NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 3.7887 8.0549 120.3386 60.8030 33.7685 174.4751 13 T 4.0100 7.4790 115.6713 61.0665 70.8686 173.2411 14 F 5.0476 8.8524 126.6935 56.3527 41.3392 175.8162 15 K 4.2494 9.5263 125.8032 58.7906 32.1530 177.7680 16 N 4.9399 8.6990 112.3108 52.1375 39.7575 174.4135 17 G 4.0571 7.3289 105.0333 45.8604 0.0000 172.0495 18 K 3.6734 8.0157 116.5248 53.8214 35.4902 174.2535 19 P 3.9647 0.0000 0.0000 62.8911 31.6345 176.7352 20 T 4.2406 8.2212 109.5239 62.3597 69.4257 175.2958 21 V 4.4892 7.2893 114.4284 59.4608 35.3887 174.5732 22 K 4.5721 8.5910 121.8079 54.7417 34.3955 176.6111 23 G 4.1646 8.4409 116.6730 45.7698 0.0000 173.4361 24 T 4.4456 8.3842 109.5827 62.3665 70.7783 175.7587 25 K 4.5576 7.8632 121.8785 54.7751 36.0918 174.8824 26 T 5.1424 8.2301 122.1073 61.9524 71.4882 172.8968 27 Y 4.8714 9.2607 123.9816 55.3561 40.9485 173.6166 28 P 4.4736 0.0000 0.0000 63.3207 31.8742 176.0894 29 M 4.6887 8.6773 117.9034 55.1060 35.7741 175.6796 30 F 4.7065 7.3371 119.4160 57.1216 39.5120 173.8101 31 S 3.5916 8.3547 117.1031 59.8916 60.8709 171.0497 32 N 4.0063 7.9937 109.0785 54.4228 36.6428 175.7835 33 I 4.3120 7.5851 119.3382 62.2625 39.6273 175.7962 34 L 5.0561 7.7516 123.7264 53.4646 44.2620 174.7183 35 Y 5.1270 9.2682 123.9387 56.2022 41.2543 174.5978 36 R 4.5294 9.1840 124.9890 55.5512 31.8516 174.8763 37 I 4.9258 8.8980 127.6446 59.7012 39.5334 174.2664 38 A 5.0803 9.2482 129.9251 50.1336 21.8062 174.8880 39 D 5.1083 9.3501 122.1055 52.6130 42.8622 176.7482 40 T 4.0147 8.6871 117.8298 64.5639 69.3252 176.7125 41 E 3.9113 8.3806 121.7504 58.6855 29.7439 177.1290 42 A 4.2196 8.6916 119.4203 51.8590 19.8671 176.7713 43 R 3.8616 7.5078 113.7286 57.1293 28.3517 175.6796 44 R 5.1062 8.1908 116.5533 54.4560 34.4463 174.4095 45 W 5.5368 9.2264 124.3486 55.0504 32.7264 174.4434 46 A 5.2164 8.9419 123.6834 50.3637 22.8575 174.7237 47 F 5.4716 9.1163 117.5075 55.8507 42.6106 174.0259 48 Y 5.2033 9.4031 123.8927 55.8351 42.0003 173.6347 49 N 4.9726 8.1404 125.5421 51.9250 40.2595 173.8129 50 D 4.4538 8.5290 125.9563 54.4663 41.5280 176.1468 51 S 4.4801 8.5072 113.2308 58.3697 63.1538 175.2153 52 K 4.2617 8.7848 124.4418 58.0406 32.6082 177.3236 53 E 4.7094 8.4146 116.1971 55.5872 31.9761 175.5816 54 L 5.1685 7.9528 118.9693 52.8105 44.5276 175.4345 55 I 4.5087 8.5574 123.2414 59.5941 40.1341 174.1375 56 I 4.6855 8.4254 129.8387 59.6695 40.0674 173.7793 57 H 5.4201 9.2094 127.3543 54.2680 32.1546 173.3140 58 V 4.7308 8.4187 124.8676 59.6588 34.3267 174.3966 59 A 5.4387 9.0030 125.8063 50.1088 22.5826 174.8078 60 V 4.8953 9.2934 121.1279 61.0845 35.3784 174.0815 61 L 5.2979 8.8342 127.3008 53.2512 43.8817 175.2468 62 F 5.6237 9.5266 123.1714 55.6505 41.9051 175.4375 63 D 5.0503 9.4212 123.5485 54.2643 41.5083 177.2968 64 Y 4.0221 9.0198 118.8759 59.7563 38.0268 176.7801 65 D 4.3186 6.9010 117.1745 53.1335 40.0698 176.5678 66 S 4.2699 7.9654 117.1051 59.2552 63.6873 174.5707 67 Q 4.4046 8.8026 122.7112 53.4727 29.5921 174.1685 68 I 4.7545 7.3758 115.0367 58.6517 41.2513 175.2253 69 V 4.4005 8.0285 116.3072 58.5977 34.8871 173.6357 70 P 4.6369 0.0000 0.0000 62.8398 32.2563 175.4096 71 L 4.5836 8.6794 121.8122 52.9859 44.5594 177.8338 72 G 3.7987 8.6772 109.8886 47.5815 0.0000 174.4650 73 D 4.7487 8.7764 124.8908 54.2250 41.0269 176.3255 74 T 4.4701 8.1648 118.3838 63.9473 69.6421 173.3229 75 T 4.6402 9.0323 115.8663 59.9330 71.3706 173.2508 76 A 5.1900 7.9113 124.5772 50.3687 22.4235 175.1646 77 F 4.9174 9.3005 118.4430 55.8123 43.9435 174.1948 78 R 4.7211 8.8319 120.8218 56.1817 30.4443 176.0500 79 I 4.1593 8.7667 123.1573 62.5605 39.6381 175.8912 *91 G 3.8009 7.7211 104.2728 46.1669 0.0000 171.4507 92 K 4.7681 8.0398 117.4664 54.9601 37.6256 174.7865 93 Y 5.2209 8.9216 118.8519 56.4129 40.4785 174.7976 94 L 5.3586 9.2136 127.1447 53.7601 44.2705 174.7354 95 C 5.6955 9.4360 124.0560 58.0501 31.6626 172.9414 96 E 5.6424 9.5635 120.5397 55.3229 33.1688 174.4108 97 V 4.9019 8.8540 119.5930 60.9340 35.2778 172.5141 98 D 5.2901 8.7082 121.7271 52.9357 43.0907 176.1898 99 V 4.3234 8.7047 122.3312 61.0883 34.2389 175.3950 100 R 4.5290 9.2519 127.7675 54.6810 31.7738 174.6612 101 P 4.4289 0.0000 0.0000 63.7086 31.5325 176.5645 102 L 3.7057 8.2086 120.8248 55.3105 40.2732 174.0342 103 E 4.5190 7.9165 120.2993 55.8460 31.3890 175.0056 104 T 5.1975 8.5105 121.3463 62.1631 70.5264 173.7543 105 Q 4.7491 9.0414 126.1251 54.0225 31.1543 175.2500 106 M 4.1461 8.9315 124.2757 56.0331 32.4193 174.3448 107 F 5.2688 9.5418 122.7558 58.1919 41.8797 174.9304 108 V 4.7139 7.4109 109.1932 59.6801 36.7972 173.1370 109 E 4.6422 9.2421 122.4722 54.5708 32.8698 174.0801 110 G 3.6806 7.8731 113.9466 44.6247 0.0000 173.0679 111 S 4.4990 8.4631 119.2774 56.5115 64.1687 173.4588 112 V 4.5488 8.1408 125.4619 61.2770 33.9789 173.7530 113 T 4.6398 7.9416 114.0997 61.5646 68.3259 178.0243 114 G 4.3019 9.1590 107.2227 45.6353 0.0000 170.8519 115 W 5.9309 8.3244 118.9520 55.4083 31.3685 173.7975 116 R 4.5095 8.9617 116.2639 54.5006 32.7059 174.4454 117 V 3.9284 8.5003 121.7987 63.9394 31.5143 174.7424 118 D 4.7194 9.3956 128.4955 56.3781 42.1753 176.7254 119 T 4.7456 7.6470 113.6357 61.7337 73.1667 172.9411 120 L 4.7434 8.4848 126.8793 53.5975 44.6752 174.6615 121 E 4.9113 8.9181 126.7946 54.4084 33.4091 173.9873 122 A 5.3111 8.6890 125.6836 50.3656 22.6698 175.1518 123 R 4.8501 8.8873 115.4220 54.3143 33.5443 174.6336 124 T 4.2540 8.5361 110.1656 61.9131 69.4030 174.7982 125 A 4.5858 8.8317 127.9402 50.4930 16.3216 176.3341 126 E 4.8229 7.7744 117.4273 53.7737 33.3765 176.3967 127 D 4.7399 8.8026 121.3061 52.5458 40.8636 176.6805 128 E 4.0915 8.6387 116.0042 58.8845 29.7290 177.6582 129 R 4.2439 8.2369 116.6276 56.2832 30.5730 176.9081 130 G 3.8314 8.3418 106.6270 45.5119 0.0000 172.8569 131 Y 4.2590 9.2286 117.8244 55.5146 39.1041 175.9572 132 R 4.1964 8.7326 123.0333 56.3917 30.7322 173.7213 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 12 V 8.05 3.79 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 0.89 0.00 0.00 0.87 0.00 0.00 13 T 7.48 4.01 4.16 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 1.16 0.00 0.00 14 F 8.85 5.05 0.00 3.05 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 15 K 9.53 4.25 0.00 1.84 1.93 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.52 7.81 16 N 8.70 4.94 0.00 2.92 2.87 0.00 0.00 6.92 7.80 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 17 G 7.33 4.06 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 0.00 0.00 0.00 18 K 8.02 3.67 0.00 1.50 1.58 0.00 1.52 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.20 1.29 7.81 19 P 0.00 3.96 0.00 1.96 1.75 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.88 0.00 20 T 8.22 4.24 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 1.20 0.00 0.00 21 V 7.29 4.49 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 0.77 0.00 0.00 0.93 0.00 0.00 22 K 8.59 4.57 0.00 1.71 1.71 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.37 7.81 23 G 8.44 4.16 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 0.00 24 T 8.38 4.45 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 1.23 0.00 0.00 25 K 7.86 4.56 0.00 1.81 1.56 0.00 1.44 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.52 0.90 7.81 26 T 8.23 5.14 4.21 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 1.47 0.00 0.00 27 Y 9.26 4.87 0.00 2.76 2.84 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 0.00 0.00 0.00 28 P 0.00 4.47 0.00 2.13 2.06 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 29 M 8.68 4.69 0.00 1.91 2.25 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.55 0.00 30 F 7.34 4.71 0.00 2.87 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 31 S 8.35 3.59 0.00 3.67 3.68 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 32 N 7.99 4.01 0.00 2.90 2.93 0.00 0.00 7.12 7.45 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 33 I 7.59 4.31 2.20 0.00 0.00 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 1.16 0.81 1.01 0.00 0.00 34 L 7.75 5.06 0.00 1.66 1.46 0.83 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 9.27 5.13 0.00 3.22 3.12 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 0.00 0.00 0.00 36 R 9.18 4.53 0.00 1.86 1.75 0.00 2.21 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.67 0.00 37 I 8.90 4.93 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.93 0.00 0.00 38 A 9.25 5.08 1.24 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 39 D 9.35 5.11 0.00 2.68 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 40 T 8.69 4.01 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 1.29 0.00 0.00 41 E 8.38 3.91 0.00 1.94 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 0.00 2.30 2.37 0.00 42 A 8.69 4.22 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 43 R 7.51 3.86 0.00 2.01 2.09 0.00 3.06 0.00 0.00 3.07 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 44 R 8.19 5.11 0.00 2.01 1.74 0.00 3.04 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 W 9.23 5.54 0.00 3.27 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 46 A 8.94 5.22 1.22 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 47 F 9.12 5.47 0.00 2.96 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 48 Y 9.40 5.20 0.00 2.97 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 49 N 8.14 4.97 0.00 2.68 2.63 0.00 0.00 6.49 8.51 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 50 D 8.53 4.45 0.00 2.96 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 51 S 8.51 4.48 0.00 3.97 3.81 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 52 K 8.78 4.26 0.00 1.80 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.48 7.81 53 E 8.41 4.71 0.00 1.90 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 2.21 2.26 0.00 54 L 7.95 5.17 0.00 1.52 1.58 1.02 0.88 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 55 I 8.56 4.51 1.86 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 1.20 1.76 0.90 0.00 0.00 56 I 8.43 4.69 1.64 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 0.89 0.40 0.34 0.00 0.00 57 H 9.21 5.42 0.00 3.11 3.06 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.42 4.73 1.43 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 -0.12 0.00 0.00 0.36 0.00 0.00 59 A 9.00 5.44 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 60 V 9.29 4.90 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 0.59 0.00 0.00 1.21 0.00 0.00 61 L 8.83 5.30 0.00 1.69 1.65 0.98 0.88 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 62 F 9.53 5.62 0.00 3.07 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 63 D 9.42 5.05 0.00 2.70 2.74 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 64 Y 9.02 4.02 0.00 3.03 3.24 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 65 D 6.90 4.32 0.00 2.46 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 0.00 0.00 0.00 66 S 7.97 4.27 0.00 3.96 3.61 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 67 Q 8.80 4.40 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 68 I 7.38 4.75 1.23 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.05 0.29 0.00 0.00 69 V 8.03 4.40 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 0.67 0.00 0.00 0.82 0.00 0.00 70 P 0.00 4.64 0.00 1.92 1.83 0.00 3.53 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 71 L 8.68 4.58 0.00 1.57 1.58 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.68 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 73 D 8.78 4.75 0.00 2.73 2.74 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 74 T 8.16 4.47 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 1.20 0.00 0.00 75 T 9.03 4.64 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 76 A 7.91 5.19 1.04 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 77 F 9.30 4.92 0.00 2.99 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 78 R 8.83 4.72 0.00 1.77 1.87 0.00 3.23 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 79 I 8.77 4.16 2.03 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 1.31 0.51 0.93 0.00 0.00 *91 G 7.72 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 92 K 8.04 4.77 0.00 1.67 1.86 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 93 Y 8.92 5.22 0.00 3.04 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 94 L 9.21 5.36 0.00 1.92 1.81 1.17 1.10 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 95 C 9.44 5.70 0.00 3.00 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 96 E 9.56 5.64 0.00 2.20 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 2.61 2.47 0.00 97 V 8.85 4.90 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 0.76 0.00 0.00 1.08 0.00 0.00 98 D 8.71 5.29 0.00 2.61 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 99 V 8.70 4.32 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 0.98 0.00 0.00 0.86 0.00 0.00 100 R 9.25 4.53 0.00 2.07 1.84 0.00 3.39 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 101 P 0.00 4.43 0.00 2.03 2.14 0.00 3.87 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 102 L 8.21 3.71 0.00 1.87 1.86 0.96 0.99 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 0.00 103 E 7.92 4.52 0.00 2.17 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 2.32 2.32 0.00 104 T 8.51 5.20 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 1.32 0.00 0.00 105 Q 9.04 4.75 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 106 M 8.93 4.15 0.00 1.95 2.06 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 2.63 2.54 0.00 107 F 9.54 5.27 0.00 3.14 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 0.00 108 V 7.41 4.71 1.43 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 -0.22 0.00 0.00 0.26 0.00 0.00 109 E 9.24 4.64 0.00 1.88 1.56 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 2.08 2.35 0.00 110 G 7.87 3.68 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 0.00 0.00 0.00 111 S 8.46 4.50 0.00 3.93 3.92 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 0.00 112 V 8.14 4.55 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 1.05 0.00 0.00 0.22 0.00 0.00 113 T 7.94 4.64 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 1.23 0.00 0.00 114 G 9.16 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 0.00 0.00 0.00 0.00 115 W 8.32 5.93 0.00 3.05 2.95 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 0.00 116 R 8.96 4.51 0.00 1.79 1.88 0.00 2.74 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 117 V 8.50 3.93 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 0.85 0.00 0.00 1.11 0.00 0.00 118 D 9.40 4.72 0.00 2.72 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 0.00 119 T 7.65 4.75 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 1.25 0.00 0.00 120 L 8.48 4.74 0.00 1.51 1.54 0.44 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.92 4.91 0.00 2.09 1.68 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 2.20 2.32 0.00 122 A 8.69 5.31 1.33 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 0.00 0.00 123 R 8.89 4.85 0.00 1.84 1.98 0.00 2.78 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 124 T 8.54 4.25 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 1.22 0.00 0.00 125 A 8.83 4.59 1.24 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 0.00 126 E 7.77 4.82 0.00 2.09 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 2.17 2.30 0.00 127 D 8.80 4.74 0.00 2.96 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 0.00 128 E 8.64 4.09 0.00 2.12 2.15 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 2.30 2.36 0.00 129 R 8.24 4.24 0.00 2.03 2.21 0.00 3.24 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 130 G 8.34 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 0.00 0.00 0.00 131 Y 9.23 4.26 0.00 3.42 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 0.00 132 R 8.73 4.20 0.00 1.94 2.12 0.00 3.30 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.38 0.00 * Residues marked with a * may have inaccurate shift predictions.