NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4842 8.1749 117.3741 63.7330 70.0668 173.1013 2 T 4.5442 8.9412 121.1709 60.1763 72.1477 171.3868 3 I 5.1340 9.2821 121.0797 59.2099 41.1154 174.7810 4 V 4.6464 8.9514 116.8609 59.7937 36.5330 174.5211 5 G 4.4673 8.5615 108.3141 44.6623 0.0000 172.2121 6 V 4.5821 9.1201 124.3572 61.0741 34.8137 174.3268 7 K 4.8943 8.8437 127.5475 55.4523 33.6487 175.8731 8 F 5.0885 8.3366 118.2368 54.1616 40.9660 175.4099 9 N 4.3412 9.0883 117.7768 55.9718 36.6056 175.0713 10 N 4.9056 7.7245 116.6153 51.6836 40.0571 174.3185 11 G 3.4558 6.0270 104.2397 45.5745 0.0000 172.4107 12 V 4.9753 7.6617 118.5401 60.3854 34.5186 174.4518 13 V 4.7726 9.2205 122.0999 59.9546 34.7797 174.3298 14 I 5.1944 8.3852 115.0686 59.3250 40.4951 174.0921 15 A 4.9087 8.7662 124.6495 50.8514 23.0855 174.3972 16 A 5.6664 8.4867 119.0159 51.6920 22.5193 175.7502 17 D 4.7936 8.5004 119.7471 52.7571 41.7662 176.2609 18 T 4.8253 8.2295 105.3401 60.4685 70.3747 173.1295 19 R 4.6292 8.0745 123.1129 56.0862 31.1723 175.4478 20 S 4.9384 9.0872 121.2064 56.6450 65.0672 172.6950 21 T 5.1231 8.5679 116.0631 60.0997 72.1345 173.7119 22 Q 4.3808 9.2430 123.3545 53.6450 30.5562 177.1852 23 G 3.8393 8.7764 117.8132 46.3324 0.0000 171.0351 24 P 4.6916 0.0000 0.0000 62.0281 31.7816 174.5666 25 I 4.2125 7.5540 121.2494 59.9127 38.4285 175.2159 26 V 4.2978 8.2198 124.8060 61.9605 30.9659 175.6937 27 A 4.0430 8.6229 131.1764 54.5436 18.7092 176.7176 28 D 4.8772 7.8139 115.9483 52.3822 42.6997 176.7356 29 K 4.1788 8.6587 125.6960 58.2968 33.1064 176.9464 30 N 5.2295 8.3526 117.7403 52.5000 37.8255 173.0496 31 C 4.5998 8.9064 117.5801 57.6514 32.8247 174.1105 32 A 4.9244 8.4101 121.2552 50.6345 19.8031 176.9485 33 K 4.2339 8.7989 121.2567 57.1395 33.7935 176.5244 34 L 4.6454 7.8791 120.7563 54.2142 41.8937 175.7710 35 H 4.9199 9.2300 122.0275 54.1629 31.7350 173.9543 36 R 3.6572 7.8955 120.1656 54.6572 31.0631 175.8627 37 I 4.0439 8.3818 126.8746 62.7913 38.4826 175.5928 38 S 4.5301 7.3842 112.2472 56.4497 65.4166 173.4890 39 P 4.3015 0.0000 0.0000 65.5217 31.1341 178.1191 40 K 4.7621 7.8116 115.5660 55.9980 32.6150 175.6064 41 I 4.8078 8.0884 120.4512 59.8154 40.3360 174.7826 42 W 5.0588 9.3069 127.3375 55.2528 32.1955 174.9732 43 C 5.4857 9.5928 120.5791 57.9564 35.2407 172.5335 44 A 5.5094 8.2788 124.1304 49.3740 22.2554 175.3745 45 G 4.6471 8.7481 107.2184 44.6337 0.0000 170.8343 46 A 4.7482 9.2579 121.2758 50.7639 23.3910 176.0364 47 G 3.9278 8.7425 103.9083 44.6249 0.0000 173.1744 48 T 3.8297 8.0938 116.8213 63.8337 69.1863 174.3135 49 A 3.9933 8.7596 128.3550 55.4459 18.3894 178.6778 50 A 3.9393 8.1116 118.4147 55.5617 18.1297 179.5494 51 D 4.2322 7.8996 116.9193 57.7938 41.1151 178.9592 52 T 3.9938 7.9839 110.2646 64.4969 68.5348 176.3261 53 E 3.6762 8.3400 122.0654 59.0005 29.7662 178.5622 54 A 3.9382 8.1777 121.3756 55.2051 18.4665 180.0556 55 V 3.5360 7.9744 117.8497 65.1665 31.5441 178.7299 56 T 3.8434 7.7273 115.9560 66.3944 68.1900 176.4669 57 Q 4.0179 7.8261 119.8615 58.1178 28.9004 178.0805 58 L 3.8473 7.8410 121.4429 58.3962 42.2288 179.2315 59 I 3.7947 7.7428 119.8452 64.0819 37.0461 178.6258 60 G 3.6187 7.8647 106.5806 48.2393 0.0000 175.6881 61 S 4.0682 8.4331 116.0583 61.2354 62.3750 176.0458 62 N 4.3855 8.2519 119.1825 56.2715 38.1611 177.5245 63 I 3.7025 8.3186 121.7480 64.1104 37.0577 178.0371 64 E 3.9016 8.0859 119.9662 59.4429 29.5007 178.8131 65 L 3.9957 7.9513 118.9535 58.0962 41.5778 179.1469 66 H 4.1179 8.6242 118.5049 59.1987 29.8163 177.1834 67 S 4.3028 8.3964 116.6861 60.8966 62.0058 176.1627 68 L 3.9917 7.9772 120.5078 57.9727 41.4403 178.6040 69 Y 4.0450 8.1546 118.7887 60.4094 38.9167 177.2845 70 T 4.3380 8.2709 107.7757 60.7884 69.7723 174.4480 71 S 3.8061 7.9416 116.8300 59.8055 61.4126 172.2688 72 R 4.7497 7.5087 115.7131 53.9541 34.0722 175.1097 73 E 4.2264 8.6334 119.9755 55.6937 30.1187 175.5638 74 P 4.4233 0.0000 0.0000 62.8407 32.4167 175.9923 75 R 4.8345 8.1792 120.0992 54.2454 32.8127 177.4603 76 V 3.6117 9.1900 121.7707 66.3823 31.4531 179.0754 77 V 3.6759 7.8338 111.4633 64.3399 31.2051 178.7113 78 S 4.0394 7.9211 114.6111 61.5001 62.7203 176.3484 79 A 3.9427 7.9521 122.9962 55.0174 18.1163 179.3097 80 L 3.8795 8.0279 118.8112 58.3276 42.2043 179.0623 81 Q 3.9453 8.2772 119.6909 59.4499 28.7123 178.0002 82 M 4.0693 8.2979 120.0243 58.2181 31.8721 178.7561 83 L 4.0359 8.0661 119.3442 57.6659 41.8827 179.6329 84 K 3.9869 8.0742 118.6788 60.3611 32.5970 179.1608 85 Q 4.2701 8.1749 119.1829 58.3800 28.2810 178.3774 86 H 4.2958 7.7137 118.6632 59.3621 30.4463 176.9230 87 L 4.1447 8.2746 121.1233 57.8052 41.4195 179.3673 88 F 4.0648 8.8167 121.0837 61.1075 39.1174 177.0541 89 K 3.9174 8.0394 118.0640 58.9215 32.0246 177.0840 90 Y 4.2593 7.6202 115.6405 57.8077 38.6883 175.9373 91 Q 2.8644 7.6783 117.3010 56.9509 26.6700 176.1943 *93 G 3.9833 7.6913 105.5559 45.3538 0.0000 174.5003 94 H 4.0856 8.8698 117.8614 57.3992 28.7835 175.6075 95 I 4.3433 6.3850 120.0405 58.5828 37.0626 177.3619 96 G 4.0755 8.4992 119.5951 45.8232 0.0000 171.0946 97 A 5.0435 7.4613 120.0717 50.4348 21.2435 177.6347 98 Y 4.6589 8.6278 120.0605 56.2218 41.3711 174.8724 99 L 5.3783 8.6775 122.6420 53.1466 46.7939 175.7987 100 I 4.6204 8.6947 121.7102 59.6452 39.8446 174.9048 101 V 4.9597 8.5586 126.7639 59.8776 33.3446 174.9869 102 A 4.8110 9.3574 125.3704 49.8338 23.0690 175.1736 103 G 4.2935 7.6922 108.3373 45.9437 0.0000 172.4320 104 V 4.5661 8.0015 112.4643 59.6641 34.7768 176.1332 105 D 4.2408 8.3957 120.6781 54.0457 38.7579 175.1608 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 1 T 8.17 4.48 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 1.23 0.00 0.00 2 T 8.94 4.54 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 1.21 0.00 0.00 3 I 9.28 5.13 1.90 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 1.37 0.69 0.93 0.00 0.00 4 V 8.95 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 0.76 0.00 0.00 0.99 0.00 0.00 5 G 8.56 4.47 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 6 V 9.12 4.58 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 1.10 0.00 0.00 0.96 0.00 0.00 7 K 8.84 4.89 0.00 1.67 1.65 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.36 7.81 8 F 8.34 5.09 0.00 3.17 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 9 N 9.09 4.34 0.00 2.89 3.13 0.00 0.00 5.68 8.04 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 10 N 7.72 4.91 0.00 2.70 2.94 0.00 0.00 6.83 7.98 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 11 G 6.03 3.46 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 0.00 12 V 7.66 4.98 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 0.69 0.00 0.00 1.00 0.00 0.00 13 V 9.22 4.77 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 1.09 0.00 0.00 0.94 0.00 0.00 14 I 8.39 5.19 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.96 0.00 0.00 15 A 8.77 4.91 1.21 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 0.00 0.00 0.00 16 A 8.49 5.67 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 17 D 8.50 4.79 0.00 2.70 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 18 T 8.23 4.83 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 1.22 0.00 0.00 19 R 8.07 4.63 0.00 1.81 2.03 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 20 S 9.09 4.94 0.00 3.91 3.87 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 21 T 8.57 5.12 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 1.21 0.00 0.00 22 Q 9.24 4.38 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.67 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.78 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 0.00 0.00 0.00 24 P 0.00 4.69 0.00 2.18 2.15 0.00 3.84 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 1.91 1.96 0.00 25 I 7.55 4.21 1.97 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 1.18 0.83 0.91 0.00 0.00 26 V 8.22 4.30 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.62 4.04 1.30 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 28 D 7.81 4.88 0.00 2.69 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 29 K 8.66 4.18 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.42 7.81 30 N 8.35 5.23 0.00 2.69 2.68 0.00 0.00 7.15 7.25 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 31 C 8.91 4.60 0.00 3.05 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 32 A 8.41 4.92 1.30 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 33 K 8.80 4.23 0.00 1.73 1.84 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 34 L 7.88 4.65 0.00 1.63 1.95 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.23 4.92 0.00 2.96 3.08 0.00 5.58 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.90 3.66 0.00 0.67 1.19 0.00 3.07 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 0.00 37 I 8.38 4.04 1.95 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 1.29 0.97 0.86 0.00 0.00 38 S 7.38 4.53 0.00 3.94 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 39 P 0.00 4.30 0.00 2.12 2.27 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 40 K 7.81 4.76 0.00 1.69 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 41 I 8.09 4.81 1.87 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 1.28 0.81 0.99 0.00 0.00 42 W 9.31 5.06 0.00 3.29 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 43 C 9.59 5.49 0.00 2.91 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 44 A 8.28 5.51 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 45 G 8.75 4.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.26 4.75 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 G 8.74 3.93 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 0.00 0.00 0.00 48 T 8.09 3.83 4.38 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 1.26 0.00 0.00 49 A 8.76 3.99 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 50 A 8.11 3.94 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 51 D 7.90 4.23 0.00 2.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.99 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 1.39 0.00 0.00 53 E 8.34 3.68 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 2.25 2.30 0.00 54 A 8.18 3.94 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 55 V 7.97 3.54 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 0.81 0.00 0.00 0.88 0.00 0.00 56 T 7.73 3.84 4.39 0.00 0.00 0.00 0.00 0.00 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 57 Q 7.83 4.02 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 58 L 7.84 3.85 0.00 1.75 1.68 0.87 0.65 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 59 I 7.74 3.79 1.93 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.20 0.87 0.00 0.00 60 G 7.86 3.62 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 0.00 0.00 0.00 61 S 8.43 4.07 0.00 3.87 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 62 N 8.25 4.39 0.00 2.86 2.82 0.00 0.00 7.08 6.66 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 63 I 8.32 3.70 2.08 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.91 0.00 0.00 64 E 8.09 3.90 0.00 2.05 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 2.35 0.00 65 L 7.95 4.00 0.00 1.91 1.74 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.62 4.12 0.00 3.25 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.40 4.30 0.00 4.00 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 0.00 68 L 7.98 3.99 0.00 1.82 1.75 0.93 1.17 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 69 Y 8.15 4.04 0.00 3.08 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 70 T 8.27 4.34 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 1.17 0.00 0.00 71 S 7.94 3.81 0.00 4.02 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 72 R 7.51 4.75 0.00 1.82 1.77 0.00 3.15 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 73 E 8.63 4.23 0.00 1.97 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 2.33 2.30 0.00 74 P 0.00 4.42 0.00 2.05 2.00 0.00 3.66 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 2.04 2.13 0.00 75 R 8.18 4.83 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 76 V 9.19 3.61 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 1.04 0.00 0.00 1.04 0.00 0.00 77 V 7.83 3.68 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 0.76 0.00 0.00 0.93 0.00 0.00 78 S 7.92 4.04 0.00 4.07 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 79 A 7.95 3.94 1.30 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 80 L 8.03 3.88 0.00 1.89 1.84 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.28 3.95 0.00 2.34 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 82 M 8.30 4.07 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 83 L 8.07 4.04 0.00 1.90 1.71 0.94 0.91 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 84 K 8.07 3.99 0.00 2.01 2.08 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.52 7.81 85 Q 8.17 4.27 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.71 0.00 86 H 7.71 4.30 0.00 3.27 3.60 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 87 L 8.27 4.14 0.00 1.76 1.69 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.82 4.06 0.00 3.21 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 89 K 8.04 3.92 0.00 2.04 2.11 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.04 1.35 7.81 90 Y 7.62 4.26 0.00 3.07 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 91 Q 7.68 2.86 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 *93 G 7.69 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 94 H 8.87 4.09 0.00 3.28 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.39 4.34 1.75 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 0.80 0.00 0.00 96 G 8.50 4.08 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 0.00 0.00 0.00 97 A 7.46 5.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.63 4.66 0.00 2.99 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 99 L 8.68 5.38 0.00 1.50 1.64 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.69 4.62 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.12 0.95 0.00 0.00 101 V 8.56 4.96 2.11 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 0.74 0.00 0.00 0.96 0.00 0.00 102 A 9.36 4.81 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 0.00 103 G 7.69 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 0.00 0.00 0.00 0.00 104 V 8.00 4.57 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 0.73 0.00 0.00 0.96 0.00 0.00 105 D 8.40 4.24 0.00 2.79 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 * Residues marked with a * may have inaccurate shift predictions.