NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3099 8.0333 110.9356 60.9576 70.3087 174.5110 4 L 3.4340 8.1472 121.7044 56.7112 41.3067 177.8589 5 N 4.2812 8.8670 117.9993 57.0016 39.3714 176.1606 6 D 4.4047 7.7869 119.7489 57.3972 40.8620 178.7782 7 I 3.8592 7.7519 120.3280 64.6626 37.0784 177.8666 8 Y 4.1467 8.3159 120.4306 60.8476 38.7052 178.1055 9 L 3.8670 8.2393 119.6423 57.4718 41.6423 179.3672 10 A 3.9734 7.9981 121.0003 55.0334 18.3335 178.9996 11 Y 2.3900 7.6067 118.0853 60.3800 38.7374 178.4233 12 L 3.3346 7.4929 119.9297 57.4345 41.4769 178.9476 13 D 4.2429 7.9328 118.3217 57.2962 41.0908 178.5383 14 S 4.0678 7.7661 114.8147 61.2267 62.9106 176.3951 15 L 3.8791 7.5030 122.5284 57.7665 41.1265 179.3640 16 N 4.5247 8.1079 114.9268 56.0343 38.5084 176.1890 17 H 4.4804 7.6334 115.1952 54.5732 29.3347 174.8562 18 Q 2.0000 7.4928 118.8197 56.3758 26.9003 174.9987 19 A 4.1415 7.3418 120.6187 51.0386 17.3145 178.8190 20 F 4.8114 7.2732 119.2717 58.0369 40.1707 178.1774 21 D 4.4497 8.0984 120.2219 57.1016 40.8636 177.5573 22 E 4.2872 8.0275 117.0561 57.0075 29.6577 178.0935 23 L 4.3730 7.8577 122.0267 58.3161 41.9425 178.8184 24 G 3.7816 8.1126 103.5935 46.9652 0.0000 175.1030 25 T 3.7980 7.9488 117.8828 65.7188 68.6074 174.9251 26 F 4.8568 8.3028 117.8354 56.9857 40.7273 175.2705 27 V 4.3528 7.4189 120.2773 60.2520 33.8145 174.2886 28 D 4.4301 8.6176 126.8880 54.0733 41.9505 176.6887 29 D 4.4291 8.7908 124.0090 57.1912 40.9685 177.4726 30 N 5.3500 8.1436 115.3100 52.5051 39.3829 176.0527 31 V 3.8908 7.6026 118.5834 62.4284 32.7105 174.2973 32 E 4.9089 8.8306 124.0434 54.5488 32.5428 173.8217 33 H 4.8372 7.9638 126.0861 54.6036 32.6440 173.3378 34 N 4.1371 9.2121 125.4616 54.3646 36.4461 175.4622 35 G 3.7806 7.7014 102.9706 45.6803 0.0000 173.3384 36 R 4.1205 7.4858 120.5704 54.4624 30.5608 175.1573 37 P 4.6933 0.0000 0.0000 61.2798 30.1636 175.8178 38 F 4.6170 7.6140 114.5916 56.4683 39.3425 177.9396 39 G 4.3591 8.4731 112.7932 44.8073 0.0000 174.3120 40 L 3.9885 8.5629 119.6316 58.2778 41.7768 179.2536 41 S 4.1984 8.0834 113.8017 61.4902 62.8818 176.6212 42 G 3.1455 7.6452 108.0515 47.1322 0.0000 174.8604 43 Y 3.6368 7.5903 121.1152 60.2570 39.0456 177.5112 44 R 3.9782 8.1716 119.7643 59.3213 30.2013 179.4152 45 D 4.4908 7.6249 117.0640 54.5114 40.7483 178.4303 *47 L 4.2158 7.9255 121.3918 54.8404 43.9088 179.4530 48 V 3.5400 7.6375 117.9613 65.8224 31.2276 178.0707 49 K 3.9290 8.0500 119.2919 59.5354 32.0934 178.3413 50 D 4.3247 8.1092 118.7068 57.7485 40.2712 178.9298 51 F 4.3161 8.4068 117.6766 60.1032 38.6650 177.8283 52 A 4.0938 7.8225 120.0540 55.4087 18.5233 179.2130 53 D 4.5898 8.5809 117.6876 56.0314 41.9909 176.0129 54 I 4.8915 7.5745 119.7466 58.0251 37.8666 173.5035 55 P 4.4909 0.0000 0.0000 64.5364 31.6506 177.0208 56 D 4.7739 7.8852 114.8730 52.8178 39.5651 176.0076 57 L 3.8089 7.5971 121.8248 55.9445 42.3709 176.4783 58 R 4.8654 8.0180 123.7862 55.0199 33.1139 173.5959 59 F 4.5298 9.5411 124.4586 55.8795 40.7274 175.2433 60 E 4.6099 8.1778 124.0795 54.8305 32.9429 173.3713 61 A 4.7268 8.7277 129.5459 51.7176 18.9612 176.4529 62 E 4.2499 9.4770 124.8032 58.0071 30.8663 176.8928 63 I 4.7520 7.6380 118.9427 59.3239 41.5304 174.4007 64 L 5.1357 8.6361 125.5291 52.8763 44.6757 175.9315 65 V 4.5886 8.7200 123.8184 61.0745 34.3269 174.4001 66 S 5.1838 8.5444 120.7866 57.4450 65.7580 173.4805 67 D 4.8901 8.5080 120.9992 52.4911 40.6754 175.9114 68 A 4.1497 8.8759 119.2958 54.9149 18.7980 178.3073 69 T 4.7682 8.1634 103.5607 61.4055 71.6073 174.3233 70 R 5.5445 8.7637 120.6704 54.4281 34.8959 174.0888 71 L 5.2883 9.2658 122.3577 53.4295 45.9530 174.6963 72 A 4.9467 9.4332 127.4915 49.9138 21.8006 174.9752 73 A 5.0130 8.9023 123.9811 50.0046 22.7336 175.0268 74 R 4.8417 8.8834 123.1550 55.1994 31.5279 174.8800 75 L 5.0537 9.0367 127.6767 53.0964 44.0466 175.3340 76 F 5.0372 8.3448 125.8956 56.3803 41.2342 174.5756 77 F 4.2510 7.9417 124.5623 55.3851 41.9233 174.2018 78 D 4.8590 8.0724 121.8485 52.9452 43.1049 173.3590 79 C 4.7442 8.6833 120.3777 57.7426 33.7659 173.4068 80 T 4.7918 8.1181 114.0189 60.5515 68.9493 171.2298 81 P 4.2387 0.0000 0.0000 62.6775 31.8115 177.0798 82 K 4.0194 8.9999 124.4121 58.2752 33.3427 176.6477 83 S 4.8648 7.7707 114.7829 57.9589 66.5421 176.7950 84 I 4.5392 8.6974 117.3755 61.0007 37.8109 175.8412 85 F 4.8350 8.6935 127.4834 57.3507 39.3710 174.8557 *87 D 4.2956 7.9511 115.2121 53.8021 42.7801 175.4956 88 L 4.6794 7.5301 119.9817 52.3735 43.9421 175.4990 89 P 5.0495 0.0000 0.0000 61.8904 30.0221 176.0352 90 V 3.5999 7.8029 124.1437 65.9373 32.5281 176.0910 91 N 4.5567 8.5708 114.1460 53.4819 36.0820 175.1702 92 G 3.9195 8.5367 103.3579 45.5666 0.0000 173.5875 93 R 4.3908 7.3893 117.9374 55.1045 31.2947 176.3308 94 R 4.4282 8.4708 123.3030 56.4504 30.9443 175.9174 95 V 4.8734 9.0557 118.8405 59.7567 36.3963 174.2588 96 Q 5.1647 9.0995 122.0177 54.2311 31.0571 175.0744 97 F 5.0703 8.2792 117.0895 56.3292 41.8774 172.8164 98 C 5.4930 8.9883 116.8856 58.2666 31.6538 172.2233 99 E 5.3112 9.2961 121.0704 54.9464 32.7505 174.0524 100 H 5.6055 9.4762 124.4124 54.1369 31.3219 173.6826 101 V 5.0217 8.7262 122.8852 59.9164 34.8676 174.4097 102 F 5.2814 9.4372 122.6171 56.0365 41.8391 174.1566 103 Y 5.2307 9.5586 120.5382 56.3177 41.4682 173.9228 104 D 5.3857 9.2485 124.4077 53.0605 42.9131 175.0136 105 F 5.0627 9.3524 125.5078 56.1652 41.0003 175.6407 106 E 4.5119 8.8691 121.5135 55.6435 32.6149 176.1328 107 Q 3.3626 9.7453 124.5358 57.1680 26.0826 174.1914 108 A 3.9394 8.3138 114.8809 52.5033 16.9171 177.9332 109 K 4.8992 7.7740 116.3750 54.7778 35.7852 175.7830 110 I 3.0645 8.4590 123.7111 61.6545 37.4213 176.3938 111 R 4.2479 9.0306 127.4691 57.0600 32.7856 175.7787 112 R 4.8823 7.5270 115.6445 54.1852 34.7939 174.5343 113 V 4.5448 7.9271 121.2240 60.7770 35.4544 174.2344 114 W 5.1565 9.2424 126.7023 55.0812 32.1261 174.1476 115 S 5.2979 9.8131 120.2270 56.3427 64.7024 173.3415 116 V 4.5288 8.8500 125.7506 61.2124 34.2515 174.2412 117 L 5.0201 8.5978 127.2555 53.6724 43.6304 177.3972 118 D 4.6305 8.8861 122.2998 52.9527 39.1851 176.8214 119 K 3.6845 8.0280 125.1053 58.8400 32.5407 177.8367 120 V 3.7388 7.8050 117.9501 65.8584 31.4199 177.5312 121 A 4.0466 8.0768 120.3458 55.3890 18.3116 179.7765 122 I 3.7275 7.3816 117.7504 64.4848 37.3061 178.3747 123 E 3.9525 8.2202 119.4157 59.6245 29.1068 179.6165 124 R 3.9543 7.9403 116.6490 59.6155 30.2469 178.9875 125 Q 4.1640 7.8373 115.9994 58.4008 28.7755 177.9477 126 L 4.4221 7.8507 118.3437 55.7500 42.0783 177.5193 127 G 3.8822 7.6901 110.0479 44.8224 0.0000 173.3385 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 T 8.03 4.31 4.20 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 1.19 0.00 0.00 4 L 8.15 3.43 0.00 1.54 1.22 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.87 4.28 0.00 2.81 2.82 0.00 0.00 7.24 8.49 0.00 0.00 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 D 7.79 4.40 0.00 2.87 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 7 I 7.75 3.86 1.99 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 1.49 0.77 1.29 0.00 0.00 8 Y 8.32 4.15 0.00 3.13 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 9 L 8.24 3.87 0.00 1.77 1.69 0.96 0.58 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 10 A 8.00 3.97 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 0.00 0.00 0.00 0.00 0.00 11 Y 7.61 2.39 0.00 2.26 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 12 L 7.49 3.33 0.00 1.46 1.52 0.89 0.69 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 13 D 7.93 4.24 0.00 2.84 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 14 S 7.77 4.07 0.00 4.22 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 15 L 7.50 3.88 0.00 1.42 1.49 0.69 -0.85 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 16 N 8.11 4.52 0.00 2.77 2.84 0.00 0.00 7.08 7.94 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 17 H 7.63 4.48 0.00 3.02 3.19 0.00 6.00 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.49 2.00 0.00 1.68 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.35 0.00 0.00 0.00 0.00 0.00 1.16 1.69 0.00 19 A 7.34 4.14 1.20 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 0.00 0.00 20 F 7.27 4.81 0.00 3.12 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 21 D 8.10 4.45 0.00 2.66 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 22 E 8.03 4.29 0.00 2.27 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 2.33 2.33 0.00 23 L 7.86 4.37 0.00 2.08 1.84 1.34 1.38 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 24 G 8.11 3.78 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 0.00 0.00 0.00 25 T 7.95 3.80 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 0.54 0.00 0.00 26 F 8.30 4.86 0.00 3.18 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 27 V 7.42 4.35 1.94 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 0.42 0.00 0.00 0.69 0.00 0.00 28 D 8.62 4.43 0.00 2.69 2.47 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 29 D 8.79 4.43 0.00 2.74 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 30 N 8.14 5.35 0.00 2.71 2.80 0.00 0.00 7.04 7.00 0.00 0.00 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 V 7.60 3.89 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 0.84 0.00 0.00 0.89 0.00 0.00 32 E 8.83 4.91 0.00 1.92 1.58 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 1.91 2.03 0.00 33 H 7.96 4.84 0.00 3.33 2.71 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.21 4.14 0.00 2.81 2.78 0.00 0.00 7.10 8.15 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 35 G 7.70 3.78 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 0.00 0.00 0.00 36 R 7.49 4.12 0.00 1.42 1.55 0.00 3.17 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 1.44 0.00 37 P 0.00 4.69 0.00 2.16 2.03 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 38 F 7.61 4.62 0.00 3.12 3.30 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 39 G 8.47 4.36 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 0.00 40 L 8.56 3.99 0.00 1.92 1.71 0.93 0.91 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 41 S 8.08 4.20 0.00 4.06 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 42 G 7.65 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 0.00 0.00 0.00 43 Y 7.59 3.64 0.00 3.23 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 44 R 8.17 3.98 0.00 2.01 2.02 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 45 D 7.62 4.49 0.00 2.69 2.54 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 *47 L 7.93 4.22 0.00 1.31 1.57 1.16 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.64 3.54 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 0.99 0.00 0.00 0.71 0.00 0.00 49 K 8.05 3.93 0.00 1.99 1.74 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 D 8.11 4.32 0.00 2.83 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.41 4.32 0.00 3.20 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 52 A 7.82 4.09 1.41 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 0.00 0.00 0.00 53 D 8.58 4.59 0.00 2.73 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 54 I 7.57 4.89 1.53 0.00 0.00 -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 0.88 0.43 0.69 0.00 0.00 55 P 0.00 4.49 0.00 2.05 2.18 0.00 3.68 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 56 D 7.89 4.77 0.00 2.77 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 57 L 7.60 3.81 0.00 1.42 0.98 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.02 4.87 0.00 1.79 1.69 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 59 F 9.54 4.53 0.00 3.05 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 60 E 8.18 4.61 0.00 1.96 1.66 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 2.29 2.32 0.00 61 A 8.73 4.73 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 62 E 9.48 4.25 0.00 1.94 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 0.00 2.25 2.21 0.00 63 I 7.64 4.75 1.84 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 1.33 0.55 0.89 0.00 0.00 64 L 8.64 5.14 0.00 1.49 1.53 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.72 4.59 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 1.01 0.00 0.00 0.91 0.00 0.00 66 S 8.54 5.18 0.00 3.89 3.71 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 67 D 8.51 4.89 0.00 2.75 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 68 A 8.88 4.15 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 69 T 8.16 4.77 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 1.26 0.00 0.00 70 R 8.76 5.54 0.00 1.88 2.03 0.00 3.16 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.75 0.00 71 L 9.27 5.29 0.00 1.64 1.61 0.69 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.43 4.95 0.67 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 0.00 0.00 73 A 8.90 5.01 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 74 R 8.88 4.84 0.00 1.81 1.83 0.00 3.14 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 75 L 9.04 5.05 0.00 1.67 1.12 1.46 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.34 5.04 0.00 3.00 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 77 F 7.94 4.25 0.00 1.51 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 0.00 0.00 0.00 78 D 8.07 4.86 0.00 2.13 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 0.00 0.00 0.00 0.00 79 C 8.68 4.74 0.00 3.03 2.83 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 80 T 8.12 4.79 4.20 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 1.23 0.00 0.00 81 P 0.00 4.24 0.00 2.00 1.74 0.00 3.73 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 1.99 1.62 0.00 82 K 9.00 4.02 0.00 1.70 1.85 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.38 7.81 83 S 7.77 4.86 0.00 3.84 2.83 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 84 I 8.70 4.54 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 1.30 0.65 0.90 0.00 0.00 85 F 8.69 4.84 0.00 2.90 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 *87 D 7.95 4.30 0.00 2.65 2.66 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 88 L 7.53 4.68 0.00 1.83 1.53 0.83 0.97 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 89 P 0.00 5.05 0.00 2.18 2.09 0.00 3.76 0.00 0.00 3.57 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 90 V 7.80 3.60 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 1.02 0.00 0.00 1.01 0.00 0.00 91 N 8.57 4.56 0.00 2.87 2.86 0.00 0.00 7.04 7.27 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 92 G 8.54 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 0.00 0.00 0.00 93 R 7.39 4.39 0.00 1.80 1.87 0.00 3.18 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 94 R 8.47 4.43 0.00 1.82 1.84 0.00 3.18 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 95 V 9.06 4.87 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 0.84 0.00 0.00 1.08 0.00 0.00 96 Q 9.10 5.16 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 97 F 8.28 5.07 0.00 3.16 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 98 C 8.99 5.49 0.00 3.04 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 99 E 9.30 5.31 0.00 2.48 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 2.43 2.48 0.00 100 H 9.48 5.61 0.00 3.18 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.73 5.02 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 1.24 0.00 0.00 0.38 0.00 0.00 102 F 9.44 5.28 0.00 3.29 3.23 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 0.00 103 Y 9.56 5.23 0.00 3.08 2.66 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 0.00 104 D 9.25 5.39 0.00 3.24 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 0.00 105 F 9.35 5.06 0.00 3.14 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 0.00 106 E 8.87 4.51 0.00 1.97 1.83 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 2.26 2.30 0.00 107 Q 9.75 3.36 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.33 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 108 A 8.31 3.94 1.42 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 0.00 0.00 109 K 7.77 4.90 0.00 1.70 1.74 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.55 7.81 110 I 8.46 3.06 1.42 0.00 0.00 -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 0.31 -0.14 0.81 0.00 0.00 111 R 9.03 4.25 0.00 1.80 1.97 0.00 3.02 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 112 R 7.53 4.88 0.00 1.19 0.66 0.00 3.21 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 113 V 7.93 4.54 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 0.80 0.00 0.00 1.14 0.00 0.00 114 W 9.24 5.16 0.00 3.37 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 0.00 115 S 9.81 5.30 0.00 3.84 3.74 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 0.00 116 V 8.85 4.53 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 1.06 0.00 0.00 1.02 0.00 0.00 117 L 8.60 5.02 0.00 1.51 1.56 0.86 1.37 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 0.00 118 D 8.89 4.63 0.00 2.89 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 0.00 119 K 8.03 3.68 0.00 1.74 1.72 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.55 1.35 7.81 120 V 7.81 3.74 2.23 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 1.08 0.00 0.00 0.93 0.00 0.00 121 A 8.08 4.05 1.53 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 0.00 0.00 0.00 122 I 7.38 3.73 1.92 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 0.92 0.00 0.00 123 E 8.22 3.95 0.00 2.17 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 2.30 2.48 0.00 124 R 7.94 3.95 0.00 1.97 2.03 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 125 Q 7.84 4.16 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 126 L 7.85 4.42 0.00 1.65 1.72 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 127 G 7.69 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.