NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7863 8.3549 109.7268 45.4915 0.0000 174.7139 *2 I 4.0049 7.5827 120.3582 61.4609 39.3991 177.9415 3 T 3.7924 7.7058 110.6988 64.8717 68.7331 176.7539 4 S 4.0357 7.8743 117.2037 60.7519 63.0295 176.2327 5 I 3.5855 7.6199 122.6662 64.1332 36.9944 178.0803 6 A 3.9616 7.9010 121.4578 54.9848 18.2258 179.5781 7 R 2.6623 7.4898 116.8939 59.3466 30.0538 178.5629 8 Q 3.9347 7.8791 119.2874 59.0818 29.0224 177.9827 9 S 4.0914 8.2094 114.2743 61.5669 62.4547 176.3372 10 I 3.8932 7.7865 122.3136 64.3673 36.8086 178.4174 11 I 4.1372 8.0192 120.6457 64.6492 36.9866 178.4036 12 L 4.0011 8.1938 119.7965 57.8312 41.4115 179.7804 13 K 3.9604 8.2589 118.3333 59.7934 31.7862 179.2488 14 C 4.0298 8.0843 115.8744 62.4923 28.0741 175.8551 15 L 4.1098 7.9441 120.3819 57.6950 41.3227 179.2595 16 R 3.9319 7.9323 116.5989 56.1417 31.1783 176.3458 17 Q 2.5200 7.5789 116.2785 56.0809 26.2154 173.3127 18 K 4.4800 6.2848 114.3500 55.6694 36.7505 178.4428 19 S 3.9585 8.8508 116.3768 57.7874 61.9049 169.3468 20 V 4.6600 7.9116 111.7432 59.3460 35.5262 174.9794 21 L 4.1970 8.3268 120.8637 55.3712 41.5896 177.7946 22 V 4.5848 8.9294 115.0995 60.5242 33.2493 175.9091 23 S 4.7858 7.2261 113.8946 56.4406 66.5515 175.1728 24 N 4.5987 8.7085 120.2651 56.3940 38.4161 177.3604 25 Y 4.3526 7.6496 118.0403 61.2633 38.0123 178.2359 26 E 4.1114 8.3423 119.4224 59.3172 29.5377 179.0643 27 L 3.8748 7.9531 120.2810 58.6267 42.1749 178.7879 28 Y 4.1265 8.6873 116.8786 61.0796 37.8080 177.8595 29 Y 4.5879 8.0994 121.4111 60.6532 39.0044 178.0977 30 T 3.6898 8.2296 116.5381 66.5391 68.5508 176.3889 31 A 4.0690 8.4515 123.2009 55.0042 18.4149 179.9326 32 G 2.4764 7.5837 104.0551 47.5478 0.0000 175.8939 33 L 3.6707 7.3160 121.4594 57.1535 41.4949 179.5171 34 A 3.4685 7.7637 120.6583 54.7112 18.3070 179.5257 35 K 3.9627 7.8589 118.0812 59.4856 32.0667 178.8544 36 K 3.7628 7.5071 118.2355 59.8897 32.2378 178.2736 37 C 4.1651 7.9919 115.7337 61.7233 28.1534 174.5552 38 F 4.9466 8.0152 116.7048 56.4846 40.1834 176.4176 39 G 3.9452 8.2359 108.2132 46.0696 0.0000 173.7603 40 I 3.8547 7.7667 119.8785 60.8568 37.7839 177.3032 41 A 4.3793 8.3649 128.9542 51.2374 16.4366 176.6079 42 V 4.5722 7.5896 114.3484 59.0273 35.1191 174.9869 43 D 4.2504 7.8317 119.0104 51.3011 42.1414 175.3706 44 A 3.5581 7.6502 125.4485 55.7859 18.6773 179.2328 45 D 4.6256 7.4746 115.5300 52.1720 38.2163 179.4728 *47 E 4.1397 7.7335 123.9997 54.8688 32.5195 174.2716 48 P 4.2962 0.0000 0.0000 66.1814 31.4219 179.2482 49 K 3.9848 7.9770 116.4270 59.2713 32.0433 178.9643 50 Q 3.9157 8.0410 119.4253 59.1055 29.0025 178.0128 51 L 3.8513 8.1539 121.5435 58.2103 42.0810 178.7350 52 L 3.9628 7.8914 120.1614 57.9523 41.9768 178.4419 53 E 3.8817 8.5499 119.7567 59.2706 29.5976 178.4229 54 E 3.9263 8.1989 119.2304 59.2690 29.6262 178.7543 55 L 4.0336 7.9896 118.9347 58.0838 41.5446 179.6221 56 Q 4.0256 8.3215 116.6465 58.4120 28.6459 178.5513 57 K 4.0640 7.8953 119.0257 58.8168 32.2698 177.2906 58 H 4.9068 7.6802 111.2892 55.0204 30.8759 175.3815 59 I 3.5690 8.1417 113.8673 63.9822 37.1477 177.4467 60 D 4.4639 7.9607 118.0281 55.4049 40.8989 176.6608 61 K 4.3227 7.6682 117.5409 56.1251 32.9994 177.0014 62 V 3.4824 7.0794 119.1916 62.4284 31.8118 175.4393 63 S 4.5221 8.1825 121.3475 55.5241 62.3398 171.7931 64 P 4.5411 0.0000 0.0000 62.5729 31.7174 176.8256 65 A 4.1911 9.4341 124.5348 54.5259 18.8695 177.0661 66 D 4.5535 7.5024 114.3335 51.7597 43.1507 175.9545 67 E 3.9974 8.5190 118.1225 59.5076 29.2322 179.6527 68 Q 3.5388 7.7154 117.8300 58.7344 28.3419 178.2521 69 E 4.2524 8.6142 119.7524 59.2518 29.3218 179.2800 70 K 3.9928 8.2068 119.9036 59.6942 32.1659 178.2964 71 Y 3.8106 8.1212 119.8492 60.3429 38.6232 177.5421 72 L 4.1064 8.0873 120.2555 57.9669 41.8164 179.5873 73 I 3.7243 7.6440 119.4012 64.4931 36.7995 177.9108 74 H 3.9707 7.4233 117.9052 59.1368 29.4056 176.9040 75 L 4.0108 7.8735 120.9981 57.9473 41.3218 179.5588 76 L 4.2937 8.0186 117.0011 56.6980 41.7151 178.6866 77 G 3.9450 7.6947 103.5886 44.7533 0.0000 173.6715 78 N 5.0842 7.5743 116.1780 51.0403 39.3162 173.2375 79 Y 4.8536 7.5587 117.8485 56.2456 42.3923 173.9532 80 E 4.2092 7.8673 126.6370 53.5839 29.7964 174.0952 81 P 4.0875 0.0000 0.0000 62.1908 32.3093 176.1850 82 D 4.7818 8.1380 119.5029 52.1313 41.5983 176.1535 83 D 4.6832 8.4427 118.9491 53.9669 39.4205 176.0949 84 T 3.9758 7.9784 117.8368 64.3755 68.8374 175.2978 85 H 4.7230 8.5478 126.8671 53.9314 30.6259 171.4469 86 D 4.7707 7.3411 123.4273 51.8473 43.6884 176.2400 87 E 3.9308 8.6265 118.1988 59.8740 29.2760 178.9227 88 Q 4.1034 8.2548 117.8510 58.7415 28.8274 178.2548 89 T 3.9426 8.4631 111.0958 64.7173 68.6474 176.7763 90 V 3.6221 7.5428 120.6525 65.6858 31.3719 177.6453 91 E 4.0718 7.9521 117.5593 59.3700 29.7302 178.3012 92 L 4.2769 8.3402 119.2739 57.7730 41.6306 179.3100 93 F 4.2956 8.6199 120.5201 61.5358 39.5270 178.6381 94 H 5.2962 7.8457 116.7623 55.2838 28.3636 177.8946 *96 G 3.3585 8.1169 111.2390 45.3648 0.0000 175.9850 97 E 3.8354 7.9280 118.9495 58.2397 29.6698 178.2597 98 T 4.3302 7.4471 107.4023 60.7850 68.9406 173.5596 99 E 3.7970 7.5316 123.2285 57.5785 29.4004 176.5988 100 E 4.2636 8.6375 125.2275 57.2651 31.2228 175.9425 101 H 4.8829 8.1709 115.6067 54.0541 29.2222 173.4567 102 I 3.4076 7.3343 119.0370 62.0566 38.6254 175.1599 103 W 3.9041 8.1946 125.2758 57.4462 26.4044 173.3424 104 Q 4.5511 7.8248 119.9206 54.1208 29.1348 175.9985 105 V 3.8985 8.2553 119.0943 61.2294 32.4679 176.5946 106 S 4.3309 8.4035 115.2249 58.6415 63.1883 174.1036 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 0 G 8.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.58 4.00 1.51 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 -0.20 0.00 0.00 3 T 7.71 3.79 4.19 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 1.16 0.00 0.00 4 S 7.87 4.04 0.00 4.01 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 5 I 7.62 3.59 1.93 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 1.54 0.49 0.89 0.00 0.00 6 A 7.90 3.96 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 7 R 7.49 2.66 0.00 1.30 1.77 0.00 2.92 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.00 8 Q 7.88 3.93 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 9 S 8.21 4.09 0.00 4.02 4.03 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 10 I 7.79 3.89 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.26 1.25 0.00 0.00 11 I 8.02 4.14 2.10 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 1.81 1.06 1.12 0.00 0.00 12 L 8.19 4.00 0.00 1.76 1.72 0.93 1.11 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 13 K 8.26 3.96 0.00 2.06 2.07 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.68 7.81 14 C 8.08 4.03 0.00 2.81 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 15 L 7.94 4.11 0.00 1.54 1.66 1.03 0.88 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 16 R 7.93 3.93 0.00 1.71 1.87 0.00 3.28 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 17 Q 7.58 2.52 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 18 K 6.28 4.48 0.00 1.59 1.62 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.28 7.81 19 S 8.85 3.96 0.00 4.06 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 0.00 20 V 7.91 4.66 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 0.88 0.00 0.00 1.01 0.00 0.00 21 L 8.33 4.20 0.00 1.02 0.74 0.72 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.93 4.58 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 0.81 0.00 0.00 1.02 0.00 0.00 23 S 7.23 4.79 0.00 4.11 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 24 N 8.71 4.60 0.00 2.68 3.03 0.00 0.00 6.86 7.48 0.00 0.00 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 Y 7.65 4.35 0.00 3.07 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 26 E 8.34 4.11 0.00 2.19 2.02 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 2.40 2.40 0.00 27 L 7.95 3.87 0.00 1.65 2.01 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.69 4.13 0.00 3.23 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 29 Y 8.10 4.59 0.00 3.15 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 30 T 8.23 3.69 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 1.23 0.00 0.00 31 A 8.45 4.07 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.32 3.67 0.00 1.51 1.34 0.45 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.76 3.47 1.44 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 35 K 7.86 3.96 0.00 1.86 1.83 0.00 2.14 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.67 7.81 36 K 7.51 3.76 0.00 1.74 1.73 0.00 1.66 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.35 7.81 37 C 7.99 4.17 0.00 1.93 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 38 F 8.02 4.95 0.00 3.10 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 39 G 8.24 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 40 I 7.77 3.85 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.73 0.99 0.00 0.00 41 A 8.36 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.59 4.57 2.21 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 0.85 0.00 0.00 1.26 0.00 0.00 43 D 7.83 4.25 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 44 A 7.65 3.56 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 0.00 0.00 0.00 0.00 0.00 45 D 7.47 4.63 0.00 2.76 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 *47 E 7.73 4.14 0.00 1.99 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 0.00 2.30 2.37 0.00 48 P 0.00 4.30 0.00 2.27 2.28 0.00 3.64 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 2.30 2.53 0.00 49 K 7.98 3.98 0.00 1.78 1.83 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 50 Q 8.04 3.92 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 51 L 8.15 3.85 0.00 1.68 1.72 0.82 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.89 3.96 0.00 1.95 1.77 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.55 3.88 0.00 2.12 2.09 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 2.29 2.30 0.00 54 E 8.20 3.93 0.00 2.14 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 2.46 2.45 0.00 55 L 7.99 4.03 0.00 1.92 1.74 0.93 0.82 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 56 Q 8.32 4.03 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 57 K 7.90 4.06 0.00 1.69 1.52 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.62 7.81 58 H 7.68 4.91 0.00 3.21 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.14 3.57 1.82 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 1.37 0.78 1.02 0.00 0.00 60 D 7.96 4.46 0.00 2.65 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 61 K 7.67 4.32 0.00 1.85 1.81 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.49 7.81 62 V 7.08 3.48 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 -0.31 0.00 0.00 0.54 0.00 0.00 63 S 8.18 4.52 0.00 3.82 3.76 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 64 P 0.00 4.54 0.00 2.50 2.11 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 65 A 9.43 4.19 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 66 D 7.50 4.55 0.00 2.87 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 67 E 8.52 4.00 0.00 1.89 1.97 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 2.36 2.30 0.00 68 Q 7.72 3.54 0.00 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.76 0.00 69 E 8.61 4.25 0.00 2.33 2.44 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 2.56 2.72 0.00 70 K 8.21 3.99 0.00 1.95 2.02 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 71 Y 8.12 3.81 0.00 3.22 2.96 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 0.00 0.00 0.00 0.00 72 L 8.09 4.11 0.00 2.23 1.92 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.64 3.72 1.99 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.26 0.85 0.00 0.00 74 H 7.42 3.97 0.00 2.73 2.68 0.00 5.96 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 75 L 7.87 4.01 0.00 1.87 1.69 1.09 0.80 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 L 8.02 4.29 0.00 1.65 1.76 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.69 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 78 N 7.57 5.08 0.00 2.66 2.68 0.00 0.00 6.64 7.34 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 79 Y 7.56 4.85 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.87 4.21 0.00 1.76 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 2.11 2.16 0.00 81 P 0.00 4.09 0.00 2.18 2.12 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 82 D 8.14 4.78 0.00 2.80 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 83 D 8.44 4.68 0.00 2.81 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 84 T 7.98 3.98 4.11 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 0.87 0.00 0.00 85 H 8.55 4.72 0.00 3.01 3.12 0.00 5.55 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 86 D 7.34 4.77 0.00 3.00 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 87 E 8.63 3.93 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 2.39 2.42 0.00 88 Q 8.25 4.10 0.00 2.42 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 89 T 8.46 3.94 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 1.07 0.00 0.00 90 V 7.54 3.62 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 1.05 0.00 0.00 0.95 0.00 0.00 91 E 7.95 4.07 0.00 2.07 2.02 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 2.35 2.45 0.00 92 L 8.34 4.28 0.00 2.17 1.98 1.08 1.13 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 93 F 8.62 4.30 0.00 3.42 3.28 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 94 H 7.85 5.30 0.00 3.48 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 G 8.12 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 0.00 0.00 0.00 97 E 7.93 3.84 0.00 2.05 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 2.53 2.24 0.00 98 T 7.45 4.33 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 1.27 0.00 0.00 99 E 7.53 3.80 0.00 1.82 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 2.06 2.24 0.00 100 E 8.64 4.26 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.46 0.00 101 H 8.17 4.88 0.00 3.13 3.17 0.00 5.62 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.33 3.41 1.51 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.28 0.75 0.00 0.00 103 W 8.19 3.90 0.00 3.54 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 0.00 104 Q 7.82 4.55 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 105 V 8.26 3.90 2.09 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 0.81 0.00 0.00 0.95 0.00 0.00 106 S 8.40 4.33 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.