NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0871 8.0549 120.3922 62.5670 32.7226 174.8014 2 L 4.1666 8.2072 126.3800 52.0379 42.6587 175.9480 3 S 4.5377 9.7448 119.5203 57.7655 66.2503 175.0983 4 E 4.2752 8.8422 121.6780 59.6846 29.2393 179.8747 5 G 3.6580 8.1237 105.2262 47.7783 0.0000 175.4872 6 E 3.9241 7.9444 121.0018 59.0435 29.4114 179.4155 7 W 4.3732 8.2617 119.1267 59.8669 29.0763 178.3228 8 Q 4.0752 8.5226 119.5906 59.1648 28.3923 178.3405 9 L 4.0516 7.8897 119.5616 57.7403 41.6910 179.6029 10 V 3.7360 7.9126 118.1003 66.3036 31.5862 178.1499 11 L 4.2921 8.4808 118.6566 57.6052 41.1230 178.9709 12 H 4.2196 8.6079 119.0106 59.2470 29.9132 177.7408 13 V 3.4742 7.8674 120.8401 64.4666 31.3378 178.1505 14 W 3.8778 8.5824 128.8554 60.0783 30.2813 177.7511 15 A 4.0266 8.0311 120.0988 55.0343 18.0516 179.4795 16 K 3.9296 7.3706 116.8252 59.3995 32.0683 179.5491 17 V 2.8750 7.0328 118.4060 65.8395 30.9908 177.6435 18 E 3.9218 7.4924 115.9321 58.0627 29.3339 178.5062 19 A 4.1810 7.4799 120.4938 53.8497 20.0312 177.6561 20 D 4.6667 7.8804 116.4193 52.3087 42.8089 175.5966 21 V 3.4179 7.8354 123.3665 65.7577 32.1504 176.8202 22 A 4.0519 7.9650 120.2002 55.0525 18.2759 179.7365 23 G 3.4743 8.4309 104.3144 48.1466 0.0000 175.7502 24 H 4.1492 8.2405 118.8033 58.5154 28.7059 178.1308 25 G 3.5643 8.3452 107.8134 47.7659 0.0000 175.7663 26 Q 3.8750 8.1029 120.3591 58.9065 28.7914 178.6470 27 D 4.2811 7.9323 119.8058 57.3021 40.7886 179.0516 28 I 3.6458 7.8356 120.3172 64.4121 37.0982 178.5526 29 L 3.4613 7.6705 119.7745 57.5168 41.2450 179.6501 30 I 3.5795 7.6181 119.8419 64.1966 36.9469 178.3863 31 R 3.7702 7.9128 119.5287 59.1941 29.8935 178.1610 32 L 3.9137 7.7480 120.0130 58.4595 41.6063 179.1274 33 F 4.5675 7.9499 117.6569 60.5026 38.5501 177.9603 34 K 4.0510 8.1578 117.7073 59.4840 31.9833 179.3128 35 S 4.3084 8.0844 114.6323 60.1443 64.1585 174.3721 36 H 4.7207 8.0888 118.3484 52.1442 29.1463 171.9686 37 P 4.5149 0.0000 0.0000 64.3554 31.1015 177.4814 38 E 4.0961 8.2825 116.6059 59.5533 29.4394 179.1674 39 T 3.8621 8.1422 111.0008 64.4525 68.7951 176.3520 40 L 3.5935 7.8599 123.1013 57.7900 41.8047 178.4258 41 E 4.0528 7.8006 117.7103 58.4835 29.6365 178.1794 42 K 4.4528 8.0160 116.5007 56.9738 32.9517 177.4456 43 F 4.6236 8.1281 119.4378 55.3669 39.1998 175.3705 44 D 4.4476 8.6122 124.1753 57.3814 41.0051 178.9908 45 R 3.8586 7.8857 116.6964 58.2926 30.2329 177.0981 46 F 5.0728 8.0021 113.8369 56.8355 40.4136 176.4228 47 K 4.2363 8.0760 119.2419 58.0437 32.8271 177.5061 48 H 4.3967 8.1306 114.8701 57.3891 28.9903 175.3551 49 L 4.2123 7.5965 121.9058 54.1467 41.8226 176.6449 50 K 4.5625 9.4991 121.8449 56.0804 34.3625 176.4804 51 T 4.7258 7.5205 109.5592 58.9911 73.1585 174.0304 52 E 3.8916 8.6868 121.9308 59.5053 29.8220 178.9273 53 A 3.9688 7.9641 120.2739 55.1839 18.2374 179.2874 54 E 3.9371 8.0530 116.1721 59.7892 29.6996 179.1551 55 M 4.1743 8.0421 118.6836 58.4665 31.8403 179.0797 56 K 3.9824 8.1242 117.1681 58.9235 32.2623 178.5780 57 A 4.3999 7.5584 118.8170 52.0863 18.9414 177.1273 58 S 4.3225 7.4854 113.7355 57.3769 62.7990 174.4529 59 E 3.9931 8.8735 129.2604 59.3014 29.4688 177.9686 60 D 4.4248 8.1770 117.8436 57.1789 41.3585 177.8423 61 L 3.4800 8.0623 120.9840 57.8058 42.1798 178.7760 62 K 3.8478 7.8144 119.3872 59.3355 32.1918 178.5514 63 K 3.9451 8.2850 119.9456 59.9740 32.0865 178.3186 64 H 4.4449 8.5777 118.5778 59.0592 29.7763 177.4047 65 G 3.5490 8.2825 107.8926 47.6123 0.0000 175.8701 66 V 3.6164 7.7345 120.0638 66.0630 31.6114 178.1397 67 T 3.8738 7.8051 115.2788 66.6782 68.3389 176.6328 68 V 3.5979 7.9053 120.0359 66.2315 31.5419 178.1684 69 L 4.2676 8.0627 118.6052 57.9072 41.4454 179.6361 70 T 3.9552 8.3335 115.9677 66.5461 68.3256 176.5611 71 A 3.9960 8.0142 122.6036 55.0745 18.3534 179.4538 72 L 3.7832 8.1562 119.0666 58.1234 42.1368 179.3779 73 G 3.2498 8.4874 105.7988 47.6463 0.0000 175.5040 74 A 4.0207 7.7408 122.1399 54.8182 18.6345 179.6440 75 I 3.7974 7.4734 118.0200 64.6170 37.2831 178.6404 76 L 3.9833 7.8202 120.0428 57.6397 41.1841 179.3771 77 K 4.0703 7.6914 116.3782 57.9198 32.3524 178.5224 78 K 4.0028 7.8234 118.5498 55.7386 32.6067 176.5147 79 K 2.0000 8.2854 118.1829 56.4585 29.8293 175.7653 80 G 3.9389 8.0595 106.3135 45.7073 0.0000 174.0007 81 H 4.6364 7.3764 119.0699 55.3937 27.5921 174.9264 82 H 5.1937 7.2585 110.6030 54.5872 29.7392 176.6062 83 E 3.9704 8.5199 121.8456 60.3084 29.0105 179.0129 84 A 4.0785 7.9213 118.7276 54.9417 18.3032 179.0440 85 E 4.1162 8.0800 116.9085 59.3051 29.7076 178.8625 86 L 4.0390 8.2181 120.5620 57.5621 42.1709 178.5931 87 K 3.8578 8.0666 119.7489 59.3132 32.1455 176.9862 88 P 4.2667 0.0000 0.0000 65.2894 31.2036 178.4204 89 L 4.0062 7.9054 118.5847 58.0915 42.1076 178.6387 90 A 4.1146 8.2511 120.9620 55.3298 18.3434 179.6137 91 Q 3.8134 8.2206 116.7378 59.1063 28.7593 179.2897 92 S 4.0141 8.1617 115.2561 61.8344 62.9994 176.2626 93 H 4.1383 8.6087 119.7313 58.0130 28.1849 177.7957 94 A 3.0217 7.6480 122.3762 54.7400 18.2731 179.1246 95 T 3.7978 7.1563 105.5723 62.0003 69.5781 175.2563 96 K 4.2058 7.4628 120.3094 58.2571 33.5096 176.7921 97 H 4.3325 7.9002 113.8570 56.0388 29.5141 175.4440 98 K 3.7548 7.6726 117.2457 57.2729 28.7822 175.7933 99 I 4.2452 7.9572 119.0516 58.7265 38.6310 175.1286 100 P 4.5038 0.0000 0.0000 62.2560 32.1135 177.3365 101 I 3.4362 8.3507 120.7407 64.5215 36.8720 178.3881 102 K 3.6502 7.9121 119.8633 59.8120 31.8836 178.2269 103 Y 4.1400 7.8809 116.7560 60.7368 37.7450 178.2393 104 L 4.1722 7.8877 120.3695 57.4535 41.6378 178.9798 105 E 3.9447 7.9266 118.9793 59.3237 29.6585 178.6634 106 F 4.4689 7.9126 117.7991 60.8583 38.9414 177.5835 107 I 3.8758 8.1093 118.1400 63.9347 37.7372 178.0730 108 S 4.1863 8.1981 116.3288 61.6692 62.6688 176.4498 109 E 4.0599 8.4129 121.0558 59.3646 29.2186 179.2881 110 A 4.0388 8.1303 120.8443 55.0847 18.4178 179.7246 111 I 3.6769 8.0330 118.4136 64.6616 37.2330 178.6651 112 I 3.8178 7.8359 120.5743 64.6318 36.9513 177.9295 113 H 4.0826 8.4157 118.9934 59.4375 29.7638 177.5370 114 V 3.5864 7.9240 119.9545 65.8811 31.3363 177.9537 115 L 3.7987 7.9242 118.8960 57.8434 41.0584 178.9814 116 H 4.4034 7.9360 117.3571 59.4653 29.9155 177.2665 117 S 4.2090 7.9149 116.0435 60.9055 62.6924 175.8702 118 R 4.4112 7.5903 117.6616 55.8661 30.2666 176.0428 119 H 5.0128 8.2023 116.9089 54.4484 30.0333 173.9241 120 P 4.3517 0.0000 0.0000 65.9586 30.8260 176.5724 121 G 3.7885 8.4286 110.6644 46.3433 0.0000 173.4636 122 D 4.9660 8.1335 118.1320 54.0278 42.0150 176.0295 123 F 4.9687 7.7867 120.4148 56.5494 39.4676 174.2617 124 G 3.8706 7.6679 108.9509 44.0759 0.0000 172.3034 125 A 3.8964 8.3723 120.8919 54.9140 18.2491 179.4753 126 D 4.1868 7.9820 117.0808 56.7479 39.3639 178.6978 127 A 3.9400 7.7271 121.9296 54.4035 18.3464 179.1302 128 Q 3.3531 7.8111 118.6792 59.0932 29.0778 178.8595 129 G 3.5092 8.1703 106.6920 47.7129 0.0000 175.4927 130 A 3.8678 7.8555 123.3307 55.0321 18.3644 179.4278 131 M 3.9999 8.3190 117.0083 58.6935 32.2549 177.8282 132 N 4.3036 8.4300 117.4516 56.7298 39.1201 176.9616 133 K 3.8772 8.0612 119.5461 59.3730 32.1066 179.2082 134 A 3.8498 7.9648 121.0415 55.1713 18.3094 179.7400 135 L 4.0934 8.1951 117.5344 57.6760 41.5967 179.5137 136 E 4.0068 8.5260 119.1488 59.2523 29.4111 179.0339 137 L 3.9717 8.0884 120.3713 58.0082 42.1849 178.5574 138 F 4.1578 8.2940 120.6429 61.5670 39.2110 177.1341 139 R 3.5798 8.1825 118.0516 59.1072 29.9658 178.2808 140 K 3.8466 8.3489 119.8368 59.7372 31.8838 178.5635 141 D 4.3807 8.1486 119.0834 57.1531 40.6493 178.8262 142 I 3.5500 7.5642 120.2177 64.2447 36.9813 178.2802 143 A 3.7146 8.1032 121.7071 54.9913 18.2222 179.5448 144 A 3.9463 7.8997 119.1051 55.2296 18.4123 180.0916 145 K 4.0061 7.8659 116.7744 59.6855 32.0548 179.0502 146 Y 4.1257 8.5046 117.4478 61.1117 37.9130 178.8017 147 K 3.9726 8.4129 120.4742 59.4290 32.0855 178.1774 148 E 3.9455 7.8862 118.2306 59.4914 29.6754 178.4494 149 L 4.3693 7.6948 115.4765 55.3523 41.9065 177.6582 150 G 3.7987 8.0819 106.9073 46.1115 0.0000 173.6544 151 Y 4.4841 8.1026 114.6858 57.1512 39.0161 177.0722 152 Q 4.1020 8.1906 119.1654 58.8683 29.2261 176.8748 153 G 3.7601 8.2496 110.3238 45.5573 0.0000 173.4301 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 V 8.05 4.09 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 1.07 0.00 0.00 0.95 0.00 0.00 2 L 8.21 4.17 0.00 0.80 0.72 0.51 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.74 4.54 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 4 E 8.84 4.28 0.00 2.07 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 2.50 2.39 0.00 5 G 8.12 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 0.00 0.00 0.00 6 E 7.94 3.92 0.00 1.93 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 2.22 2.27 0.00 7 W 8.26 4.37 0.00 3.57 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 8 Q 8.52 4.08 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.89 4.05 0.00 1.95 1.75 0.94 0.86 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 10 V 7.91 3.74 2.45 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 1.19 0.00 0.00 0.88 0.00 0.00 11 L 8.48 4.29 0.00 1.86 1.81 0.93 1.35 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 12 H 8.61 4.22 0.00 3.42 3.58 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.47 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 0.98 0.00 0.00 0.83 0.00 0.00 14 W 8.58 3.88 0.00 3.66 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 15 A 8.03 4.03 1.36 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 0.00 0.00 16 K 7.37 3.93 0.00 1.48 1.64 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.48 1.43 7.81 17 V 7.03 2.88 0.85 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 -0.11 0.00 0.00 0.28 0.00 0.00 18 E 7.49 3.92 0.00 2.03 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 2.26 2.17 0.00 19 A 7.48 4.18 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 20 D 7.88 4.67 0.00 2.70 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 21 V 7.84 3.42 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 1.06 0.00 0.00 0.85 0.00 0.00 22 A 7.96 4.05 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 23 G 8.43 3.47 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 0.00 24 H 8.24 4.15 0.00 3.24 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.35 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 3.87 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 27 D 7.93 4.28 0.00 2.76 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 28 I 7.84 3.65 1.81 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 1.50 0.72 0.88 0.00 0.00 29 L 7.67 3.46 0.00 1.32 0.87 0.76 0.57 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 30 I 7.62 3.58 1.82 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 1.36 0.59 0.87 0.00 0.00 31 R 7.91 3.77 0.00 1.91 2.04 0.00 3.04 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 32 L 7.75 3.91 0.00 1.76 1.46 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.95 4.57 0.00 2.98 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 34 K 8.16 4.05 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.60 7.81 35 S 8.08 4.31 0.00 3.77 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.09 4.72 0.00 3.08 2.94 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.51 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 38 E 8.28 4.10 0.00 2.29 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 0.00 2.22 2.52 0.00 39 T 8.14 3.86 4.45 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 0.85 0.00 0.00 40 L 7.86 3.59 0.00 1.36 1.74 0.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.80 4.05 0.00 2.03 2.19 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 2.37 2.44 0.00 42 K 8.02 4.45 0.00 1.94 1.70 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.92 7.81 43 F 8.13 4.62 0.00 3.27 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 44 D 8.61 4.45 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 3.86 0.00 1.27 0.66 0.00 3.02 0.00 0.00 2.91 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.46 0.00 46 F 8.00 5.07 0.00 2.84 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 47 K 8.08 4.24 0.00 1.87 2.23 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.45 7.81 48 H 8.13 4.40 0.00 3.32 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.60 4.21 0.00 1.63 1.58 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.50 4.56 0.00 1.75 1.86 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.30 7.81 51 T 7.52 4.73 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 1.21 0.00 0.00 52 E 8.69 3.89 0.00 2.04 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 2.36 2.36 0.00 53 A 7.96 3.97 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 54 E 8.05 3.94 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 55 M 8.04 4.17 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.58 0.00 56 K 8.12 3.98 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.59 7.81 57 A 7.56 4.40 1.36 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 0.00 0.00 58 S 7.49 4.32 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.87 3.99 0.00 2.14 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 2.40 2.45 0.00 60 D 8.18 4.42 0.00 2.95 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 61 L 8.06 3.48 0.00 1.43 1.65 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.81 3.85 0.00 1.80 1.98 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.29 3.95 0.00 1.92 2.08 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 H 8.58 4.44 0.00 3.65 3.47 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.28 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 0.00 0.00 0.00 66 V 7.73 3.62 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 1.12 0.00 0.00 0.98 0.00 0.00 67 T 7.81 3.87 4.42 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 1.28 0.00 0.00 68 V 7.91 3.60 2.21 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 1.09 0.00 0.00 0.95 0.00 0.00 69 L 8.06 4.27 0.00 1.80 1.86 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 3.96 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 71 A 8.01 4.00 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 72 L 8.16 3.78 0.00 1.63 1.62 0.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 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 0.00 0.00 0.00 74 A 7.74 4.02 1.36 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 0.00 0.00 75 I 7.47 3.80 1.90 0.00 0.00 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 1.55 0.69 0.93 0.00 0.00 76 L 7.82 3.98 0.00 1.20 1.55 -0.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.69 4.07 0.00 1.66 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.49 7.81 78 K 7.82 4.00 0.00 1.84 1.81 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.75 7.81 79 K 8.29 2.00 0.00 1.26 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.63 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.30 0.66 7.81 80 G 8.06 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 81 H 7.38 4.64 0.00 3.17 3.23 0.00 5.81 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 82 H 7.26 5.19 0.00 3.29 3.46 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 3.97 0.00 2.09 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 2.42 2.48 0.00 84 A 7.92 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 85 E 8.08 4.12 0.00 2.23 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 2.40 2.43 0.00 86 L 8.22 4.04 0.00 1.84 1.66 0.72 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.07 3.86 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 88 P 0.00 4.27 0.00 2.22 2.10 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.91 4.01 0.00 1.81 1.88 0.97 1.14 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 90 A 8.25 4.11 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 91 Q 8.22 3.81 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 92 S 8.16 4.01 0.00 3.95 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 93 H 8.61 4.14 0.00 3.48 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.65 3.02 -0.04 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 95 T 7.16 3.80 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 0.89 0.00 0.00 96 K 7.46 4.21 0.00 1.55 1.70 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.13 1.32 7.81 97 H 7.90 4.33 0.00 3.04 3.16 0.00 5.86 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 98 K 7.67 3.75 0.00 1.87 1.84 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.39 7.81 99 I 7.96 4.25 2.03 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 1.38 0.92 1.09 0.00 0.00 100 P 0.00 4.50 0.00 1.96 2.00 0.00 2.40 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 0.70 1.65 0.00 101 I 8.35 3.44 1.72 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.72 0.00 0.00 102 K 7.91 3.65 0.00 1.72 1.65 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 0.60 7.81 103 Y 7.88 4.14 0.00 3.16 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 0.00 104 L 7.89 4.17 0.00 1.81 1.77 0.65 0.91 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 0.00 105 E 7.93 3.94 0.00 1.96 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 2.46 2.44 0.00 106 F 7.91 4.47 0.00 3.22 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 0.00 107 I 8.11 3.88 2.02 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 1.58 1.61 1.11 0.00 0.00 108 S 8.20 4.19 0.00 4.20 3.97 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 0.00 109 E 8.41 4.06 0.00 2.27 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 2.64 2.60 0.00 110 A 8.13 4.04 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 0.00 0.00 0.00 0.00 0.00 111 I 8.03 3.68 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 1.03 0.00 0.00 112 I 7.84 3.82 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 1.14 0.00 0.00 113 H 8.42 4.08 0.00 3.37 3.49 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 0.00 114 V 7.92 3.59 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 115 L 7.92 3.80 0.00 0.97 0.47 0.73 0.63 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 0.00 116 H 7.94 4.40 0.00 3.40 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.91 4.21 0.00 3.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.59 4.41 0.00 1.58 1.60 0.00 3.07 0.00 0.00 2.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 119 H 8.20 5.01 0.00 3.11 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.17 1.94 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 121 G 8.43 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.13 4.97 0.00 2.74 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 0.00 123 F 7.79 4.97 0.00 2.92 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 0.00 124 G 7.67 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 0.00 125 A 8.37 3.90 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 0.00 126 D 7.98 4.19 0.00 2.83 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 0.00 127 A 7.73 3.94 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 0.00 128 Q 7.81 3.35 0.00 1.48 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 129 G 8.17 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 0.00 130 A 7.86 3.87 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 0.00 131 M 8.32 4.00 0.00 2.40 2.43 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.84 0.00 132 N 8.43 4.30 0.00 2.94 2.93 0.00 0.00 7.23 7.97 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 0.00 133 K 8.06 3.88 0.00 1.86 1.68 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.55 7.81 134 A 7.96 3.85 1.23 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 0.00 0.00 0.00 135 L 8.20 4.09 0.00 1.75 1.79 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.53 4.01 0.00 2.15 2.00 0.00 0.00 0.00 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 2.52 0.00 137 L 8.09 3.97 0.00 1.80 1.96 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.29 4.16 0.00 3.09 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 0.00 139 R 8.18 3.58 0.00 2.09 1.99 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 140 K 8.35 3.85 0.00 1.82 2.00 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 141 D 8.15 4.38 0.00 2.81 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 0.00 142 I 7.56 3.55 1.36 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.26 0.47 0.00 0.00 143 A 8.10 3.71 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.90 3.95 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 0.00 0.00 0.00 0.00 0.00 145 K 7.87 4.01 0.00 1.99 1.92 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.63 7.81 146 Y 8.50 4.13 0.00 3.10 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 0.00 147 K 8.41 3.97 0.00 1.94 2.01 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.89 3.95 0.00 2.06 2.22 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 2.35 2.38 0.00 149 L 7.69 4.37 0.00 1.95 1.94 0.83 1.35 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 0.00 150 G 8.08 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 0.00 0.00 0.00 151 Y 8.10 4.48 0.00 2.66 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 0.00 152 Q 8.19 4.10 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 153 G 8.25 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 0.00 0.00 0.00