NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2838 8.4345 117.0992 59.3762 63.4600 173.9126 3 N 3.7178 8.4549 120.2593 53.3420 37.2023 168.9401 4 V 4.3564 8.2201 118.4826 62.4803 29.7351 167.4324 5 V 4.1314 6.4851 115.7581 59.9732 34.8976 174.4387 6 Q 4.8681 9.2232 124.0452 54.6399 31.2192 171.2224 7 A 3.6665 8.8839 131.6092 53.3052 15.4149 175.7650 8 R 4.7692 7.6578 120.7926 54.6250 34.2011 176.7539 9 D 4.9969 8.2849 115.6909 52.8270 43.5040 174.4963 10 N 4.5899 8.7440 119.7840 53.7410 37.6712 175.1449 11 S 4.6806 8.0158 111.6531 60.7001 64.9228 171.5631 12 Q 4.6202 7.6497 121.0168 53.8281 31.6851 177.2439 13 V 3.5019 8.1396 121.0461 62.2366 32.3122 177.5092 *14 F 4.5694 8.5719 114.7038 57.5702 43.5658 176.3654 15 G 4.2124 9.0962 110.9486 47.6923 0.0000 173.7464 16 V 4.8125 7.8956 115.4964 60.0681 35.6447 170.4911 17 A 4.8877 10.4140 129.4177 50.0208 22.2350 175.8700 18 R 4.8579 8.6745 124.7243 57.1731 31.9405 173.6352 19 I 3.9916 8.5746 126.6518 60.8591 35.2721 177.1528 *20 Y 3.8142 11.0472 120.5124 57.9555 36.9593 170.4124 21 A 4.4689 8.2765 127.6508 51.2022 20.2273 176.7234 22 S 4.1560 8.7054 121.0896 59.9416 62.7308 173.8752 *23 F 4.2384 8.8582 122.4854 58.1076 38.0619 174.8188 24 N 5.2168 8.4078 119.6179 51.8998 39.1234 178.3680 25 D 4.4720 7.1444 126.4577 54.6181 45.2002 180.5379 26 T 4.8474 7.7213 127.6606 63.2968 70.7278 170.3717 *27 F 4.9194 9.0913 132.2819 56.6024 40.0915 173.8247 28 V 4.2329 8.1663 114.5250 63.7198 34.5217 171.5302 *29 H 5.0466 8.4912 125.7536 54.1469 32.9453 171.6852 30 V 4.0379 8.2289 122.8746 62.2750 33.5706 175.8676 31 T 3.7870 8.9716 124.6727 61.3223 67.4527 175.7172 32 D 4.3791 8.3154 122.3335 54.9210 45.7710 178.5107 33 L 4.2658 8.6265 119.3171 56.4415 42.9462 173.7680 34 S 3.7629 8.8491 110.6107 60.9188 60.2214 168.8209 35 G 3.9474 7.7844 121.9408 43.4426 0.0000 178.3828 36 K 4.2073 9.4342 121.9897 54.6352 30.5719 176.3937 37 E 5.0676 8.0325 114.0293 58.0382 33.0784 178.3091 38 T 4.4324 8.0690 112.4884 60.5474 70.6380 175.1078 39 I 4.1099 7.6384 121.8317 58.4704 34.7195 175.3188 40 A 4.8679 7.9826 135.0000 51.2694 20.2579 177.3046 41 R 5.1477 7.4282 122.7802 57.0829 32.4764 172.2820 42 V 4.5207 8.9431 122.7083 63.7485 34.3996 172.3024 43 T 4.0321 7.5897 105.2619 58.9307 72.8642 178.0252 44 G 4.1391 8.2474 105.7392 50.5571 0.0000 173.4683 45 G 3.9912 7.8414 117.7392 45.6522 0.0000 172.2345 46 M 4.7742 7.4678 124.5240 54.6718 40.3359 176.7454 47 K 4.7675 7.4580 123.9417 53.8793 37.3814 181.1757 48 V 3.0975 8.3887 115.6345 64.2649 30.4894 173.2223 49 K 4.4671 8.5070 108.7626 58.8034 33.2689 175.3131 50 A 4.1555 6.8177 130.4376 54.7082 16.2476 177.1847 51 D 4.7626 7.8117 124.8422 56.0109 42.6580 180.7092 52 R 4.2160 8.2162 119.6170 59.1515 30.6059 179.4794 53 D 4.8106 8.3218 114.4502 54.3421 41.1658 178.3822 54 E 4.3218 9.3516 120.0529 58.1378 30.0253 181.1296 55 S 4.2801 8.2114 116.6681 62.6849 62.8229 180.6976 56 S 4.4783 7.9549 120.2113 57.6925 62.7287 175.9979 57 P 4.6096 0.0000 0.0000 65.4160 30.1708 176.6662 *58 Y 3.8622 7.4499 120.1088 62.7888 36.8931 182.8021 59 A 4.6763 7.9009 119.0142 52.8535 19.9983 178.5513 60 A 4.0839 8.9562 122.9860 55.3665 18.1214 180.2330 61 M 4.1964 8.0432 120.7764 60.0549 31.7901 183.8440 62 L 4.4082 7.3578 119.3498 56.4751 40.6423 179.1455 63 A 4.4135 7.3420 121.9084 53.1014 18.9411 178.3104 64 A 3.7496 8.8108 124.9981 54.5587 17.7408 180.0348 65 Q 3.8063 9.1382 111.6927 60.3217 28.3655 180.5109 66 D 4.9285 8.2991 120.9800 53.2875 42.0625 179.5429 67 V 4.2706 7.3248 129.0300 61.2120 39.1109 178.3084 68 A 4.1242 9.2046 129.0659 55.5431 18.4063 179.9255 69 A 4.2501 9.4182 119.5886 53.8983 18.4027 178.5798 70 K 4.4212 8.1014 120.1731 55.4180 30.6066 184.2953 71 C 4.2164 8.5321 121.4312 62.3607 27.9229 181.1749 72 K 4.3851 8.1802 122.4782 56.8115 31.3355 179.5394 73 E 3.9739 7.7626 115.9526 59.3568 29.6695 182.7976 74 V 4.5021 6.5426 115.8450 61.6621 32.8767 178.8336 75 G 4.1866 8.3275 114.1827 47.2349 0.0000 176.4545 76 I 3.6929 7.9544 119.4034 61.4909 36.0863 179.3562 77 T 4.2677 8.6203 115.0818 60.9588 71.4943 171.2402 78 A 4.7225 8.0560 129.2368 52.0007 21.8651 175.9584 79 V 5.3563 7.7976 129.9084 60.4685 29.6775 175.6897 *80 H 4.6964 8.4388 118.5873 56.9836 31.0595 173.0628 81 V 4.6521 7.7281 125.1980 59.8505 34.4726 173.6883 82 K 5.0208 8.1051 123.5150 56.6193 34.3706 175.3136 83 I 4.2287 8.1711 128.7989 60.9198 36.5570 177.0642 84 R 4.5683 8.7552 122.1147 54.7193 32.2951 172.9528 85 A 4.2241 8.2034 121.3673 54.5308 18.9771 176.0166 86 T 5.0280 8.1166 117.9976 59.9785 70.9407 169.4798 87 G 3.4914 8.6324 108.3694 45.3646 0.0000 170.0522 88 G 3.8386 9.3404 116.8755 45.4317 0.0000 174.2513 89 T 4.4891 8.1564 118.9353 60.4963 71.4973 172.0521 90 R 3.5534 8.4012 132.3216 56.6343 27.7613 174.7662 91 T 4.1366 8.0606 107.9329 62.5657 71.5395 171.8414 92 K 4.4767 8.7248 129.8273 54.1355 33.2553 175.2848 93 T 4.5680 7.8768 109.3840 61.9319 72.0008 169.0723 94 P 4.6790 0.0000 0.0000 59.9611 30.3118 171.3914 95 G 4.5772 8.0728 106.6750 45.5726 0.0000 172.7478 *96 P 4.7487 0.0000 0.0000 60.4008 31.6651 178.1203 97 G 3.4977 9.7986 106.5461 46.3308 0.0000 176.4760 98 G 3.8697 9.9769 117.3865 46.9386 0.0000 176.6022 99 Q 3.9632 9.3870 119.7305 57.9948 29.4258 181.1698 100 A 4.0087 8.2485 121.0776 54.8496 19.5451 179.1161 101 A 4.0424 8.3770 118.8430 55.1731 17.7670 179.9013 102 L 4.1642 6.0004 123.9193 59.2361 42.0461 181.8318 103 R 4.2740 8.0317 121.2459 61.6743 29.2441 179.6338 104 A 4.1009 8.2010 122.7707 56.5787 17.9953 179.9874 105 L 3.9017 7.8556 120.5709 59.0962 41.1993 181.4958 106 A 4.4427 7.8346 121.0344 55.7230 18.9514 179.8681 107 R 4.3818 8.2018 122.2312 59.9985 29.3972 178.9133 108 S 4.7180 7.5175 116.1431 58.6933 66.7454 178.7885 109 G 3.8869 8.9398 107.7747 47.8021 0.0000 174.2706 110 L 4.9518 7.3443 129.4647 56.9058 45.9689 173.2437 111 R 4.4638 8.3640 113.6928 57.8478 32.7314 171.7818 112 I 3.8997 8.5971 119.8005 59.5539 36.2000 175.2174 113 G 3.8228 8.9157 108.9215 46.3953 0.0000 174.5646 114 R 3.8403 9.1208 127.9125 57.6218 26.5912 175.0972 115 I 4.0975 7.8323 119.4234 60.8377 33.7314 176.4423 116 E 4.6406 8.3601 126.3494 54.4823 32.7019 174.2642 117 D 5.0458 8.9787 129.3985 54.4559 38.4924 173.8320 118 V 3.9274 9.4451 126.8542 63.1993 32.5424 175.5211 119 T 4.0036 7.3025 111.8060 62.1463 68.2642 177.0617 120 P 4.8569 0.0000 0.0000 60.2971 32.2287 172.3869 121 V 4.6296 8.0899 121.2718 58.7095 35.6980 169.8072 122 P 5.1482 0.0000 0.0000 61.7973 34.7759 177.1359 123 S 4.3081 8.5480 116.2676 60.5388 59.7032 169.8753 124 D 4.4134 8.5086 127.2123 53.7704 39.0525 173.5086 125 S 4.6881 8.0020 126.8752 57.5679 63.0728 173.6307 126 T 4.3941 8.7349 115.5873 61.7903 68.9088 174.3583 127 R 4.3693 8.4677 127.5316 54.8675 31.0020 173.0898 128 K 4.0986 8.7211 125.8739 55.6315 31.3001 177.3570 129 K 4.2130 8.4358 122.4116 55.4584 32.3911 178.0589 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 S 8.43 4.28 0.00 3.65 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 3 N 8.45 3.72 0.00 2.91 2.70 0.00 0.00 6.90 6.79 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 4 V 8.22 4.36 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 0.79 0.00 0.00 0.93 0.00 0.00 5 V 6.49 4.13 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 0.78 0.00 0.00 0.93 0.00 0.00 6 Q 9.22 4.87 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 7 A 8.88 3.67 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 8 R 7.66 4.77 0.00 1.79 1.68 0.00 3.21 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 9 D 8.28 5.00 0.00 2.63 2.40 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 10 N 8.74 4.59 0.00 2.73 2.68 0.00 0.00 6.45 7.64 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 11 S 8.02 4.68 0.00 3.60 3.67 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 12 Q 7.65 4.62 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.18 1.92 0.00 13 V 8.14 3.50 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 0.67 0.00 0.00 0.93 0.00 0.00 *14 F 8.57 4.57 0.00 2.20 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 0.00 0.00 0.00 15 G 9.10 4.21 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 0.00 16 V 7.90 4.81 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 0.69 0.00 0.00 0.93 0.00 0.00 17 A 10.41 4.89 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 R 8.67 4.86 0.00 1.54 1.80 0.00 3.26 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.44 0.00 19 I 8.57 3.99 1.87 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 1.09 1.13 0.91 0.00 0.00 *20 Y 11.05 3.81 0.00 2.40 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.28 4.47 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 22 S 8.71 4.16 0.00 3.66 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 *23 F 8.86 4.24 0.00 2.29 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 0.00 0.00 0.00 0.00 24 N 8.41 5.22 0.00 2.62 2.60 0.00 0.00 6.66 8.36 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 25 D 7.14 4.47 0.00 2.64 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 0.00 0.00 0.00 0.00 26 T 7.72 4.85 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 *27 F 9.09 4.92 0.00 1.92 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 0.00 0.00 0.00 0.00 28 V 8.17 4.23 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 0.57 0.00 0.00 0.93 0.00 0.00 *29 H 8.49 5.05 0.00 2.65 2.89 0.00 7.12 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 30 V 8.23 4.04 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 0.84 0.00 0.00 0.93 0.00 0.00 31 T 8.97 3.79 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 32 D 8.32 4.38 0.00 2.66 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 33 L 8.63 4.27 0.00 1.65 1.51 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.85 3.76 0.00 3.70 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 35 G 7.78 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 36 K 9.43 4.21 0.00 1.97 1.81 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.22 0.98 7.81 37 E 8.03 5.07 0.00 1.96 1.71 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 1.97 1.66 0.00 38 T 8.07 4.43 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 39 I 7.64 4.11 1.87 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 1.35 1.10 0.91 0.00 0.00 40 A 7.98 4.87 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.43 5.15 0.00 1.82 1.69 0.00 3.25 0.00 0.00 3.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.00 42 V 8.94 4.52 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 0.78 0.00 0.00 0.93 0.00 0.00 43 T 7.59 4.03 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 44 G 8.25 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 0.00 0.00 0.00 0.00 45 G 7.84 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 46 M 7.47 4.77 0.00 2.00 1.76 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.10 0.00 47 K 7.46 4.77 0.00 1.71 1.59 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 0.96 7.81 48 V 8.39 3.10 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 0.83 0.00 0.00 0.93 0.00 0.00 49 K 8.51 4.47 0.00 1.62 1.67 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.34 1.00 7.81 50 A 6.82 4.16 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 51 D 7.81 4.76 0.00 2.70 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 52 R 8.22 4.22 0.00 1.82 1.90 0.00 3.18 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 53 D 8.32 4.81 0.00 2.62 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 0.00 0.00 0.00 0.00 54 E 9.35 4.32 0.00 1.98 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 2.20 1.87 0.00 55 S 8.21 4.28 0.00 3.65 3.90 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 0.00 0.00 0.00 0.00 56 S 7.95 4.48 0.00 3.65 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 57 P 0.00 4.61 0.00 2.07 2.07 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 *58 Y 7.45 3.86 0.00 2.42 2.28 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 59 A 7.90 4.68 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 60 A 8.96 4.08 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 61 M 8.04 4.20 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.17 0.00 62 L 7.36 4.41 0.00 1.69 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.34 4.41 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 64 A 8.81 3.75 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 65 Q 9.14 3.81 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.60 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 66 D 8.30 4.93 0.00 2.69 2.56 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 67 V 7.32 4.27 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 0.61 0.00 0.00 0.93 0.00 0.00 68 A 9.20 4.12 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 69 A 9.42 4.25 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 70 K 8.10 4.42 0.00 1.73 1.79 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.25 7.81 71 C 8.53 4.22 0.00 2.75 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 K 8.18 4.39 0.00 1.76 1.78 0.00 1.68 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 0.99 7.81 73 E 7.76 3.97 0.00 1.91 1.80 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 2.25 2.14 0.00 74 V 6.54 4.50 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 0.86 0.00 0.00 0.93 0.00 0.00 75 G 8.33 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 0.00 0.00 0.00 0.00 76 I 7.95 3.69 1.87 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 1.27 0.70 0.91 0.00 0.00 77 T 8.62 4.27 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 78 A 8.06 4.72 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 79 V 7.80 5.36 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 0.63 0.00 0.00 0.93 0.00 0.00 *80 H 8.44 4.70 0.00 2.56 2.91 0.00 7.14 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 81 V 7.73 4.65 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 0.56 0.00 0.00 0.93 0.00 0.00 82 K 8.11 5.02 0.00 1.40 1.68 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.34 0.83 7.81 83 I 8.17 4.23 1.87 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 1.20 0.54 0.91 0.00 0.00 84 R 8.76 4.57 0.00 1.68 1.89 0.00 3.25 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 85 A 8.20 4.22 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 86 T 8.12 5.03 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 87 G 8.63 3.49 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 0.00 0.00 0.00 88 G 9.34 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 89 T 8.16 4.49 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 90 R 8.40 3.55 0.00 1.97 1.55 0.00 3.29 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 91 T 8.06 4.14 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 92 K 8.72 4.48 0.00 1.77 1.66 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.00 7.81 93 T 7.88 4.57 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 94 P 0.00 4.68 0.00 2.21 1.91 0.00 3.55 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.52 0.00 95 G 8.07 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 0.00 0.00 0.00 0.00 *96 P 0.00 4.75 0.00 2.10 0.98 0.00 3.83 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 1.94 1.59 0.00 97 G 9.80 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 98 G 9.98 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 0.00 0.00 0.00 99 Q 9.39 3.96 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.84 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 100 A 8.25 4.01 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 0.00 101 A 8.38 4.04 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 0.00 102 L 6.00 4.16 0.00 1.76 1.62 0.92 0.80 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 0.00 103 R 8.03 4.27 0.00 1.84 1.97 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 104 A 8.20 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.86 3.90 0.00 1.80 1.63 0.92 0.88 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 0.00 106 A 7.83 4.44 1.39 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 0.00 0.00 0.00 107 R 8.20 4.38 0.00 1.92 1.81 0.00 3.31 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 108 S 7.52 4.72 0.00 3.56 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 0.00 109 G 8.94 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 0.00 0.00 0.00 110 L 7.34 4.95 0.00 1.62 1.35 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.36 4.46 0.00 1.76 1.65 0.00 3.24 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.00 112 I 8.60 3.90 1.87 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 1.35 1.10 0.91 0.00 0.00 113 G 8.92 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 0.00 114 R 9.12 3.84 0.00 1.99 1.86 0.00 3.28 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 115 I 7.83 4.10 1.87 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 1.27 1.51 0.91 0.00 0.00 116 E 8.36 4.64 0.00 1.61 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 2.20 1.84 0.00 117 D 8.98 5.05 0.00 2.46 2.55 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 0.00 0.00 0.00 0.00 118 V 9.45 3.93 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 0.80 0.00 0.00 0.93 0.00 0.00 119 T 7.30 4.00 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 0.00 120 P 0.00 4.86 0.00 2.07 1.85 0.00 3.68 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 1.87 1.56 0.00 121 V 8.09 4.63 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 0.87 0.00 0.00 0.93 0.00 0.00 122 P 0.00 5.15 0.00 2.01 1.78 0.00 3.71 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 1.83 1.56 0.00 123 S 8.55 4.31 0.00 3.62 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 0.00 124 D 8.51 4.41 0.00 2.82 2.57 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 0.00 125 S 8.00 4.69 0.00 3.55 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 0.00 126 T 8.73 4.39 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 0.00 127 R 8.47 4.37 0.00 1.82 1.74 0.00 3.24 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.00 128 K 8.72 4.10 0.00 1.77 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 129 K 8.44 4.21 0.00 1.72 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.27 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.