NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9830 8.2127 109.7420 45.0699 0.0000 173.8288 3 L 3.7922 8.5047 119.3976 57.7756 41.7288 177.6264 4 L 3.9665 8.0370 118.7542 57.7869 41.7811 178.7079 5 S 4.0941 8.0398 112.5056 61.4930 62.3778 176.1020 6 R 3.9586 8.1142 120.6748 59.4783 29.8686 179.1042 7 L 4.0412 8.2696 118.8891 57.8168 41.3897 179.7450 8 R 4.0544 8.0470 116.9591 58.2626 29.9566 178.1223 9 K 4.4090 7.3301 115.9681 54.9663 32.4515 176.2320 10 R 3.8663 7.7349 116.7963 57.1442 28.2326 175.9340 11 E 4.4467 7.9366 116.6672 54.3421 30.6340 175.1723 12 P 4.4080 0.0000 0.0000 62.4146 32.0677 176.1380 13 I 3.8437 8.1418 121.7500 61.2203 37.6073 177.1032 14 S 4.4848 8.5258 120.6618 57.7452 65.2764 175.2990 15 I 3.6903 8.2345 123.0986 64.6556 36.8064 177.6652 16 Y 4.1556 8.4827 120.8299 61.2847 38.5857 178.3755 17 D 4.2963 8.4715 119.6412 57.0857 40.7581 178.8401 18 K 4.1164 8.0897 118.4721 59.0014 32.8190 178.2980 19 I 4.1639 7.2880 112.3490 60.4911 38.0321 176.1260 20 G 3.9630 7.7978 109.3188 45.0026 0.0000 176.2063 21 G 2.5819 8.0695 108.7786 45.4006 0.0000 174.7451 22 H 4.1262 8.6282 116.8961 59.4404 29.9352 177.7937 23 E 3.9158 8.1896 120.3377 59.1877 29.4376 178.4730 24 A 3.9233 7.8122 120.2435 55.2735 18.5043 179.5009 25 I 3.5874 7.6899 118.2906 64.4393 37.1666 178.4992 26 E 3.9885 8.3423 119.5650 59.4847 29.3486 179.6575 27 V 3.6073 7.7306 118.1585 65.8801 31.5928 178.2427 28 V 3.5071 7.9755 118.2011 66.0230 31.4177 178.1662 29 V 3.7147 8.2006 118.4399 65.8434 31.3555 177.3852 30 E 4.0424 8.3709 119.0958 59.5073 29.0140 178.3702 31 D 4.2776 8.1010 117.7853 57.2427 41.2311 177.5255 32 F 4.1294 8.5725 121.6970 61.8619 39.1652 177.4004 33 F 3.6825 8.2269 116.7441 59.8454 38.7078 177.9186 34 V 3.5375 7.7874 118.2565 66.0700 31.0651 178.2467 35 R 3.7335 7.6944 116.2064 59.1815 30.2272 178.8937 36 V 3.4059 7.3737 118.0240 66.0080 31.2752 178.0606 37 L 4.1095 7.8149 116.6892 56.8983 41.5631 178.4613 38 A 4.4112 7.6419 119.0037 52.0316 18.8646 176.5315 39 D 4.6254 7.6742 118.7698 52.4135 41.0976 176.7192 40 D 4.5249 8.7330 127.4138 56.1714 39.4211 177.6775 41 Q 4.3376 8.3897 117.7859 57.3854 29.3670 176.5678 42 L 5.1005 8.3879 117.6972 55.4378 44.5580 178.7294 43 S 4.3305 8.4786 112.8632 61.3761 63.2210 176.4195 44 A 4.0654 8.0919 123.3130 54.6646 18.3465 179.2634 45 F 3.9356 8.0010 113.8876 59.9692 39.1163 176.1483 46 F 4.9188 8.4408 117.1613 56.2316 39.3435 177.6225 47 S 4.1155 8.0359 117.2731 61.2210 62.7073 175.5084 48 G 3.9787 8.0123 106.8433 45.2583 0.0000 172.9540 49 T 4.4502 7.8016 117.2996 61.9557 70.1921 174.1187 50 N 4.8536 8.3783 123.5258 52.7572 38.3464 175.3290 51 M 3.8813 8.3596 127.7078 57.9896 31.6594 178.3799 52 S 4.0469 8.0308 114.8640 61.6269 63.0982 176.6173 53 R 3.8904 7.8906 121.3724 59.1665 29.7867 178.0053 54 L 3.9583 7.7851 120.1909 58.2771 41.9608 179.0082 55 K 4.0767 8.0542 118.4609 59.4263 31.9842 179.2773 56 G 3.7971 7.7767 105.0948 48.1300 0.0000 175.8876 57 K 4.2435 8.3214 121.3703 59.0694 31.9824 179.6432 58 Q 4.1491 8.7108 118.8399 58.8157 28.7260 178.5202 59 V 3.7932 8.3444 119.6621 66.3968 31.5583 177.9495 60 E 4.1244 8.3802 118.0063 59.3765 29.2523 179.2153 61 F 3.6511 8.7682 120.9639 61.2788 39.4737 177.2823 62 F 4.2582 8.7320 117.6645 60.3325 38.6549 177.3566 63 A 4.1878 8.3722 120.2875 55.4259 17.6966 179.5606 64 A 3.7784 7.9879 118.7876 55.2587 18.2061 179.7572 65 A 3.8114 7.8227 118.4093 54.3212 18.6839 178.7987 66 L 4.5627 7.5557 115.5491 54.1986 41.9546 177.6368 67 G 4.0285 7.4828 106.3755 45.0981 0.0000 174.7473 68 G 2.5242 7.7037 109.1330 44.1533 0.0000 172.4810 69 P 4.3735 0.0000 0.0000 63.3408 32.1207 176.2321 70 E 4.4183 7.6091 118.8638 54.5812 30.6621 174.2877 71 P 4.4634 0.0000 0.0000 62.5498 32.0726 175.1735 72 Y 4.5273 8.5233 121.7148 57.5503 39.2698 175.6255 73 T 4.2899 8.7781 116.7515 61.2173 69.2855 174.6526 74 G 3.6429 5.6123 110.6132 43.7012 0.0000 173.2423 75 A 4.5254 8.1436 121.6331 50.1881 20.3775 176.2310 76 P 4.5702 0.0000 0.0000 62.6300 33.2579 177.5845 77 M 4.0425 8.8024 121.8595 58.6254 31.9031 179.1023 78 K 4.3167 7.9634 120.2035 59.0392 32.2781 178.3316 79 Q 3.9386 8.0111 117.9362 59.1882 29.1133 177.9182 80 V 3.6940 7.5537 117.7426 66.4117 31.9463 177.2507 81 H 4.4895 8.2541 114.8142 56.2321 28.9428 175.4407 82 Q 4.0814 7.6834 122.4654 57.6281 29.1690 176.8067 83 G 3.9842 8.9572 112.5331 45.7761 0.0000 173.8908 84 R 4.2385 7.9749 117.8038 55.7308 30.3745 176.9931 85 G 4.3094 8.0126 105.5439 46.5750 0.0000 173.7640 86 I 4.0699 7.2845 119.2623 60.4793 37.7859 176.3478 87 T 4.9423 8.5663 116.0820 60.2445 72.2378 175.0919 88 M 4.0438 8.4431 119.3331 58.7742 32.0412 177.2811 89 H 4.1186 8.2615 118.1273 59.6548 30.0656 176.7531 90 H 4.1548 7.8773 117.8003 58.7818 28.4718 177.4125 91 F 3.9591 8.5312 122.7465 61.5845 39.1035 177.3103 92 S 4.1934 8.6209 114.9208 61.6354 62.6129 176.7108 93 L 3.8689 7.8470 121.6431 57.7373 41.3571 179.7547 94 V 3.6024 7.8697 117.9310 65.9633 31.4081 177.9380 95 A 3.9478 8.0523 120.8781 54.9391 18.0729 179.7939 96 G 3.4963 8.2933 104.5487 48.3505 0.0000 175.6767 97 H 4.2589 8.2662 118.7707 58.3183 28.5890 177.6239 98 L 3.7324 8.2640 122.0125 58.0547 41.8286 178.8555 99 A 3.9077 8.0735 120.7072 55.3231 18.2170 179.3030 100 D 4.2850 8.3786 117.3116 57.4922 41.0130 178.9597 101 A 4.2267 8.2215 122.8494 54.5963 18.3641 179.7202 102 L 3.8796 8.1537 117.8389 58.1351 41.6805 179.8596 103 T 3.8098 8.3023 115.8836 66.6644 68.2055 176.6013 104 A 4.0080 8.1088 121.3488 54.7176 18.4555 178.6431 105 A 4.2912 7.6310 116.6013 52.3431 18.9067 178.2041 106 G 3.8019 7.8534 105.6282 45.2330 0.0000 173.9447 107 V 3.7129 7.4798 119.6218 61.3557 32.1834 174.9201 108 P 4.3399 0.0000 0.0000 62.7149 32.9530 177.4218 109 S 4.1164 8.7481 116.9102 61.9531 62.7259 176.6979 110 E 3.9303 8.1933 121.4105 59.6403 29.1506 179.3914 111 T 3.9819 7.8189 115.1321 66.3085 68.5009 176.8990 112 I 3.6486 7.6731 121.9886 64.6281 37.1528 178.4032 113 T 3.8454 8.0519 116.6917 66.7080 68.0379 176.0883 114 E 3.9447 8.2149 121.0149 59.4586 29.6010 179.0425 115 I 3.7665 7.9179 119.8856 64.3881 37.1692 178.4199 116 L 4.1807 8.4209 120.3540 57.7042 41.1500 179.8490 117 G 3.7524 7.9914 105.0925 47.4422 0.0000 175.7432 118 V 3.8135 7.2636 119.7483 65.9075 31.8379 177.8315 119 I 4.1361 7.9654 119.2818 63.9223 37.1469 178.0611 120 A 4.2701 8.5965 122.2280 54.8764 17.9590 177.8572 121 P 4.2851 0.0000 0.0000 65.0082 31.4032 178.3277 122 L 4.1145 8.2148 117.6830 56.6412 41.4074 178.7105 123 A 3.1722 7.5469 121.3575 54.8571 17.7259 179.9274 124 V 3.4431 7.0900 109.9641 64.4237 31.7163 177.8102 125 D 4.5487 8.1144 118.0602 55.9870 40.7175 178.8707 126 V 3.6531 7.4168 117.9756 64.4897 32.2448 176.4093 127 T 4.2717 7.3519 109.9500 61.7430 69.7937 175.3797 *128 S 4.2890 9.3278 119.7833 58.5456 63.0225 174.4746 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 2 G 8.21 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 0.00 0.00 0.00 3 L 8.50 3.79 0.00 1.89 1.71 1.01 0.28 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 4 L 8.04 3.97 0.00 1.74 1.71 0.93 0.82 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 5 S 8.04 4.09 0.00 3.89 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 6 R 8.11 3.96 0.00 2.08 1.99 0.00 3.36 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 7 L 8.27 4.04 0.00 1.81 1.72 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.05 4.05 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 9 K 7.33 4.41 0.00 1.86 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.69 7.81 10 R 7.73 3.87 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 11 E 7.94 4.45 0.00 2.09 1.87 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 2.30 2.39 0.00 12 P 0.00 4.41 0.00 2.18 2.06 0.00 3.77 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 1.99 1.99 0.00 13 I 8.14 3.84 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 1.48 0.54 0.93 0.00 0.00 14 S 8.53 4.48 0.00 4.26 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 I 8.23 3.69 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.93 0.00 0.00 16 Y 8.48 4.16 0.00 2.99 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 17 D 8.47 4.30 0.00 2.85 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 18 K 8.09 4.12 0.00 1.91 1.94 0.00 1.59 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.43 7.81 19 I 7.29 4.16 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.51 0.93 0.00 0.00 20 G 7.80 3.96 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 0.00 0.00 0.00 21 G 8.07 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 0.00 0.00 0.00 22 H 8.63 4.13 0.00 3.48 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.19 3.92 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 24 A 7.81 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.59 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 0.99 0.00 0.00 26 E 8.34 3.99 0.00 2.19 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 2.34 2.51 0.00 27 V 7.73 3.61 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 0.99 0.00 0.00 1.00 0.00 0.00 28 V 7.98 3.51 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 0.67 0.00 0.00 0.88 0.00 0.00 29 V 8.20 3.71 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 1.08 0.00 0.00 30 E 8.37 4.04 0.00 2.20 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 2.34 2.41 0.00 31 D 8.10 4.28 0.00 2.87 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 32 F 8.57 4.13 0.00 2.87 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 33 F 8.23 3.68 0.00 3.17 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 34 V 7.79 3.54 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 1.01 0.00 0.00 1.00 0.00 0.00 35 R 7.69 3.73 0.00 1.80 1.74 0.00 3.24 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 36 V 7.37 3.41 1.45 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 0.76 0.00 0.00 0.07 0.00 0.00 37 L 7.81 4.11 0.00 1.65 1.69 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.64 4.41 1.34 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 0.00 0.00 0.00 39 D 7.67 4.63 0.00 2.85 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 40 D 8.73 4.52 0.00 2.83 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 41 Q 8.39 4.34 0.00 2.33 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 42 L 8.39 5.10 0.00 2.04 1.93 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.48 4.33 0.00 4.08 4.41 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 44 A 8.09 4.07 1.19 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 0.00 0.00 0.00 45 F 8.00 3.94 0.00 2.71 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 46 F 8.44 4.92 0.00 3.36 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 47 S 8.04 4.12 0.00 4.02 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 48 G 8.01 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 0.00 0.00 0.00 49 T 7.80 4.45 4.58 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 1.32 0.00 0.00 50 N 8.38 4.85 0.00 2.75 2.72 0.00 0.00 7.14 7.65 0.00 0.00 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 M 8.36 3.88 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 52 S 8.03 4.05 0.00 3.95 3.89 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 53 R 7.89 3.89 0.00 1.82 2.05 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 54 L 7.79 3.96 0.00 1.79 1.58 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.05 4.08 0.00 1.80 1.92 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.13 1.26 7.81 56 G 7.78 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 57 K 8.32 4.24 0.00 2.07 2.15 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.67 7.81 58 Q 8.71 4.15 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.65 3.18 0.00 59 V 8.34 3.79 2.36 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 1.04 0.00 0.00 1.10 0.00 0.00 60 E 8.38 4.12 0.00 2.59 2.35 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 2.46 2.59 0.00 61 F 8.77 3.65 0.00 2.80 2.71 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 62 F 8.73 4.26 0.00 3.35 3.02 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 63 A 8.37 4.19 1.57 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 64 A 7.99 3.78 1.23 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 0.00 0.00 65 A 7.82 3.81 1.11 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 0.00 0.00 0.00 66 L 7.56 4.56 0.00 1.86 1.85 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.48 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 0.00 0.00 0.00 68 G 7.70 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 0.00 0.00 0.00 69 P 0.00 4.37 0.00 2.14 2.10 0.00 3.31 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 70 E 7.61 4.42 0.00 2.01 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 0.00 2.28 2.29 0.00 71 P 0.00 4.46 0.00 2.19 2.05 0.00 3.77 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 1.99 1.95 0.00 72 Y 8.52 4.53 0.00 2.98 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 73 T 8.78 4.29 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 1.25 0.00 0.00 74 G 5.61 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.53 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 76 P 0.00 4.57 0.00 2.23 2.06 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 77 M 8.80 4.04 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.51 0.00 78 K 7.96 4.32 0.00 1.84 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.37 7.81 79 Q 8.01 3.94 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 80 V 7.55 3.69 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 0.73 0.00 0.00 1.00 0.00 0.00 81 H 8.25 4.49 0.00 3.30 3.48 0.00 5.88 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 82 Q 7.68 4.08 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.60 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 83 G 8.96 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 0.00 0.00 0.00 84 R 7.97 4.24 0.00 2.07 2.09 0.00 3.23 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 85 G 8.01 4.31 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 0.00 86 I 7.28 4.07 2.03 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 0.76 0.86 0.83 0.00 0.00 87 T 8.57 4.94 4.29 0.00 0.00 0.00 0.00 0.00 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 88 M 8.44 4.04 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.66 0.00 89 H 8.26 4.12 0.00 3.27 3.23 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 H 7.88 4.15 0.00 3.28 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.53 3.96 0.00 3.15 3.22 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 92 S 8.62 4.19 0.00 4.06 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 93 L 7.85 3.87 0.00 1.84 1.68 0.99 0.80 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 94 V 7.87 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 1.12 0.00 0.00 0.93 0.00 0.00 95 A 8.05 3.95 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 96 G 8.29 3.50 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 0.00 97 H 8.27 4.26 0.00 3.36 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.26 3.73 0.00 1.23 1.63 -0.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.07 3.91 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 0.00 100 D 8.38 4.29 0.00 2.87 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 0.00 101 A 8.22 4.23 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 0.00 102 L 8.15 3.88 0.00 1.76 1.65 0.76 0.75 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 0.00 103 T 8.30 3.81 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 1.19 0.00 0.00 104 A 8.11 4.01 1.34 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 0.00 0.00 0.00 105 A 7.63 4.29 1.34 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 0.00 0.00 0.00 106 G 7.85 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 0.00 107 V 7.48 3.71 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 0.75 0.00 0.00 0.91 0.00 0.00 108 P 0.00 4.34 0.00 2.18 1.95 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 109 S 8.75 4.12 0.00 4.03 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 0.00 110 E 8.19 3.93 0.00 2.02 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 2.40 2.40 0.00 111 T 7.82 3.98 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 1.19 0.00 0.00 112 I 7.67 3.65 1.97 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 1.47 0.89 0.87 0.00 0.00 113 T 8.05 3.85 4.41 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 1.21 0.00 0.00 114 E 8.21 3.94 0.00 2.14 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 0.00 2.31 2.36 0.00 115 I 7.92 3.77 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.49 0.86 0.00 0.00 116 L 8.42 4.18 0.00 1.83 1.75 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.99 3.75 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 0.00 0.00 0.00 118 V 7.26 3.81 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 0.94 0.00 0.00 1.01 0.00 0.00 119 I 7.97 4.14 1.98 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.93 1.07 0.00 0.00 120 A 8.60 4.27 1.47 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 0.00 121 P 0.00 4.29 0.00 2.18 2.10 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 122 L 8.21 4.11 0.00 1.96 1.78 1.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.55 3.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.09 3.44 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 0.73 0.00 0.00 0.97 0.00 0.00 125 D 8.11 4.55 0.00 2.81 2.71 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 0.00 126 V 7.42 3.65 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 0.94 0.00 0.00 0.81 0.00 0.00 127 T 7.35 4.27 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 1.18 0.00 0.00 *128 S 9.33 4.29 0.00 3.54 3.84 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 * Residues marked with a * may have inaccurate shift predictions.