NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.3998 8.2027 121.7109 55.9310 30.9435 176.4465 4 I 3.8561 8.3637 119.2873 62.2494 38.1349 173.6526 5 E 4.1938 8.8562 118.3550 58.0598 29.9745 177.9218 6 D 4.5009 7.8179 119.4819 57.1972 41.4249 178.5393 7 K 3.9641 7.5728 117.8924 59.5350 32.0355 179.1792 8 I 3.9138 7.7738 119.3569 63.4118 36.8782 177.5788 9 E 4.1847 8.4529 121.1168 58.3116 29.4369 178.2605 10 E 4.0140 8.0292 117.5022 59.4411 30.1452 178.7827 11 I 3.6782 7.8707 120.9098 64.0426 36.9416 178.2992 12 L 4.1386 7.5644 118.3817 57.3273 41.4025 179.3896 13 S 4.1520 7.7563 113.4245 61.4620 62.3835 175.3219 14 K 3.8126 8.3324 122.1587 60.0409 31.5836 178.2326 15 I 3.8475 7.7430 120.2293 64.8697 37.2099 177.5735 16 Y 4.4521 7.7420 121.6093 60.3327 38.8103 177.2368 17 H 4.1116 8.5598 119.5938 58.9996 29.9123 176.5527 18 I 3.9577 8.2539 113.0675 61.9136 37.7472 176.8509 19 E 4.1456 7.5552 121.8313 58.6155 29.7860 177.6400 20 N 4.3279 7.5656 116.2914 55.8530 38.4976 177.0793 21 E 3.8465 7.9729 119.6057 59.4737 29.6599 178.9979 22 I 3.5767 7.3102 118.0138 64.5908 37.3376 178.0766 23 A 3.9811 7.7307 122.4156 55.9258 18.0825 180.3790 24 R 3.8956 7.7151 117.6276 61.6580 29.6669 180.7406 25 I 4.0253 8.4006 120.8322 64.3300 37.2513 178.4387 26 K 3.8832 8.2627 121.6944 60.4206 31.6163 180.0333 27 K 4.0975 7.6702 122.6426 59.5423 31.6684 181.4475 28 L 4.4765 7.9797 121.2343 58.1036 41.8224 179.7831 29 I 3.9583 7.8326 118.8767 64.7280 35.5009 180.4402 30 G 4.0218 7.8132 107.3298 48.8564 0.0000 175.9929 31 E 4.1662 8.1073 119.1823 58.8136 30.2814 179.1462 32 A 4.7559 8.2325 121.4708 53.0618 20.0254 177.7324 *51 D 5.2136 7.7376 120.4167 55.9899 42.6365 176.9319 52 G 4.0981 7.7778 105.8092 44.9859 0.0000 175.6916 53 L 4.1522 8.8609 125.1573 57.1035 41.7898 178.4842 54 I 3.8386 7.7283 117.6170 63.3425 37.6779 177.1002 55 E 4.3056 7.9401 118.2055 58.4774 29.6398 178.6995 56 G 3.6424 8.1054 106.0580 47.1441 0.0000 175.7756 57 L 4.0355 7.8275 122.3224 58.0782 42.0508 178.7421 58 R 4.1006 7.9997 118.2321 58.6961 29.9720 177.6953 59 Q 4.2805 7.6790 118.7579 57.9198 29.3874 177.2775 60 L 3.9273 7.8136 121.0319 58.0124 41.8533 178.7485 61 A 3.9761 7.9168 119.7879 54.3004 18.2574 179.0107 62 N 4.3505 7.4927 116.3343 56.5703 39.1785 176.7882 63 E 3.9477 8.1175 119.7652 59.7898 29.6643 179.3567 64 T 3.8482 7.8955 115.5426 67.2238 68.3933 176.4932 65 T 3.9105 7.3870 112.5020 65.0454 67.0590 175.6057 66 Q 4.1830 7.9741 119.7680 58.5531 28.4035 178.0578 67 A 4.1926 8.3688 121.9629 54.8473 18.2902 179.4930 68 L 4.2861 8.1644 117.4279 57.5182 41.6223 179.2544 69 Q 4.1462 7.7783 116.8923 58.2756 28.7234 178.0489 70 L 4.1029 7.8828 119.5308 57.0993 41.7345 178.9307 71 F 4.0981 7.9489 117.0146 60.0128 38.9136 177.6148 72 L 3.8173 7.9339 120.3189 57.8456 41.6910 179.0077 73 R 3.8057 7.8876 118.4523 59.2826 30.1200 178.2377 74 A 3.9936 7.9328 120.3543 55.6847 18.5949 179.5344 75 T 3.9217 8.6840 115.2222 67.2062 68.6417 176.7029 76 T 4.1509 8.0950 111.0361 64.2183 68.9902 176.8083 77 E 4.0465 7.8798 122.1948 59.2414 29.4141 179.0724 78 L 4.1277 8.0487 119.2090 57.6092 41.6751 179.4307 79 R 3.9219 7.9730 118.2915 59.7828 30.0796 178.5430 80 T 3.8427 7.8298 115.1652 66.8034 68.4157 176.2417 81 F 4.2082 8.3717 122.6042 61.4653 39.5458 177.1966 82 S 4.0790 8.5330 113.5749 60.9333 62.8155 176.3234 83 I 3.9325 7.6805 123.5343 63.7753 36.6385 178.0352 84 L 4.0069 7.7435 120.0646 57.2763 41.6228 178.5360 85 N 4.3403 7.6154 115.7590 54.8981 38.5379 176.9301 86 R 4.0598 7.3866 119.1700 58.3795 29.8712 178.0896 87 K 3.9355 7.6767 119.5672 59.2659 32.1446 178.7192 88 A 4.0373 7.7331 121.0702 55.2038 18.2748 179.7179 89 I 3.8067 7.7147 117.5908 64.1916 36.8502 178.2988 90 D 4.4346 8.0392 119.5233 56.7417 41.0394 178.2925 91 F 4.3728 7.9556 120.9121 61.4599 39.3027 177.2559 92 L 4.0115 7.9084 117.0955 57.7624 41.7588 178.0981 93 L 4.6849 7.8307 116.9381 54.8652 41.5401 178.4186 94 Q 3.9845 8.2613 125.3263 59.8729 29.1144 178.4379 95 R 4.0360 7.7830 115.3569 55.5984 29.1817 179.3161 96 W 4.7891 8.2472 114.5502 58.3868 32.9000 175.9829 97 G 3.6608 7.7878 108.1517 44.6136 0.0000 174.8114 98 G 4.0891 8.3198 105.3914 45.1656 0.0000 174.7089 99 T 3.8243 8.6278 109.1489 65.3243 68.2852 176.9732 100 C 4.4973 8.3403 118.6425 59.2774 39.8825 175.5950 101 H 4.2198 8.1305 117.5444 58.4960 28.7866 177.3208 102 I 3.8998 7.7093 119.8586 63.6133 37.1668 177.4407 103 L 4.3948 8.5901 118.5139 56.0603 42.9444 177.1495 104 G 3.8172 7.9832 105.2674 43.9448 0.0000 171.8665 105 P 4.4299 0.0000 0.0000 64.6323 31.5025 177.4834 106 D 4.5985 7.9999 117.5281 55.7714 40.6074 176.4530 107 C 4.4917 7.9255 114.6889 57.5631 41.7499 175.1445 108 R 4.0293 7.8221 119.9595 56.8560 30.2667 177.0412 109 I 3.7387 6.9105 119.5492 61.6211 37.5280 174.9863 110 E 4.6844 8.2536 124.6461 53.5591 32.7669 172.5442 111 P 4.4451 0.0000 0.0000 62.5946 32.1977 176.1270 112 H 4.3025 8.5170 119.5539 55.5326 29.3241 174.9950 113 D 4.6108 7.8798 121.0164 53.2170 40.0281 175.7086 114 W 4.7783 8.3766 124.2469 56.7834 29.2205 177.6161 115 T 3.9473 7.7400 117.0725 66.9122 67.9282 176.1519 116 K 3.9374 8.0160 120.4039 59.6548 32.2333 178.0039 117 N 4.3579 8.3622 116.1708 56.9111 38.6129 177.2654 118 I 3.7790 8.3407 121.0962 64.5413 37.1551 178.7324 119 T 3.8744 8.2077 116.9068 66.9077 68.4534 176.2651 120 D 4.4150 8.7202 121.0072 57.4189 40.8819 178.9848 121 K 4.0430 7.9468 120.1397 59.4351 31.7211 179.0020 122 I 3.8775 7.8477 119.8325 63.9422 37.0038 177.8407 123 D 4.5388 8.1011 119.8948 56.5319 40.6667 178.5670 124 Q 3.9478 7.8574 120.0081 59.4102 29.3327 177.9075 125 I 3.9119 7.7236 120.6407 64.9920 37.0128 178.1776 126 I 3.8350 7.6437 119.5183 64.1921 36.7890 177.4736 127 H 4.2651 8.2109 120.2830 59.0810 29.8382 176.8398 128 D 4.4092 8.6135 119.1882 56.4644 40.6635 177.6132 129 F 4.5523 8.0386 115.3175 58.9158 40.8576 177.5606 130 V 3.8683 8.1994 118.3517 65.3065 30.9790 176.8252 131 D 4.7606 7.8890 118.3347 53.6454 39.7562 175.7815 132 K 4.5767 7.5686 122.6669 54.2720 33.4328 180.6264 133 T 4.2448 8.3580 114.9428 60.0225 68.5602 171.7469 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 3 Q 8.20 4.40 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 4 I 8.36 3.86 1.87 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 1.52 1.35 0.91 0.00 0.00 5 E 8.86 4.19 0.00 1.96 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 2.46 0.00 6 D 7.82 4.50 0.00 2.78 2.69 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 7 K 7.57 3.96 0.00 2.04 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.71 7.81 8 I 7.77 3.91 1.87 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 1.41 1.32 0.91 0.00 0.00 9 E 8.45 4.18 0.00 2.29 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 2.28 2.34 0.00 10 E 8.03 4.01 0.00 2.24 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 2.60 2.40 0.00 11 I 7.87 3.68 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.10 0.92 0.00 0.00 12 L 7.56 4.14 0.00 2.01 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.76 4.15 0.00 4.07 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 14 K 8.33 3.81 0.00 2.15 1.79 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.58 7.81 15 I 7.74 3.85 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.95 0.00 0.00 16 Y 7.74 4.45 0.00 3.07 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 17 H 8.56 4.11 0.00 3.42 3.62 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.25 3.96 1.86 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 1.41 0.63 1.02 0.00 0.00 19 E 7.56 4.15 0.00 2.33 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 20 N 7.57 4.33 0.00 2.72 2.69 0.00 0.00 6.92 6.98 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 21 E 7.97 3.85 0.00 1.87 1.93 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 2.22 2.23 0.00 22 I 7.31 3.58 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.95 0.88 0.00 0.00 23 A 7.73 3.98 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 24 R 7.72 3.90 0.00 1.94 1.87 0.00 3.28 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 25 I 8.40 4.03 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.37 0.89 0.00 0.00 26 K 8.26 3.88 0.00 2.04 1.87 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.60 7.81 27 K 7.67 4.10 0.00 1.90 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 28 L 7.98 4.48 0.00 1.60 1.74 0.91 0.70 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 29 I 7.83 3.96 1.87 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 1.57 0.62 0.91 0.00 0.00 30 G 7.81 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 0.00 0.00 0.00 31 E 8.11 4.17 0.00 2.08 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 2.24 1.98 0.00 32 A 8.23 4.76 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 *51 D 7.74 5.21 0.00 2.79 2.72 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 0.00 0.00 0.00 52 G 7.78 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.86 4.15 0.00 1.61 1.73 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.73 3.84 1.88 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 1.65 1.37 0.92 0.00 0.00 55 E 7.94 4.31 0.00 2.29 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 2.31 2.32 0.00 56 G 8.11 3.64 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 0.00 0.00 0.00 57 L 7.83 4.04 0.00 1.83 1.90 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.00 4.10 0.00 1.92 2.09 0.00 3.15 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 59 Q 7.68 4.28 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 60 L 7.81 3.93 0.00 1.95 1.60 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.92 3.98 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 62 N 7.49 4.35 0.00 3.05 2.96 0.00 0.00 7.02 7.53 0.00 0.00 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 E 8.12 3.95 0.00 2.04 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 2.64 2.47 0.00 64 T 7.90 3.85 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 65 T 7.39 3.91 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 66 Q 7.97 4.18 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 67 A 8.37 4.19 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 68 L 8.16 4.29 0.00 1.76 1.76 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.78 4.15 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 70 L 7.88 4.10 0.00 1.71 1.49 0.85 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.95 4.10 0.00 3.12 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 72 L 7.93 3.82 0.00 1.87 1.87 1.00 0.97 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 73 R 7.89 3.81 0.00 2.11 1.98 0.00 3.20 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 74 A 7.93 3.99 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 75 T 8.68 3.92 4.50 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 1.31 0.00 0.00 76 T 8.09 4.15 4.29 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 1.31 0.00 0.00 77 E 7.88 4.05 0.00 2.19 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 2.48 0.00 78 L 8.05 4.13 0.00 1.94 1.80 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.97 3.92 0.00 2.09 2.12 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 80 T 7.83 3.84 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 1.28 0.00 0.00 81 F 8.37 4.21 0.00 3.20 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 82 S 8.53 4.08 0.00 4.10 4.38 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 83 I 7.68 3.93 2.06 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 1.52 0.94 0.90 0.00 0.00 84 L 7.74 4.01 0.00 1.94 1.53 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.62 4.34 0.00 2.50 2.71 0.00 0.00 6.50 7.51 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 86 R 7.39 4.06 0.00 1.96 2.04 0.00 3.13 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 87 K 7.68 3.94 0.00 1.82 1.96 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 88 A 7.73 4.04 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 89 I 7.71 3.81 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 0.88 0.00 0.00 90 D 8.04 4.43 0.00 2.90 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 91 F 7.96 4.37 0.00 3.11 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 92 L 7.91 4.01 0.00 1.75 1.79 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.83 4.68 0.00 1.75 1.71 0.83 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.26 3.98 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.19 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 95 R 7.78 4.04 0.00 1.87 1.79 0.00 3.36 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 96 W 8.25 4.79 0.00 3.58 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 97 G 7.79 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 98 G 8.32 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.63 3.82 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 1.19 0.00 0.00 100 C 8.34 4.50 0.00 3.00 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 0.00 101 H 8.13 4.22 0.00 3.45 3.41 0.00 5.65 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 0.00 102 I 7.71 3.90 1.78 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.44 0.76 0.00 0.00 103 L 8.59 4.39 0.00 1.63 1.69 0.90 1.05 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 0.00 104 G 7.98 3.82 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 0.00 0.00 0.00 105 P 0.00 4.43 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 106 D 8.00 4.60 0.00 2.67 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 0.00 107 C 7.93 4.49 0.00 3.15 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 0.00 108 R 7.82 4.03 0.00 2.01 2.02 0.00 3.17 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 109 I 6.91 3.74 2.01 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 1.18 0.46 0.91 0.00 0.00 110 E 8.25 4.68 0.00 1.83 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 111 P 0.00 4.45 0.00 2.27 2.09 0.00 3.81 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 2.00 2.00 0.00 112 H 8.52 4.30 0.00 2.48 2.45 0.00 5.70 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.88 4.61 0.00 2.54 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 0.00 114 W 8.38 4.78 0.00 3.43 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 0.00 115 T 7.74 3.95 4.28 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 1.25 0.00 0.00 116 K 8.02 3.94 0.00 1.84 1.83 0.00 1.75 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.78 1.55 7.81 117 N 8.36 4.36 0.00 3.28 3.06 0.00 0.00 7.07 7.32 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 0.00 118 I 8.34 3.78 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.95 0.00 0.00 119 T 8.21 3.87 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 120 D 8.72 4.42 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.04 0.00 1.83 1.80 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 122 I 7.85 3.88 2.02 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 1.54 1.22 0.94 0.00 0.00 123 D 8.10 4.54 0.00 2.96 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 0.00 124 Q 7.86 3.95 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 125 I 7.72 3.91 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.14 0.84 0.00 0.00 126 I 7.64 3.83 2.06 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 1.45 0.71 1.03 0.00 0.00 127 H 8.21 4.27 0.00 3.19 3.50 0.00 5.60 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 0.00 128 D 8.61 4.41 0.00 3.03 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.04 4.55 0.00 3.15 3.10 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 0.00 0.00 0.00 0.00 130 V 8.20 3.87 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.00 0.00 0.00 131 D 7.89 4.76 0.00 2.86 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.57 4.58 0.00 1.82 1.62 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.22 7.81 133 T 8.36 4.24 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.