NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 T 4.3132 8.1749 117.3738 63.3174 69.4575 176.1454 0 L 4.1617 9.0264 126.0614 53.5883 42.9903 174.5823 1 M 4.2455 9.4510 124.7975 56.1750 33.6672 174.9503 2 K 4.8785 8.9584 123.8683 54.6049 37.3040 174.5677 3 I 4.8950 8.2668 121.7868 58.9029 40.7264 175.0842 4 S 4.4509 8.9355 124.5316 58.3585 63.7841 175.5377 5 R 3.9856 8.9114 121.6885 59.5411 29.8197 179.5273 6 G 3.5831 8.0302 104.9301 47.6825 0.0000 175.3078 7 L 3.8918 7.6764 122.6614 57.6489 42.0185 178.7507 8 L 3.6099 7.6388 120.1008 57.9009 41.9824 178.7656 9 K 3.8174 8.0821 119.5781 60.0192 32.1125 178.8408 10 T 3.8249 8.0238 115.9383 66.4904 68.2259 176.8262 11 I 3.5766 7.7401 121.8240 64.3585 37.2000 178.4354 12 L 3.9617 7.9907 119.9975 57.8750 41.4505 179.5350 13 E 3.8635 8.2815 118.3377 59.2582 29.3830 179.2829 14 A 3.6933 7.8834 120.6840 54.7515 18.2435 179.5760 15 A 3.6924 7.6005 119.3631 55.0845 18.1963 179.9679 16 K 3.4106 7.2912 115.7249 59.6683 32.1759 179.5322 17 S 4.1975 7.7534 114.0447 61.3267 62.9041 176.2515 18 A 4.1329 8.0168 123.5559 53.7366 18.2802 177.1585 19 H 4.2588 7.4516 116.6478 56.5838 30.1688 173.0133 20 P 4.1836 0.0000 0.0000 63.2589 31.4990 175.7451 21 D 4.7964 8.0382 119.7172 53.5089 42.1688 175.4975 22 E 4.5494 8.4828 120.0629 56.0043 30.7436 175.8900 23 F 5.0200 9.1798 126.2223 56.8565 41.5366 174.3352 24 I 4.6495 7.4825 124.2247 59.4538 41.3105 173.3958 25 A 4.1478 8.1997 128.6509 51.4142 23.2682 174.6646 26 L 4.9848 8.6199 118.9663 53.3948 44.4782 176.2797 27 L 5.0711 8.6124 121.4893 53.7944 44.7441 175.5959 28 S 3.7194 7.4341 114.9120 57.7798 66.5677 173.1789 29 G 4.4342 6.3295 105.5130 45.8447 0.0000 171.2067 30 S 4.7696 7.4843 112.9339 57.4445 67.0017 173.3963 31 K 4.0672 9.0058 125.1221 58.0724 29.8851 176.3600 32 D 4.9840 8.9771 126.6644 54.6492 42.2569 174.3470 33 V 4.8624 7.7106 117.3172 61.4078 34.9856 174.1747 34 M 4.8096 9.4507 129.1100 55.0486 32.7544 176.2738 35 D 4.8728 8.5817 121.0175 52.7864 42.5852 174.1104 36 E 4.9147 8.6016 119.3226 54.6528 32.7650 174.4817 37 L 5.0097 8.5831 125.5620 53.2514 44.6404 175.2204 38 I 4.5482 8.5904 127.4196 59.5757 39.6169 174.9000 39 F 4.6306 9.0235 126.1374 56.4740 40.0386 175.9890 40 L 4.2772 8.4628 122.5074 53.5608 42.3069 175.6503 41 P 4.2371 0.0000 0.0000 65.8836 31.3564 176.5620 *60 M 4.2643 7.6540 116.2291 54.5373 33.0120 175.1992 61 K 4.1370 8.4550 120.9342 56.3383 32.9030 176.8381 62 V 4.4371 8.2382 122.6744 61.1312 32.8404 175.4993 63 F 4.7770 9.0928 127.6789 58.4385 39.7773 176.0701 64 G 4.8963 7.2735 105.7458 45.7354 0.0000 170.3981 65 T 5.2582 7.6127 109.6570 60.0763 73.1781 173.2479 66 V 5.2173 8.4030 120.4528 60.8189 35.0897 173.5683 67 H 5.7883 9.3113 117.1637 55.7899 32.1295 172.3029 68 S 5.4591 8.7166 113.6030 57.0201 66.3385 172.6875 69 H 5.2532 9.2027 116.7032 53.3236 31.9268 173.0214 70 P 5.3947 0.0000 0.0000 63.0631 31.5051 175.8633 71 S 4.7753 7.6362 113.4601 55.8996 65.7012 173.5127 72 P 5.1314 0.0000 0.0000 62.5583 30.5420 175.9612 73 S 4.7500 8.2822 113.1166 56.9371 64.4316 173.5372 74 C 4.7167 8.6856 123.3424 59.5143 28.6133 174.0945 75 R 4.1198 7.5779 120.0762 55.3257 30.0779 175.0190 76 P 4.3728 0.0000 0.0000 62.7705 32.1283 176.8156 77 S 4.5897 9.6090 118.4970 56.8170 65.8392 175.2183 78 E 3.8353 8.5919 121.6742 59.9095 29.3806 179.3581 79 E 4.0181 8.0243 117.5313 59.5105 29.5141 178.7119 80 D 4.0142 7.5530 118.4073 57.5318 40.6133 179.0875 81 L 3.4999 7.0994 117.7031 57.6526 41.6476 179.1828 82 S 4.2404 8.1419 113.3993 60.7566 62.4738 175.9258 83 L 4.1480 7.4890 122.8243 58.0858 41.7446 178.7242 84 F 4.0917 8.2545 117.3688 60.0016 38.8510 176.7042 85 T 4.3487 7.4591 105.9892 62.4150 69.0419 175.1565 86 R 4.2283 7.9733 119.8321 56.8155 32.2977 175.6488 87 F 4.4835 8.2214 117.4731 56.0697 39.6253 175.9987 88 G 4.1457 8.5685 115.2927 44.8417 0.0000 171.2858 89 K 4.3161 8.4101 115.4289 56.7532 34.1477 176.1746 90 Y 4.9646 8.2366 118.7105 56.3164 40.6678 174.6512 91 H 5.2455 9.1085 120.7813 54.2004 32.5145 172.4755 92 I 5.0729 9.0130 125.2896 60.0222 39.5499 175.0299 93 I 5.1613 9.2482 126.6603 59.6048 40.4651 174.5503 94 V 5.2080 8.7467 127.0629 61.2867 34.2847 174.0686 95 C 5.7724 9.4144 121.2379 54.8477 33.9797 172.4588 96 Y 3.0181 8.3025 120.3284 57.0856 39.1838 174.6033 97 P 2.9829 0.0000 0.0000 62.1277 31.8643 175.2574 98 Y 3.6296 7.5133 115.6923 59.6381 35.7077 169.3367 99 D 5.1755 7.6506 119.6115 51.9079 41.8963 176.3764 100 E 4.4244 8.7636 117.3083 58.5671 29.3552 177.4256 101 N 4.9761 8.9052 116.1530 53.1413 39.3667 174.7030 102 S 5.0376 8.3024 113.6983 57.8889 64.1625 173.5754 103 W 6.3000 7.8816 114.9789 54.1391 31.3528 174.1030 104 K 4.3565 8.7572 118.5240 55.1022 36.5487 174.4706 105 C 5.3686 8.2523 121.5971 58.0951 34.6275 172.0734 106 Y 5.3366 9.0081 121.4060 56.4257 42.6872 174.3423 107 N 5.7097 8.5605 119.0140 50.4384 39.9403 175.8303 108 R 4.3298 8.7517 117.1188 59.4125 30.0508 177.8679 109 K 4.3158 8.3199 114.5808 55.9804 32.0659 177.4697 110 G 4.1338 8.7673 107.1533 45.8436 0.0000 174.2360 111 E 4.3753 8.2728 119.7628 55.5096 30.3174 175.6626 112 E 4.4153 8.6835 123.1241 56.2940 30.4320 176.0087 113 V 4.4122 8.2937 126.4176 60.8769 34.5294 174.4805 114 E 4.1563 8.8161 128.6209 55.4990 30.1058 175.5553 115 L 4.6769 8.4448 129.4809 53.2156 43.7001 175.3464 116 E 4.5045 8.5295 125.9325 55.8555 31.2745 175.9712 117 V 4.6142 8.2775 122.4372 61.7698 32.8074 175.8974 118 V 3.7231 8.7990 128.0644 63.6218 32.1500 175.7991 119 E 4.1226 8.1024 125.5328 55.8098 28.8071 176.9972 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 T 8.17 4.31 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 0 L 9.03 4.16 0.00 1.72 1.62 0.93 0.56 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 1 M 9.45 4.25 0.00 1.81 1.76 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.35 0.00 2 K 8.96 4.88 0.00 1.70 1.72 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.53 7.81 3 I 8.27 4.90 1.78 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.53 0.88 0.00 0.00 4 S 8.94 4.45 0.00 3.90 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 5 R 8.91 3.99 0.00 1.83 2.01 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 6 G 8.03 3.58 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 0.00 7 L 7.68 3.89 0.00 1.66 1.74 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.64 3.61 0.00 1.75 1.61 0.94 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.08 3.82 0.00 1.81 1.98 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 10 T 8.02 3.82 4.35 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 1.24 0.00 0.00 11 I 7.74 3.58 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.94 0.00 0.00 12 L 7.99 3.96 0.00 1.76 1.86 0.99 1.42 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 13 E 8.28 3.86 0.00 1.90 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 2.27 2.54 0.00 14 A 7.88 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.60 3.69 1.09 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 16 K 7.29 3.41 0.00 1.77 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.59 7.81 17 S 7.75 4.20 0.00 3.87 3.86 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 18 A 8.02 4.13 1.50 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 0.00 0.00 19 H 7.45 4.26 0.00 3.25 3.48 0.00 5.95 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 20 P 0.00 4.18 0.00 2.16 2.01 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 21 D 8.04 4.80 0.00 2.85 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 22 E 8.48 4.55 0.00 1.93 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 0.00 2.47 2.38 0.00 23 F 9.18 5.02 0.00 3.09 2.94 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 24 I 7.48 4.65 1.73 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.99 0.77 0.00 0.00 25 A 8.20 4.15 0.57 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 0.00 0.00 26 L 8.62 4.98 0.00 1.46 1.53 0.89 0.47 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 27 L 8.61 5.07 0.00 1.76 1.57 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.43 3.72 0.00 3.68 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 6.33 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.48 4.77 0.00 3.98 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 31 K 9.01 4.07 0.00 1.99 1.17 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.48 7.81 32 D 8.98 4.98 0.00 2.55 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 33 V 7.71 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 34 M 9.45 4.81 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 35 D 8.58 4.87 0.00 2.65 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 36 E 8.60 4.91 0.00 1.74 1.75 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 2.12 2.06 0.00 37 L 8.58 5.01 0.00 1.61 1.63 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.59 4.55 1.81 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 1.21 0.44 0.92 0.00 0.00 39 F 9.02 4.63 0.00 2.91 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.46 4.28 0.00 1.62 1.55 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.24 0.00 2.19 2.21 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 *60 M 7.65 4.26 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 61 K 8.46 4.14 0.00 1.79 1.92 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.47 7.81 62 V 8.24 4.44 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 1.06 0.00 0.00 1.04 0.00 0.00 63 F 9.09 4.78 0.00 3.07 2.98 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 64 G 7.27 4.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.61 5.26 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 1.34 0.00 0.00 66 V 8.40 5.22 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 0.57 0.00 0.00 1.03 0.00 0.00 67 H 9.31 5.79 0.00 3.31 3.30 0.00 5.48 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.72 5.46 0.00 4.30 4.14 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 69 H 9.20 5.25 0.00 3.16 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 5.39 0.00 2.25 2.44 0.00 3.42 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 71 S 7.64 4.78 0.00 3.96 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 72 P 0.00 5.13 0.00 2.09 2.18 0.00 3.64 0.00 0.00 4.13 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 73 S 8.28 4.75 0.00 3.80 3.73 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 74 C 8.69 4.72 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.58 4.12 0.00 1.85 1.89 0.00 3.40 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 76 P 0.00 4.37 0.00 1.78 1.63 0.00 3.48 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.00 77 S 9.61 4.59 0.00 3.93 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 78 E 8.59 3.84 0.00 1.90 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 2.28 2.38 0.00 79 E 8.02 4.02 0.00 1.94 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 2.36 2.36 0.00 80 D 7.55 4.01 0.00 2.46 1.86 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 81 L 7.10 3.50 0.00 1.63 1.61 0.83 0.69 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 82 S 8.14 4.24 0.00 3.79 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 83 L 7.49 4.15 0.00 1.74 1.74 0.92 1.00 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 84 F 8.25 4.09 0.00 2.85 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 85 T 7.46 4.35 4.26 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 1.31 0.00 0.00 86 R 7.97 4.23 0.00 2.08 1.68 0.00 3.25 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 87 F 8.22 4.48 0.00 3.16 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.57 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 K 8.41 4.32 0.00 1.40 1.46 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 90 Y 8.24 4.96 0.00 2.91 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 91 H 9.11 5.25 0.00 2.04 2.37 0.00 5.60 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 9.01 5.07 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 1.10 0.00 0.00 93 I 9.25 5.16 2.27 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.92 0.00 0.00 94 V 8.75 5.21 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 1.31 0.00 0.00 1.09 0.00 0.00 95 C 9.41 5.77 0.00 3.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.30 3.02 0.00 2.88 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 97 P 0.00 2.98 0.00 1.79 1.35 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 98 Y 7.51 3.63 0.00 3.22 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 99 D 7.65 5.18 0.00 2.91 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 0.00 100 E 8.76 4.42 0.00 2.06 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 0.00 2.39 2.39 0.00 101 N 8.91 4.98 0.00 2.74 2.74 0.00 0.00 6.79 7.14 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 0.00 102 S 8.30 5.04 0.00 3.95 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 0.00 103 W 7.88 6.30 0.00 3.53 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 0.00 104 K 8.76 4.36 0.00 1.63 1.15 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.15 1.31 7.81 105 C 8.25 5.37 0.00 3.24 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 9.01 5.34 0.00 2.63 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.56 5.71 0.00 2.76 2.85 0.00 0.00 6.87 7.71 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 0.00 108 R 8.75 4.33 0.00 1.85 2.12 0.00 3.20 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.72 0.00 109 K 8.32 4.32 0.00 2.01 1.86 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.45 7.81 110 G 8.77 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.27 4.38 0.00 2.24 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 2.37 2.30 0.00 112 E 8.68 4.42 0.00 2.03 1.82 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 2.11 1.91 0.00 113 V 8.29 4.41 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 0.85 0.00 0.00 0.93 0.00 0.00 114 E 8.82 4.16 0.00 1.97 1.86 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 2.26 2.35 0.00 115 L 8.44 4.68 0.00 1.77 1.86 0.96 1.14 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 0.00 116 E 8.53 4.50 0.00 2.00 1.88 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 2.40 2.33 0.00 117 V 8.28 4.61 2.16 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 0.84 0.00 0.00 1.14 0.00 0.00 118 V 8.80 3.72 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 0.79 0.00 0.00 0.97 0.00 0.00 119 E 8.10 4.12 0.00 2.02 1.80 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 2.32 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.