NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3476 8.2649 123.5838 52.6237 19.8727 179.5681 6 T 4.0255 8.4772 113.7673 67.1987 68.6056 174.6064 7 R 3.9445 8.8078 121.7126 59.3620 30.2202 178.2889 8 R 3.9300 7.8919 116.8083 59.1059 30.5085 178.5442 9 V 3.7715 7.7738 117.4850 66.2072 31.5911 177.9701 10 V 3.4581 7.6360 117.4317 66.0162 30.9700 178.1042 11 S 4.1303 7.6473 113.8316 61.7104 62.7153 175.4218 12 E 4.1568 7.9088 116.5205 57.5493 29.4544 176.7286 13 I 4.1493 7.2929 121.4723 58.9589 37.7068 173.9933 14 P 4.3398 0.0000 0.0000 62.8381 31.5974 176.7698 15 V 4.0933 8.1888 115.7834 60.9521 32.5237 175.7113 16 L 4.5765 8.4955 122.3691 54.2231 42.6334 177.2124 17 K 4.7725 8.7700 119.2775 56.2909 33.2759 176.9717 18 T 4.3750 7.9010 115.1601 62.1049 71.2878 173.8823 19 N 4.6048 8.7292 126.2826 52.3241 37.8918 173.5368 20 A 4.9054 8.2069 125.9774 50.6219 22.5708 175.4643 21 G 4.2436 9.2082 109.9610 42.7259 0.0000 173.3612 22 P 2.0000 0.0000 0.0000 62.2882 30.1936 176.8389 23 R 4.4876 8.3172 115.9821 56.5305 31.8581 174.8252 24 D 4.9204 8.1395 116.1417 56.0655 43.1660 180.7220 25 R 3.5356 8.3220 120.9331 56.7718 30.8561 177.7952 26 E 3.9983 9.6661 128.1235 60.5885 29.6877 176.7363 27 L 4.1150 8.2611 118.6479 57.2268 41.5759 179.1626 28 W 4.5261 8.3710 128.1352 60.5238 30.6389 177.7240 29 V 3.6290 7.7786 117.6407 66.1649 30.9428 177.4561 30 Q 3.9465 7.7924 119.0801 59.4246 28.8278 178.6232 31 R 3.8099 8.2033 119.6638 59.1912 30.0205 177.9871 32 L 3.3848 7.9711 121.1215 58.0484 41.8833 179.1280 33 K 4.2178 8.3643 118.5911 59.5888 31.9486 179.0042 34 E 3.9623 8.1040 118.7899 59.4242 29.3262 178.8620 35 E 3.8567 8.3656 119.4616 59.6932 29.5874 178.3441 36 Y 4.3600 7.9276 116.6908 61.4386 38.1073 178.9451 37 Q 4.0697 8.5754 119.0757 59.0983 28.8257 178.9195 38 S 4.1711 8.5931 114.5728 61.1835 62.3382 176.1582 39 L 4.2207 8.4261 122.3739 57.8425 41.4133 179.3802 40 I 3.6967 8.1456 113.3056 64.2639 37.2663 178.3395 41 R 3.9350 7.9935 119.6877 58.9862 29.6442 178.2778 42 Y 4.3785 8.2667 119.3014 60.9338 38.7296 178.3556 43 V 3.2302 8.0756 119.2778 65.9601 31.4564 177.8564 44 E 3.9516 8.3231 118.3323 59.5230 29.3479 179.0624 45 N 4.4073 8.5399 116.7630 56.4269 38.5729 177.2147 46 N 4.4650 8.4389 117.9846 56.2670 38.5527 177.6510 47 K 4.0098 8.2929 119.9793 59.6527 31.9660 179.1610 48 N 4.3526 8.4460 115.6540 55.6766 38.4316 176.2266 49 A 4.4870 7.8100 119.7487 50.4897 20.1351 176.4177 50 D 4.4102 8.1974 117.1365 55.9721 39.9400 173.3411 51 N 5.0342 8.8259 110.5623 52.9609 40.0183 173.3591 52 D 4.4220 8.6453 117.1696 54.1920 41.3115 175.0272 53 W 3.7295 7.9837 122.4095 55.2654 29.9270 174.2873 54 F 4.4374 6.1550 113.3413 56.2319 40.1412 173.4864 55 R 4.3535 8.9036 117.8500 54.4769 34.3881 174.1524 56 L 5.3375 8.5918 124.7760 53.4923 45.2379 174.9353 57 E 4.9547 9.0146 124.4809 54.5962 34.2593 174.3333 58 S 4.0907 7.6403 114.2553 56.3535 65.9102 172.6317 59 N 4.7788 7.8649 118.5573 51.3795 38.8664 175.0350 60 K 4.0141 8.7519 116.8933 60.0213 31.9207 178.5807 61 E 4.2095 8.1527 115.3435 57.3522 29.7281 177.5374 62 G 3.8663 8.5369 106.9604 46.3565 0.0000 174.2261 63 T 4.6281 8.1449 110.6166 61.5744 71.1808 174.0927 64 R 4.9708 8.0069 121.3366 54.0435 33.7972 174.4739 65 W 5.0583 9.0076 123.2593 54.7493 32.8702 174.4628 66 F 5.2975 8.3641 117.2520 55.2829 41.5571 174.4072 67 G 4.4388 8.2843 104.8806 46.4477 0.0000 171.5161 68 K 5.4235 8.0202 118.8823 56.1677 36.5834 174.9943 69 C 5.4651 9.5025 115.2050 56.6420 33.4337 172.7443 70 W 6.2610 9.0082 116.6461 55.5373 31.5302 173.6207 71 Y 4.9660 9.5504 121.4718 56.2695 41.8741 173.7010 72 I 5.5304 8.1467 127.1910 59.6784 38.6653 174.6297 73 H 4.5870 8.9115 126.6864 55.0592 32.1417 172.9751 74 D 4.2952 9.3318 128.6928 55.5578 37.9499 175.6676 75 L 4.0298 8.0439 118.6479 55.4286 41.4064 176.0146 76 L 4.2040 7.7586 117.9839 54.4081 42.9966 176.0809 77 K 4.9188 8.4615 123.1432 55.1115 34.1291 174.7056 78 Y 4.5851 9.5314 126.1375 56.4767 39.8540 174.3979 79 E 5.4468 8.5471 125.5085 54.8175 31.9782 175.0435 80 F 5.1761 9.4775 123.6796 55.8496 43.6279 173.8512 81 D 5.3451 9.3053 123.2911 54.4223 42.0799 175.4913 82 I 5.1723 8.9083 115.8250 59.6481 41.5286 173.7545 83 E 5.3765 8.5078 119.6316 56.0250 33.1982 173.9718 84 F 4.7549 8.1133 113.3393 56.7161 41.4208 172.2922 85 D 5.4833 8.9428 119.8613 52.6254 43.3610 176.1324 86 I 4.0173 8.6499 124.0378 60.3181 37.6079 174.6982 87 P 4.4395 0.0000 0.0000 62.0768 31.9245 177.5514 88 I 3.6648 8.2912 120.9669 63.8462 38.2225 176.7137 89 T 4.3840 7.8072 108.8065 61.4655 69.0114 173.9229 90 Y 4.6842 7.9018 124.5950 57.4560 38.2584 174.3848 91 P 2.9700 0.0000 0.0000 63.0802 31.8209 178.0150 92 T 4.0375 7.6454 115.9940 65.8813 68.5181 174.3470 93 T 4.4257 7.2607 117.5591 61.0629 70.1701 173.8123 94 A 3.6652 7.8102 129.5644 51.2273 18.7429 175.1749 95 P 4.3619 0.0000 0.0000 62.1518 32.2571 176.0591 96 E 4.2815 8.1796 119.0013 54.6464 29.6835 176.3666 97 I 4.0135 7.6675 125.0429 61.3237 38.7695 175.2940 98 A 5.0050 8.6513 126.6104 50.6013 23.2070 175.6506 99 V 4.6750 8.3137 121.9870 57.9819 32.2556 174.4064 100 P 4.2786 0.0000 0.0000 66.2663 31.5768 178.6507 101 E 4.0798 8.4682 115.4921 59.4184 29.7585 178.0529 102 L 4.3269 8.0000 116.3096 54.9184 42.2302 176.0000 103 D 4.4827 7.7049 118.6257 55.9157 41.2040 176.4371 104 G 3.9792 8.9325 114.5024 47.0046 0.0000 173.7542 105 K 4.5275 7.8580 114.8906 55.2642 33.8234 176.5636 106 T 4.0831 8.0134 110.8073 61.3466 69.3961 172.4096 107 A 4.1188 9.0611 133.1842 55.5638 18.5300 178.9247 108 K 4.1498 7.5895 115.0867 56.5806 29.4853 175.3418 *110 Y 4.4143 7.4802 120.3713 57.0770 39.5967 174.4902 111 R 3.9905 8.4218 120.2108 57.9191 30.5376 177.2400 112 G 3.9538 8.9984 111.8938 45.6411 0.0000 174.1984 113 G 3.9147 8.0326 107.9587 44.9044 0.0000 173.4852 114 K 4.5700 7.3252 117.8699 56.1371 32.4139 177.4042 115 I 3.6547 8.5307 126.0801 61.1690 38.0975 175.8540 116 C 4.7334 8.1887 118.5320 56.4943 31.4499 173.7896 117 L 4.3596 8.2733 124.9536 53.9618 42.7149 177.0214 118 T 4.2868 8.1842 108.8775 61.5506 69.4357 175.4251 119 D 4.4382 8.6260 122.5263 57.6580 39.7452 177.2946 120 H 4.5570 8.1573 114.4833 56.4357 28.9565 176.6186 121 F 4.1902 8.3468 123.0632 60.0943 39.2736 176.8687 122 K 3.8305 8.2801 118.5002 59.3608 32.1259 176.6655 123 P 4.2241 0.0000 0.0000 65.5085 31.0787 178.1688 124 L 3.8739 7.0792 117.7911 57.8532 42.2216 178.6837 125 W 3.9524 7.9162 127.8487 60.3893 30.2319 177.6188 126 A 4.1069 8.1830 121.0303 55.2115 17.6134 179.0198 127 R 4.1459 7.6376 110.9222 57.1523 30.0447 176.6495 128 N 4.3490 7.5326 116.5131 52.6347 40.0489 174.8090 129 V 3.4168 6.6825 117.4487 63.0241 30.9948 173.6623 130 P 4.6430 0.0000 0.0000 62.3591 31.7146 177.1684 131 K 4.3502 7.7986 121.4649 59.1961 32.1200 177.4097 132 F 4.3432 6.7388 113.6976 56.6645 39.8212 175.3362 133 G 4.5414 8.1349 112.1824 43.9643 0.0000 172.5515 134 L 3.9140 10.0821 119.3221 57.9155 41.7908 178.5039 135 A 4.2337 8.2178 119.8706 55.7408 18.5960 178.3905 136 H 3.8649 8.1493 112.3281 58.9417 28.9315 177.9804 137 L 4.2442 8.2860 117.9106 56.1996 41.7415 178.1854 *139 A 4.5359 7.8986 120.5942 51.5175 20.0993 178.5177 140 L 4.4421 8.7735 114.8098 55.3420 43.0753 177.4048 141 G 3.3370 8.2396 108.3707 45.8156 0.0000 175.3611 142 L 4.0210 8.8356 121.1943 58.8504 42.7692 177.6813 143 G 3.0872 8.3244 102.7044 48.2514 0.0000 173.1764 144 P 4.1399 0.0000 0.0000 64.2787 31.5881 178.5309 145 W 3.8487 7.8556 127.2309 60.5957 30.6712 178.0030 146 L 3.8567 8.8443 118.9581 57.6885 40.8135 179.3676 147 A 3.8211 7.6933 119.9170 54.8794 18.4944 179.5280 148 V 3.5364 7.2201 115.8810 65.7663 31.7875 178.2556 149 E 3.4465 7.3849 118.2835 59.1070 29.0906 179.0932 150 I 3.3194 6.8763 119.8896 63.8945 37.1678 176.7513 151 P 4.0614 0.0000 0.0000 65.7074 31.0740 177.9056 152 D 4.1676 7.3717 117.2537 57.1897 41.1590 178.2125 153 L 3.9319 8.2199 119.7724 57.7063 41.5880 179.7247 154 I 3.8466 7.7671 120.1732 64.3550 36.8536 178.5038 155 Q 4.0378 7.8513 117.1843 58.9293 28.4926 177.9989 156 K 4.2335 7.8405 118.4196 56.6387 32.2788 177.7868 157 G 3.9092 7.6920 107.2715 45.8508 0.0000 174.8270 158 V 3.8158 7.8631 121.4254 64.0992 31.8304 176.3649 159 I 4.6891 7.5730 117.8262 59.0259 40.5130 173.9911 160 Q 4.9280 8.6022 124.5816 54.2681 32.1645 174.3194 161 H 4.5394 8.6573 119.1266 55.4035 31.0428 175.0834 162 K 3.9866 7.7557 125.1933 57.1796 31.8704 174.6865 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 5 A 8.26 4.35 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 6 T 8.48 4.03 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 1.21 0.00 0.00 7 R 8.81 3.94 0.00 1.89 1.94 0.00 3.20 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 8 R 7.89 3.93 0.00 1.99 2.00 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 9 V 7.77 3.77 2.29 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 1.14 0.00 0.00 1.01 0.00 0.00 10 V 7.64 3.46 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 0.88 0.00 0.00 0.92 0.00 0.00 11 S 7.65 4.13 0.00 4.12 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.91 4.16 0.00 2.15 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 0.00 2.38 2.44 0.00 13 I 7.29 4.15 1.81 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 1.15 0.60 0.54 0.00 0.00 14 P 0.00 4.34 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 15 V 8.19 4.09 2.17 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 0.77 0.00 0.00 0.93 0.00 0.00 16 L 8.50 4.58 0.00 1.78 1.71 0.95 1.13 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 17 K 8.77 4.77 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.50 7.81 18 T 7.90 4.38 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 1.26 0.00 0.00 19 N 8.73 4.60 0.00 2.66 2.76 0.00 0.00 6.96 7.96 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 20 A 8.21 4.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 2.00 0.00 1.59 1.01 0.00 3.53 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 23 R 8.32 4.49 0.00 1.62 1.79 0.00 3.03 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 24 D 8.14 4.92 0.00 3.05 2.76 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 25 R 8.32 3.54 0.00 1.96 1.47 0.00 3.18 0.00 0.00 3.13 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 26 E 9.67 4.00 0.00 2.12 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 2.42 2.53 0.00 27 L 8.26 4.12 0.00 1.98 1.82 1.01 0.75 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 28 W 8.37 4.53 0.00 3.61 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 29 V 7.78 3.63 2.33 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 1.02 0.00 0.00 1.08 0.00 0.00 30 Q 7.79 3.95 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 31 R 8.20 3.81 0.00 2.00 2.01 0.00 3.22 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 32 L 7.97 3.38 0.00 1.17 1.64 0.60 0.93 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 33 K 8.36 4.22 0.00 1.99 1.91 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.70 7.81 34 E 8.10 3.96 0.00 2.26 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 2.34 2.42 0.00 35 E 8.37 3.86 0.00 2.03 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 36 Y 7.93 4.36 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.58 4.07 0.00 2.40 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 38 S 8.59 4.17 0.00 4.04 3.89 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 39 L 8.43 4.22 0.00 2.02 1.87 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.15 3.70 1.90 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 1.59 0.76 1.02 0.00 0.00 41 R 7.99 3.93 0.00 2.18 2.10 0.00 3.33 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 42 Y 8.27 4.38 0.00 3.08 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 43 V 8.08 3.23 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 0.80 0.00 0.00 0.53 0.00 0.00 44 E 8.32 3.95 0.00 2.22 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 2.51 2.51 0.00 45 N 8.54 4.41 0.00 3.03 3.12 0.00 0.00 7.07 7.76 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 46 N 8.44 4.47 0.00 2.81 3.10 0.00 0.00 7.04 7.44 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 47 K 8.29 4.01 0.00 1.94 1.88 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.60 1.67 7.81 48 N 8.45 4.35 0.00 2.87 2.92 0.00 0.00 6.99 7.04 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 49 A 7.81 4.49 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 50 D 8.20 4.41 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 51 N 8.83 5.03 0.00 2.67 2.82 0.00 0.00 6.97 8.95 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 52 D 8.65 4.42 0.00 2.80 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 53 W 7.98 3.73 0.00 3.40 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 54 F 6.16 4.44 0.00 2.63 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 55 R 8.90 4.35 0.00 1.85 1.83 0.00 3.21 0.00 0.00 2.95 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 56 L 8.59 5.34 0.00 1.95 1.78 1.26 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.01 4.95 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 58 S 7.64 4.09 0.00 2.72 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 59 N 7.86 4.78 0.00 2.85 2.94 0.00 0.00 7.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.75 4.01 0.00 1.78 1.95 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 E 8.15 4.21 0.00 2.05 2.14 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 2.37 2.34 0.00 62 G 8.54 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 63 T 8.14 4.63 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 1.16 0.00 0.00 64 R 8.01 4.97 0.00 1.78 1.86 0.00 3.12 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 65 W 9.01 5.06 0.00 1.78 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.36 5.30 0.00 3.08 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 67 G 8.28 4.44 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 0.00 68 K 8.02 5.42 0.00 2.11 2.08 0.00 1.36 0.00 0.00 2.05 0.00 0.00 3.24 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.78 7.81 69 C 9.50 5.47 0.00 3.46 3.22 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 0.00 70 W 9.01 6.26 0.00 3.50 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 71 Y 9.55 4.97 0.00 3.24 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 72 I 8.15 5.53 1.83 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.36 1.01 0.00 0.00 73 H 8.91 4.59 0.00 3.38 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.33 4.30 0.00 3.01 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 75 L 8.04 4.03 0.00 1.83 1.87 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.76 4.20 0.00 1.95 1.26 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.46 4.92 0.00 1.76 1.67 0.00 1.49 0.00 0.00 1.06 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.59 7.81 78 Y 9.53 4.59 0.00 3.44 3.15 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 79 E 8.55 5.45 0.00 1.98 1.77 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 2.40 2.79 0.00 80 F 9.48 5.18 0.00 3.21 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 81 D 9.31 5.35 0.00 2.77 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 82 I 8.91 5.17 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.15 1.07 0.00 0.00 83 E 8.51 5.38 0.00 2.18 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 0.00 2.26 2.30 0.00 84 F 8.11 4.75 0.00 3.08 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 85 D 8.94 5.48 0.00 2.62 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 86 I 8.65 4.02 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.45 0.72 0.00 0.00 87 P 0.00 4.44 0.00 2.24 1.98 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 88 I 8.29 3.66 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.91 0.00 0.00 89 T 7.81 4.38 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 1.22 0.00 0.00 90 Y 7.90 4.68 0.00 3.22 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 91 P 0.00 2.97 0.00 1.87 1.53 0.00 3.73 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 92 T 7.65 4.04 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 1.24 0.00 0.00 93 T 7.26 4.43 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 1.19 0.00 0.00 94 A 7.81 3.67 -0.22 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 0.00 0.00 0.00 95 P 0.00 4.36 0.00 1.52 2.20 0.00 3.34 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 96 E 8.18 4.28 0.00 1.87 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 2.06 2.16 0.00 97 I 7.67 4.01 1.58 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.18 0.78 0.00 0.00 98 A 8.65 5.00 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 99 V 8.31 4.68 2.06 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 0.78 0.00 0.00 1.12 0.00 0.00 100 P 0.00 4.28 0.00 2.27 2.22 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.19 0.00 101 E 8.47 4.08 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 102 L 8.00 4.33 0.00 1.89 1.78 0.90 0.99 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 0.00 103 D 7.70 4.48 0.00 2.81 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 0.00 104 G 8.93 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.86 4.53 0.00 1.85 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.67 7.81 106 T 8.01 4.08 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 1.36 0.00 0.00 107 A 9.06 4.12 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 0.00 0.00 0.00 0.00 0.00 108 K 7.59 4.15 0.00 1.74 1.84 0.00 1.92 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *110 Y 7.48 4.41 0.00 3.29 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 0.00 111 R 8.42 3.99 0.00 1.97 1.83 0.00 3.32 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 112 G 9.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.03 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 0.00 0.00 0.00 114 K 7.33 4.57 0.00 1.75 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.44 1.41 7.81 115 I 8.53 3.65 1.44 0.00 0.00 -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 0.87 -0.03 0.04 0.00 0.00 116 C 8.19 4.73 0.00 2.89 2.85 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 0.00 117 L 8.27 4.36 0.00 1.46 1.57 0.76 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.18 4.29 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 1.27 0.00 0.00 119 D 8.63 4.44 0.00 2.55 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.16 4.56 0.00 3.33 3.39 0.00 5.81 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 0.00 121 F 8.35 4.19 0.00 3.25 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 0.00 122 K 8.28 3.83 0.00 2.04 1.90 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.67 7.81 123 P 0.00 4.22 0.00 2.20 2.08 0.00 3.69 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 2.13 2.15 0.00 124 L 7.08 3.87 0.00 1.75 1.86 0.96 1.19 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 0.00 125 W 7.92 3.95 0.00 2.99 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.18 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.64 4.15 0.00 1.88 1.96 0.00 2.95 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.49 0.00 128 N 7.53 4.35 0.00 1.61 1.42 0.00 0.00 6.56 7.22 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 0.00 129 V 6.68 3.42 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 0.68 0.00 0.00 0.94 0.00 0.00 130 P 0.00 4.64 0.00 2.13 2.29 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 131 K 7.80 4.35 0.00 1.74 1.74 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 132 F 6.74 4.34 0.00 1.68 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 0.00 0.00 0.00 133 G 8.13 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 0.00 0.00 0.00 0.00 134 L 10.08 3.91 0.00 1.27 1.52 -0.71 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.22 4.23 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 0.00 136 H 8.15 3.86 0.00 3.15 2.51 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 0.00 137 L 8.29 4.24 0.00 1.99 1.80 0.61 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.90 4.54 0.98 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 0.00 0.00 0.00 0.00 0.00 140 L 8.77 4.44 0.00 1.95 2.04 0.78 0.89 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 0.00 141 G 8.24 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 0.00 142 L 8.84 4.02 0.00 1.79 2.03 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.32 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 0.00 0.00 0.00 144 P 0.00 4.14 0.00 2.16 2.08 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.10 0.00 145 W 7.86 3.85 0.00 3.37 3.33 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 0.00 146 L 8.84 3.86 0.00 1.75 1.65 1.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.69 3.82 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 0.00 0.00 0.00 0.00 0.00 148 V 7.22 3.54 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.82 0.00 0.00 149 E 7.38 3.45 0.00 1.16 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 1.47 1.47 0.00 150 I 6.88 3.32 0.91 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.78 0.00 0.00 151 P 0.00 4.06 0.00 2.25 2.43 0.00 3.11 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 152 D 7.37 4.17 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.22 3.93 0.00 1.69 1.62 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.77 3.85 1.72 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.76 0.00 0.00 155 Q 7.85 4.04 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 156 K 7.84 4.23 0.00 1.73 1.87 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.43 1.57 7.81 157 G 7.69 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 0.00 0.00 0.00 158 V 7.86 3.82 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 0.84 0.00 0.00 0.92 0.00 0.00 159 I 7.57 4.69 1.97 0.00 0.00 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 1.68 1.76 0.89 0.00 0.00 160 Q 8.60 4.93 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 161 H 8.66 4.54 0.00 2.67 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 K 7.76 3.99 0.00 1.68 1.53 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.