NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.5062 0.0000 0.0000 62.3763 32.5261 175.2231 4 E 4.7363 8.6938 123.9122 53.1972 33.5480 172.6528 5 L 3.5822 9.4167 129.9072 54.9463 42.3474 176.0358 6 K 4.2434 8.6614 127.8085 59.1374 32.8044 177.2313 7 S 4.5472 7.2840 112.0370 57.7184 65.8896 173.6674 8 S 4.9087 7.9512 113.3153 56.9266 66.7133 173.2829 9 V 4.4885 8.5060 120.6602 60.4964 34.1525 173.2639 10 P 4.4116 0.0000 0.0000 62.3671 32.1031 176.2780 11 Q 4.0896 8.5310 121.0698 54.7246 29.7781 175.3501 12 A 4.3401 7.9682 126.3452 54.0016 18.7463 177.3128 13 D 4.6186 9.7834 121.6165 54.9741 39.3114 174.2352 14 S 4.7560 7.9748 114.5700 57.5277 65.4531 172.9808 15 A 5.3031 8.4975 121.5500 50.5578 20.9659 175.5741 16 V 4.6506 8.8503 114.2774 59.8030 36.8990 175.0376 17 A 4.5134 8.5956 122.6810 51.4753 19.1763 177.4914 18 A 3.9069 8.7206 122.4660 52.1568 18.6819 176.2634 19 P 4.5158 0.0000 0.0000 62.4578 32.3475 176.6528 20 E 4.1341 8.6486 119.9741 59.0236 29.8180 176.6896 21 K 4.6629 7.4545 114.9362 56.0537 35.7078 174.9707 22 I 4.5482 8.7651 122.3040 59.6224 39.8091 174.4035 23 Q 4.7751 9.0935 129.1499 54.3295 31.3699 173.9520 24 L 4.7424 8.4919 125.9435 53.0306 44.5749 174.8140 25 N 5.0727 8.5816 122.4198 51.5338 40.6794 174.6586 26 F 5.1290 8.9718 123.1898 55.5779 41.3383 176.2185 27 S 4.4345 8.9042 114.3155 60.3753 63.3730 174.0683 28 E 4.7967 7.9853 118.1548 54.0030 33.4400 174.6706 29 N 4.5778 8.5981 118.0788 53.5347 39.0369 175.3246 30 L 4.3811 8.3524 123.4886 54.7048 42.7560 177.6659 31 T 4.2833 8.4881 120.3586 61.4684 67.6132 175.4316 32 V 3.5999 7.9864 126.6013 65.4153 31.9108 178.3570 33 K 3.9930 7.8535 117.5220 58.9882 32.3692 177.0650 34 F 5.1727 7.8688 116.1414 57.5102 39.8756 175.5495 35 S 4.8575 7.7778 115.5149 56.9642 65.5518 172.7506 36 G 4.1487 8.7840 107.0677 46.8809 0.0000 171.9879 37 A 5.4079 8.4377 119.5352 51.0543 22.0350 175.7847 38 K 4.7739 9.3474 118.4118 55.1821 36.8456 174.8406 39 L 5.2527 8.4986 122.1799 53.6078 45.1877 174.3070 40 T 4.7203 8.6605 124.5620 63.0939 72.3139 176.0396 *42 T 4.2149 8.8795 115.6008 62.2814 70.7495 173.5518 43 G 3.8074 7.1629 110.0871 44.4277 0.0000 171.7040 *45 K 4.0940 8.3546 119.6041 57.4360 32.8289 175.6693 46 G 3.7221 8.5990 114.4564 46.0684 0.0000 173.0423 *48 S 4.2102 7.6682 111.7589 58.0468 64.0428 173.6456 49 S 4.4109 8.3923 115.3225 59.4796 62.9829 174.6521 50 H 4.9390 7.8044 117.2421 55.3789 29.4335 174.9318 51 S 4.7016 7.6951 112.2278 55.6922 62.5445 172.3281 52 P 4.3202 0.0000 0.0000 62.7371 31.8452 174.4133 *54 P 4.2391 0.0000 0.0000 62.9117 32.6853 176.3259 55 V 4.4255 8.4315 122.5764 60.6896 33.4229 175.2992 56 A 4.2528 8.9100 130.3484 52.7479 19.2387 175.9730 57 A 5.1433 8.3781 122.0128 50.8035 22.7428 175.3486 58 K 4.6984 9.0959 118.1538 55.0802 35.9954 175.2523 59 V 4.9677 8.4607 121.3013 61.3043 33.5364 174.4635 60 A 4.9707 8.7865 128.2872 49.1841 22.3626 174.0317 61 P 4.3665 0.0000 0.0000 62.7139 32.2605 176.6885 62 G 3.9915 8.8635 110.8718 43.8106 0.0000 173.8282 63 A 4.0313 8.4608 121.9427 54.2832 18.7992 177.5588 64 D 4.7644 7.8359 115.9953 52.0795 42.4851 175.0898 65 P 4.4465 0.0000 0.0000 64.4433 31.6041 177.2302 66 K 4.6698 9.0416 119.4039 56.3940 32.4252 175.9622 67 S 5.2317 7.7127 114.0813 55.6934 65.7743 172.7507 *69 V 4.1319 8.0301 111.2258 61.9496 33.3202 174.5937 70 I 4.7617 8.8871 125.1802 59.8082 39.4191 174.6252 71 I 4.6916 8.8255 128.7768 58.7123 39.0126 173.6501 72 P 4.6857 0.0000 0.0000 62.8840 31.8111 176.7600 73 R 4.6678 8.9788 121.7017 56.0209 30.6687 175.7956 74 E 4.7464 7.7984 115.9304 53.6777 32.8026 173.2097 75 P 4.3630 0.0000 0.0000 62.6586 31.8852 176.6915 76 L 4.6206 8.0142 120.3872 52.2535 41.9196 175.0150 77 P 4.4661 0.0000 0.0000 61.6795 32.0638 176.6327 78 A 4.2426 8.6423 123.2627 51.4883 19.0907 178.2470 79 G 3.8202 7.5851 108.4651 46.2179 0.0000 170.4386 80 T 4.9091 7.3972 115.9433 61.9727 70.9897 173.7605 81 Y 4.6987 8.6623 122.8855 55.9612 42.3898 174.3815 82 R 4.9865 9.0373 122.1501 54.5507 33.5660 174.1109 83 V 4.8364 8.6698 126.4837 61.3135 33.8155 173.8118 84 D 5.5731 9.0269 127.9154 52.2382 43.5543 175.3156 85 W 5.6702 8.6845 119.7659 54.7417 32.4826 174.2664 86 R 5.0519 9.5791 120.7204 54.8513 32.7747 173.4944 87 A 4.9284 9.8495 128.6071 50.0586 22.1543 174.9659 88 V 4.7303 8.4912 121.0636 61.3002 35.4547 175.0637 89 S 4.9079 8.3124 121.4564 56.4283 65.6521 174.2993 90 S 4.1838 8.6611 115.0036 61.8411 62.5573 175.4392 91 D 4.3906 7.7836 119.0814 55.3705 41.1565 175.7815 92 T 3.3903 8.1003 114.7646 65.3207 66.0845 172.1197 93 H 4.6435 8.1097 120.8276 53.2527 30.9864 170.5945 94 P 4.6066 0.0000 0.0000 63.0950 31.9899 176.0321 95 I 4.8194 9.0047 124.6727 59.6718 40.5689 174.7001 96 T 4.5538 8.2004 115.9018 60.1376 71.9857 172.7835 97 G 3.4678 6.6432 108.4998 46.0335 0.0000 171.3373 98 N 6.0507 8.6837 115.8314 53.5675 40.0643 172.9756 99 Y 5.0034 8.1191 115.8526 56.8477 41.2853 173.0713 100 T 5.3557 8.7580 116.1062 62.1251 72.5540 173.0208 101 F 5.4008 8.8326 117.6712 56.2747 42.1022 172.9885 102 T 5.1082 9.4567 116.3098 61.8480 72.0741 173.2496 103 V 5.0312 9.0786 125.5292 61.0929 33.7829 175.7775 104 K 4.3363 8.9694 126.9091 57.0146 32.2131 176.0105 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 P 0.00 4.51 0.00 2.16 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 4 E 8.69 4.74 0.00 2.08 1.78 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 2.24 2.44 0.00 5 L 9.42 3.58 0.00 0.78 1.40 -0.21 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.66 4.24 0.00 1.64 1.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.31 7.81 7 S 7.28 4.55 0.00 3.69 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 8 S 7.95 4.91 0.00 3.70 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 9 V 8.51 4.49 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 0.91 0.00 0.00 0.83 0.00 0.00 10 P 0.00 4.41 0.00 1.28 1.69 0.00 3.21 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.76 0.00 11 Q 8.53 4.09 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 12 A 7.97 4.34 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 13 D 9.78 4.62 0.00 2.86 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.97 4.76 0.00 3.97 4.04 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 15 A 8.50 5.30 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.85 4.65 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 0.74 0.00 0.00 0.97 0.00 0.00 17 A 8.60 4.51 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 18 A 8.72 3.91 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.52 0.00 2.30 1.94 0.00 3.79 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 1.95 1.83 0.00 20 E 8.65 4.13 0.00 1.96 2.04 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 2.30 2.28 0.00 21 K 7.45 4.66 0.00 1.78 1.73 0.00 1.37 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.30 1.49 7.81 22 I 8.77 4.55 1.89 0.00 0.00 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 1.11 1.00 0.99 0.00 0.00 23 Q 9.09 4.78 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 24 L 8.49 4.74 0.00 1.69 1.16 1.11 0.72 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 25 N 8.58 5.07 0.00 2.49 2.59 0.00 0.00 6.44 8.90 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 26 F 8.97 5.13 0.00 2.92 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 27 S 8.90 4.43 0.00 3.91 4.01 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 28 E 7.99 4.80 0.00 1.94 1.85 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 2.22 2.34 0.00 29 N 8.60 4.58 0.00 2.70 2.75 0.00 0.00 6.96 7.85 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 30 L 8.35 4.38 0.00 1.58 1.49 0.85 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.49 4.28 4.33 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 0.78 0.00 0.00 32 V 7.99 3.60 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 1.01 0.00 0.00 0.90 0.00 0.00 33 K 7.85 3.99 0.00 1.78 1.78 0.00 1.20 0.00 0.00 1.41 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.26 7.81 34 F 7.87 5.17 0.00 3.04 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 35 S 7.78 4.86 0.00 3.74 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 36 G 8.78 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 37 A 8.44 5.41 1.35 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 0.00 0.00 0.00 38 K 9.35 4.77 0.00 1.78 1.89 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.39 7.81 39 L 8.50 5.25 0.00 1.82 1.57 1.07 0.70 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 40 T 8.66 4.72 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 1.17 0.00 0.00 *42 T 8.88 4.21 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 1.12 0.00 0.00 43 G 7.16 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 0.00 0.00 0.00 *45 K 8.35 4.09 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.44 7.81 46 G 8.60 3.72 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 0.00 0.00 0.00 *48 S 7.67 4.21 0.00 4.02 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 49 S 8.39 4.41 0.00 3.64 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.80 4.94 0.00 3.09 3.24 0.00 5.60 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.70 4.70 0.00 3.90 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 52 P 0.00 4.32 0.00 2.16 2.10 0.00 3.89 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 *54 P 0.00 4.24 0.00 1.99 2.07 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 55 V 8.43 4.43 2.27 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 0.83 0.00 0.00 1.10 0.00 0.00 56 A 8.91 4.25 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 57 A 8.38 5.14 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 58 K 9.10 4.70 0.00 1.80 1.89 0.00 1.28 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.35 7.81 59 V 8.46 4.97 2.12 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 0.86 0.00 0.00 0.99 0.00 0.00 60 A 8.79 4.97 1.18 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 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.37 0.00 2.08 2.05 0.00 3.76 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 1.98 1.96 0.00 62 G 8.86 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.46 4.03 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 64 D 7.84 4.76 0.00 2.67 2.53 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 65 P 0.00 4.45 0.00 2.25 2.27 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 66 K 9.04 4.67 0.00 1.93 2.11 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.43 7.81 67 S 7.71 5.23 0.00 4.10 4.05 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 *69 V 8.03 4.13 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 0.71 0.00 0.00 1.00 0.00 0.00 70 I 8.89 4.76 1.91 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 1.30 0.82 0.96 0.00 0.00 71 I 8.83 4.69 1.88 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 1.23 0.64 0.92 0.00 0.00 72 P 0.00 4.69 0.00 1.93 1.99 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 73 R 8.98 4.67 0.00 1.76 1.96 0.00 3.13 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 74 E 7.80 4.75 0.00 2.03 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 2.19 2.35 0.00 75 P 0.00 4.36 0.00 2.09 2.04 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 76 L 8.01 4.62 0.00 1.53 1.34 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.47 0.00 2.10 2.03 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 78 A 8.64 4.24 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 79 G 7.59 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 80 T 7.40 4.91 4.07 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 1.17 0.00 0.00 81 Y 8.66 4.70 0.00 1.64 2.45 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 0.00 0.00 0.00 0.00 82 R 9.04 4.99 0.00 1.75 1.68 0.00 3.04 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 83 V 8.67 4.84 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 1.05 0.00 0.00 0.84 0.00 0.00 84 D 9.03 5.57 0.00 2.62 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 85 W 8.68 5.67 0.00 3.61 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 86 R 9.58 5.05 0.00 1.88 1.86 0.00 3.05 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 87 A 9.85 4.93 0.76 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 0.00 0.00 88 V 8.49 4.73 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 1.11 0.00 0.00 1.06 0.00 0.00 89 S 8.31 4.91 0.00 4.02 3.98 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 90 S 8.66 4.18 0.00 3.90 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 91 D 7.78 4.39 0.00 2.61 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 92 T 8.10 3.39 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 1.19 0.00 0.00 93 H 8.11 4.64 0.00 3.28 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.61 0.00 1.93 1.98 0.00 3.53 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 95 I 9.00 4.82 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.15 1.20 0.00 0.00 96 T 8.20 4.55 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 1.13 0.00 0.00 97 G 6.64 3.47 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 0.00 98 N 8.68 6.05 0.00 2.75 2.81 0.00 0.00 6.22 7.55 0.00 0.00 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 Y 8.12 5.00 0.00 3.13 3.20 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 0.00 100 T 8.76 5.36 4.34 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 1.29 0.00 0.00 101 F 8.83 5.40 0.00 3.31 3.35 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 0.00 102 T 9.46 5.11 4.33 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 1.29 0.00 0.00 103 V 9.08 5.03 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 1.12 0.00 0.00 0.94 0.00 0.00 104 K 8.97 4.34 0.00 1.78 1.79 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.