 0.00 20 A 8.01 3.82 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 21 I 8.04 3.58 1.85 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.49 0.65 0.00 0.00 22 E 7.50 3.71 0.00 1.99 1.99 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 2.25 2.25 0.00 23 Y 7.32 4.71 0.00 3.04 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.10 4.53 0.00 3.10 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 25 Q 8.58 3.91 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 26 K 7.83 3.63 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 27 A 8.09 4.33 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.66 4.15 0.00 1.48 1.26 -0.32 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.84 4.10 0.00 2.07 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 2.26 2.22 0.00 30 L 7.52 4.65 0.00 1.61 1.79 1.08 1.41 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 31 D 7.98 4.47 0.00 2.65 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.76 0.00 2.46 2.37 0.00 3.58 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 2.04 2.19 0.00 33 R 8.26 4.60 0.00 1.87 1.81 0.00 3.25 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 1.48 1.41 0.00 34 S 7.89 4.79 0.00 3.72 3.77 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 35 A 8.78 4.51 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 36 E 8.17 4.03 0.00 1.99 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 1.95 0.00 37 A 7.78 4.13 0.99 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 0.00 0.00 38 W 8.01 4.06 0.00 3.65 3.52 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 39 Y 8.41 4.42 0.00 3.20 3.34 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 40 N 8.35 3.91 0.00 2.27 2.13 0.00 0.00 6.73 6.25 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 41 L 7.71 4.04 0.00 1.56 1.61 0.80 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.03 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.37 4.93 0.00 2.74 2.94 0.00 0.00 6.49 7.60 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 44 A 8.48 4.24 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.82 3.96 0.00 3.28 3.11 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 46 Y 8.38 3.88 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 47 K 8.29 3.79 0.00 0.81 0.74 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.15 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.19 7.81 48 Q 7.53 4.13 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.41 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 49 G 7.96 3.52 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 0.00 0.00 0.00 50 D 7.41 4.52 0.00 2.77 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 51 Y 7.30 4.25 0.00 3.02 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 52 D 7.96 4.21 0.00 2.60 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 53 E 7.89 3.59 0.00 1.31 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 54 A 7.70 3.91 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.61 3.75 1.84 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.87 0.00 0.00 56 E 7.54 3.70 0.00 1.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 57 Y 7.10 4.38 0.00 3.06 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.07 4.55 0.00 3.01 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 59 Q 8.38 3.88 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 60 K 7.68 3.79 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.33 7.81 61 A 7.98 4.22 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.71 3.76 0.00 1.47 1.09 -0.37 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.50 3.92 0.00 1.92 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 2.26 2.34 0.00 64 L 7.28 4.27 0.00 1.70 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.01 4.69 0.00 2.66 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 66 P 0.00 4.54 0.00 2.19 2.25 0.00 3.78 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.29 0.00 67 R 7.84 4.54 0.00 1.84 1.79 0.00 3.26 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 68 S 7.98 4.38 0.00 3.99 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 69 A 8.61 4.24 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 70 E 8.27 3.91 0.00 1.70 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 2.34 2.44 0.00 71 A 7.66 4.08 1.11 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 0.00 0.00 72 W 7.82 4.26 0.00 3.56 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.86 4.37 0.00 3.09 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 74 N 8.88 4.05 0.00 2.55 1.84 0.00 0.00 6.69 6.61 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 75 L 7.77 4.08 0.00 1.79 1.77 0.99 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.14 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.40 4.46 0.00 2.76 3.00 0.00 0.00 6.43 7.55 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 78 A 7.95 4.42 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Y 7.98 3.98 0.00 3.32 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 9.01 4.07 0.00 3.09 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 81 K 8.74 4.11 0.00 1.84 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.33 7.81 82 Q 8.26 4.53 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.38 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 83 G 7.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.31 4.60 0.00 2.70 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 85 Y 7.53 4.53 0.00 3.02 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 86 D 8.08 4.27 0.00 2.68 2.66 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 0.00 0.00 0.00 0.00 87 E 7.90 3.75 0.00 1.97 1.99 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 2.31 1.94 0.00 88 A 7.98 4.07 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 89 I 7.71 3.73 1.89 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.52 0.75 0.00 0.00 90 E 7.66 3.73 0.00 2.01 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 2.25 2.23 0.00 91 Y 7.31 4.48 0.00 2.93 3.25 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 92 Y 8.36 4.50 0.00 3.15 2.80 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 93 Q 8.55 3.91 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 94 K 8.09 3.57 0.00 1.35 1.47 0.00 1.09 0.00 0.00 1.10 0.00 0.00 2.54 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 0.21 7.81 95 A 7.99 4.08 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.27 3.85 0.00 1.37 1.21 -0.53 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.76 3.99 0.00 1.85 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 2.26 2.30 0.00 98 L 7.59 4.31 0.00 1.80 1.74 1.18 1.23 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 99 D 8.21 4.87 0.00 2.51 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 0.00 100 P 0.00 4.57 0.00 2.34 2.33 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 101 R 7.89 4.73 0.00 1.84 1.77 0.00 3.25 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 102 S 8.05 4.61 0.00 3.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.76 4.33 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 0.00 104 E 8.17 4.04 0.00 1.99 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 1.95 0.00 105 A 7.46 4.25 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 W 7.96 4.12 0.00 3.67 3.29 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 0.00 107 Y 8.50 4.46 0.00 3.28 3.34 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 0.00 108 N 9.06 4.10 0.00 2.86 1.91 0.00 0.00 7.23 6.72 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 0.00 109 L 7.76 4.00 0.00 1.67 1.67 0.92 0.56 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 0.00 110 G 8.30 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 0.00 111 N 8.42 4.54 0.00 2.79 2.95 0.00 0.00 6.55 6.74 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 0.00 112 A 8.07 4.37 1.65 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 0.00 113 Y 8.07 4.07 0.00 3.32 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 0.00 114 Y 8.57 4.02 0.00 3.26 3.25 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 0.00 115 K 8.09 4.07 0.00 1.91 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 Q 7.92 4.54 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.47 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 117 G 7.68 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 0.00 0.00 0.00 118 D 7.11 4.43 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 7.43 4.34 0.00 3.02 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 0.00 120 D 8.05 4.34 0.00 2.79 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 0.00 121 E 7.82 3.38 0.00 1.69 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 1.47 1.91 0.00 122 A 7.65 3.79 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 0.00 123 I 8.11 3.82 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.92 0.00 0.00 124 E 7.87 3.84 0.00 1.99 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 2.25 2.23 0.00 125 Y 7.77 4.71 0.00 3.00 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 0.00 126 Y 8.63 4.65 0.00 3.25 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 0.00 127 Q 8.53 4.16 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.73 0.00 128 K 8.03 3.64 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 129 A 8.32 4.30 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 8.25 4.18 0.00 1.68 1.69 0.92 0.89 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 0.00 131 E 7.77 4.17 0.00 2.10 1.90 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 2.26 2.23 0.00 132 L 7.42 4.44 0.00 1.71 1.79 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.18 4.78 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.26 0.00 2.06 2.10 0.00 3.86 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 2.02 2.21 0.00 135 R 7.78 4.63 0.00 1.82 1.69 0.00 3.27 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 136 S 7.76 4.34 0.00 3.62 3.66 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 0.00 0.00 0.00 0.00