NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3944 8.2493 123.5833 52.4989 19.7942 176.4357 2 T 4.4092 8.2233 108.3787 59.9239 70.7629 172.7224 3 S 4.1117 7.9921 117.8217 59.2876 63.5005 175.5910 4 T 4.5231 8.4314 115.3056 62.1687 69.1812 175.2685 5 K 4.2643 8.0088 121.0698 56.7743 32.7020 175.7879 6 K 4.5976 7.0985 116.3143 53.8772 35.0163 175.3811 7 L 4.2367 8.0412 119.5456 54.9528 42.2661 176.2998 8 H 4.9382 8.2427 116.2676 53.9788 31.7989 173.7807 9 K 4.4118 8.5766 123.2566 55.6415 33.0957 176.1003 10 E 4.7939 8.3182 121.3910 53.5267 33.0297 174.1633 11 P 4.4517 0.0000 0.0000 62.9218 32.2017 175.3369 12 A 4.6741 8.0382 121.2654 51.1685 22.0920 174.9614 13 T 4.7389 7.9377 108.6317 59.4883 72.1817 173.4066 14 L 4.2647 8.1502 120.8947 54.0751 42.3581 177.3012 15 I 3.8139 8.0482 123.2270 60.5825 37.6952 176.0561 16 K 3.5742 8.6710 125.3424 56.5640 32.3535 176.1725 17 A 3.8835 7.7249 128.1712 52.0661 18.8280 177.2407 18 I 3.9643 7.8018 121.1811 60.9766 38.2954 176.2144 19 D 4.7645 8.4684 123.1564 53.8127 41.5438 177.9413 20 G 3.6987 8.7199 110.3465 48.4167 0.0000 174.2461 21 D 4.7258 8.1364 117.5421 53.4061 39.8943 175.0236 22 T 4.9855 7.6724 117.0470 62.2137 70.4004 174.1932 23 V 4.3840 9.0338 126.3329 61.1281 34.4527 174.0649 24 K 5.1620 8.7908 127.5962 55.1513 33.6827 175.8629 25 L 4.9232 9.0196 123.5707 53.2763 47.0911 174.8912 26 M 4.9080 8.6644 120.3461 54.9145 33.0376 174.7793 27 Y 4.8472 9.3851 127.5859 56.9191 41.8962 175.2372 28 K 3.8515 9.5936 127.5173 57.5781 29.5835 176.0161 29 G 3.9525 8.3455 103.2830 45.6892 0.0000 173.1622 30 Q 4.6192 7.6737 120.0515 52.8681 32.1511 172.4200 31 P 4.9369 0.0000 0.0000 63.3802 32.1959 175.2050 32 M 4.7926 9.4783 122.2996 54.3022 36.3951 173.4508 33 T 4.7292 8.3251 121.6117 62.4578 70.5121 173.5311 34 F 5.0375 9.4403 125.7905 55.7350 41.8833 174.6318 35 R 4.9846 8.8577 123.4050 54.2600 31.9791 175.2664 36 L 4.2918 8.5853 127.3987 54.7474 42.0950 177.3038 37 L 3.9049 8.4974 124.3376 55.7712 42.7927 178.0334 38 L 4.4961 8.9953 120.4834 55.7513 38.9817 173.8927 39 V 5.0536 7.3060 110.5699 59.9271 36.2392 175.2442 40 D 4.8838 8.9841 122.1067 53.3431 43.5445 174.7000 41 T 4.7481 9.2472 117.2084 60.2817 70.1577 173.0323 42 P 4.6005 0.0000 0.0000 62.5516 32.3124 176.0310 43 E 4.2045 8.5511 119.5060 56.4030 30.8496 177.1731 *50 F 4.3665 8.5378 121.7647 58.3876 40.9419 175.4318 51 N 4.6058 8.4735 114.8355 53.6075 38.7676 174.3085 52 E 4.5969 7.8675 118.8630 53.5328 32.3031 175.2020 53 K 3.8516 8.0889 121.2428 58.1236 32.6007 176.8482 54 Y 4.0450 7.5472 120.9533 59.2706 36.6880 171.4918 55 G 3.5888 7.9139 107.1638 47.5655 0.0000 174.1490 56 P 4.0450 0.0000 0.0000 64.7174 31.1406 178.6974 57 E 4.0095 8.0428 117.1635 59.2515 29.5114 178.9227 58 A 4.0865 8.4263 121.2589 55.3128 18.3853 179.8840 59 S 4.1805 8.3992 113.4883 61.8099 62.8671 176.8557 60 A 4.0727 8.4406 123.6165 54.7872 18.0911 179.5818 61 F 3.9185 8.6184 119.6149 61.3448 39.4842 177.2396 62 R 3.8806 8.2744 118.3560 59.3463 29.8108 177.9928 63 K 3.7915 8.1911 119.4560 59.5662 32.0784 178.3225 64 K 3.7939 8.1989 119.8429 59.6551 31.8602 178.2320 65 M 3.7835 7.4920 116.8770 58.6451 32.2332 178.1134 66 V 3.6888 7.8163 118.3070 66.0838 31.6075 177.6243 67 E 4.1212 8.2885 116.2834 58.1318 29.5515 177.8403 68 N 4.5923 7.6942 114.4255 52.7147 39.4610 175.2968 69 A 4.4298 6.9168 123.5137 51.3568 19.1860 177.9613 70 K 4.1143 9.0471 121.7827 58.5914 32.6330 177.6232 71 K 4.5840 9.0736 120.5726 54.6341 35.0786 175.0056 72 I 4.9625 8.5044 127.9223 59.8716 39.1756 174.8034 73 E 4.8748 9.1530 124.5860 54.5282 34.0832 174.6668 74 V 4.5181 8.2961 120.3935 61.0722 34.5467 174.5900 75 E 4.5875 8.9269 127.8680 54.5299 32.2741 174.6666 76 F 4.5025 8.8905 125.6893 57.5560 40.2396 175.3705 77 D 5.0453 8.4317 120.3553 53.1524 43.2791 175.8088 78 K 4.3342 8.7146 117.3150 57.9536 33.1393 178.5038 79 G 4.1847 8.0962 111.8118 44.5459 0.0000 173.6412 80 Q 4.0874 8.6521 121.7472 56.5935 29.2112 177.0469 81 R 4.3919 8.5683 119.9986 57.6807 30.9510 176.3853 82 T 5.0139 7.4479 106.4787 59.6508 71.8447 173.4248 83 D 4.6686 8.6076 124.4277 51.9489 40.9176 177.0693 84 K 3.9127 8.1833 117.3081 59.0564 32.4266 177.0155 85 Y 4.4094 7.7901 116.1929 57.5253 38.0748 175.7988 86 G 3.8761 8.0565 107.6886 46.2207 0.0000 173.6966 87 R 4.4929 8.4898 119.3046 54.3611 32.0787 176.3658 88 G 3.9114 8.5789 111.4697 46.4272 0.0000 172.4453 89 L 5.3043 8.9984 125.7996 53.4740 42.3829 175.7476 90 A 4.5503 8.3291 125.0800 50.3602 23.4084 174.0441 91 Y 4.9086 8.6201 117.1487 56.4247 39.9469 174.9933 92 I 4.8092 8.0722 123.4386 59.6474 40.6634 173.9249 93 Y 5.1327 9.2552 123.9472 56.0309 41.4202 174.5230 94 A 4.8813 9.2458 124.8599 50.6582 21.5877 176.5426 95 D 4.4369 9.8267 125.6824 55.6451 38.9055 175.9027 96 G 4.0767 8.1734 105.6831 45.4194 0.0000 172.8918 97 K 4.5399 7.8792 120.2485 54.7821 33.9357 175.1809 98 M 4.1035 8.4196 123.2642 54.7267 33.3812 177.1056 99 V 3.6299 8.7284 126.8587 66.0440 31.3280 177.8934 100 N 4.3194 7.9303 115.7863 56.3335 38.4923 176.8172 101 E 3.9640 8.0805 119.9163 59.1925 29.8328 178.4979 102 A 4.0621 8.1804 120.8270 55.1520 18.4340 179.4634 103 L 3.6795 8.2702 117.7795 58.0024 41.6358 180.0790 104 V 3.8604 7.5524 119.3293 65.4822 31.2801 178.0429 105 R 4.0084 8.2120 117.9022 59.1392 29.9737 177.4235 106 Q 4.1334 7.8586 116.9885 55.4796 29.4235 175.5784 107 G 3.8639 8.1554 107.6547 47.6184 0.0000 174.6585 108 L 4.5650 7.7965 117.7910 54.2093 42.3873 176.5520 109 A 4.7514 7.5333 119.9227 50.6295 22.8592 175.4675 110 K 4.7040 8.6210 119.7143 54.6284 34.7834 176.4415 111 V 4.3238 9.3754 123.6334 63.4952 32.3214 174.9662 112 A 4.0943 9.0624 127.3543 51.1239 23.2675 175.0235 113 Y 3.2346 7.2350 113.7792 58.9863 35.0608 173.0553 114 V 3.9295 6.9459 118.6477 61.7348 31.5779 173.9159 115 Y 5.0401 7.8375 124.3591 55.1973 40.8311 175.5682 116 K 4.0395 8.7594 123.1118 58.4624 32.4921 177.1435 117 G 4.1810 9.1753 113.9733 45.5445 0.0000 173.0625 118 N 5.3732 7.9709 117.0649 53.1440 39.4731 174.0826 119 N 5.2546 8.0250 110.9391 52.8316 38.5076 176.6935 120 T 3.8476 8.9011 118.4475 67.8809 68.8936 175.1613 121 H 4.8348 8.0007 116.5517 55.7911 29.1441 176.7942 122 E 3.9530 8.2392 121.8902 59.9476 29.2891 178.8525 123 Q 3.9863 8.0413 117.3092 58.7189 28.8491 178.3059 124 L 3.9230 7.9335 121.0163 58.2497 42.0849 178.9577 125 L 4.0717 7.9132 118.5827 57.7069 41.5628 179.5979 126 R 3.9137 8.3828 118.5294 58.9037 30.0044 178.9054 127 K 3.8315 8.3844 119.6194 59.4483 32.1023 178.6359 128 A 3.9640 7.9107 120.8854 55.1468 18.2307 179.2475 129 E 3.8670 8.3956 117.6313 59.3534 29.7443 178.8071 130 A 3.7484 8.0571 120.9539 55.0839 18.3741 179.4721 131 Q 3.7854 7.9753 117.6291 59.2183 29.2074 178.0754 132 A 3.9904 8.1247 122.0563 55.1106 18.3337 179.5945 133 K 3.4086 7.9562 118.3804 59.3081 31.9560 178.9054 134 K 3.7966 8.0832 119.1145 59.0216 32.0446 177.4769 135 E 4.4006 7.7786 116.0190 54.6394 30.0625 175.8635 136 K 4.0549 8.1043 118.2838 57.2043 30.6820 174.7927 137 L 4.3076 8.0838 117.8874 55.4859 44.2804 177.7388 138 N 3.5797 9.2588 120.7724 53.8847 37.6438 177.0920 139 I 2.9989 5.4200 122.3335 63.4926 37.8585 177.2455 140 W 4.7873 7.5667 119.9100 56.4574 29.2898 176.3828 141 S 4.7182 7.9410 119.1758 57.8775 62.6319 173.9590 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 A 8.25 4.39 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 2 T 8.22 4.41 4.25 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 1.22 0.00 0.00 3 S 7.99 4.11 0.00 3.87 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 4 T 8.43 4.52 4.27 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 1.23 0.00 0.00 5 K 8.01 4.26 0.00 1.77 1.88 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.40 7.81 6 K 7.10 4.60 0.00 1.72 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.34 7.81 7 L 8.04 4.24 0.00 1.59 1.57 0.91 0.93 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 8 H 8.24 4.94 0.00 3.10 3.15 0.00 5.69 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 9 K 8.58 4.41 0.00 1.75 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 10 E 8.32 4.79 0.00 1.90 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 2.20 2.26 0.00 11 P 0.00 4.45 0.00 2.17 2.05 0.00 3.74 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 12 A 8.04 4.67 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 13 T 7.94 4.74 4.23 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 1.21 0.00 0.00 14 L 8.15 4.26 0.00 1.63 1.59 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.05 3.81 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.86 0.00 0.00 16 K 8.67 3.57 0.00 1.67 1.68 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.46 7.81 17 A 7.72 3.88 0.38 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 18 I 7.80 3.96 1.85 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 1.36 0.82 0.91 0.00 0.00 19 D 8.47 4.76 0.00 2.74 2.64 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 20 G 8.72 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.14 4.73 0.00 2.94 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 22 T 7.67 4.99 4.25 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 1.22 0.00 0.00 23 V 9.03 4.38 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 0.89 0.00 0.00 0.94 0.00 0.00 24 K 8.79 5.16 0.00 1.71 1.77 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.48 7.81 25 L 9.02 4.92 0.00 1.77 1.60 0.66 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.66 4.91 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 27 Y 9.39 4.85 0.00 3.11 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 28 K 9.59 3.85 0.00 1.49 1.60 0.00 1.67 0.00 0.00 1.48 0.00 0.00 2.46 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.93 0.21 7.81 29 G 8.35 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 30 Q 7.67 4.62 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 31 P 0.00 4.94 0.00 2.14 2.08 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 32 M 9.48 4.79 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.77 0.00 33 T 8.33 4.73 4.17 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 F 9.44 5.04 0.00 3.04 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 35 R 8.86 4.98 0.00 1.88 1.78 0.00 3.37 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 36 L 8.59 4.29 0.00 1.59 1.76 0.94 0.81 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 37 L 8.50 3.90 0.00 0.87 1.26 0.14 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 L 9.00 4.50 0.00 2.04 1.92 1.15 1.17 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 39 V 7.31 5.05 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 0.70 0.00 0.00 1.03 0.00 0.00 40 D 8.98 4.88 0.00 2.88 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.25 4.75 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 1.28 0.00 0.00 42 P 0.00 4.60 0.00 2.02 2.02 0.00 3.67 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 2.14 2.06 0.00 43 E 8.55 4.20 0.00 2.10 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 2.37 2.31 0.00 *50 F 8.54 4.37 0.00 3.20 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 51 N 8.47 4.61 0.00 3.01 2.85 0.00 0.00 6.90 7.82 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 52 E 7.87 4.60 0.00 2.03 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 2.20 2.33 0.00 53 K 8.09 3.85 0.00 1.51 1.51 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.52 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.97 7.81 54 Y 7.55 4.05 0.00 3.18 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 55 G 7.91 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 1.94 1.74 0.00 3.28 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.89 0.00 57 E 8.04 4.01 0.00 2.30 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 0.00 2.48 2.47 0.00 58 A 8.43 4.09 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 59 S 8.40 4.18 0.00 4.30 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 60 A 8.44 4.07 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 61 F 8.62 3.92 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 62 R 8.27 3.88 0.00 2.00 1.99 0.00 3.35 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 63 K 8.19 3.79 0.00 1.98 1.99 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.63 7.81 64 K 8.20 3.79 0.00 1.86 1.74 0.00 1.65 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81 65 M 7.49 3.78 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 66 V 7.82 3.69 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 0.96 0.00 0.00 0.92 0.00 0.00 67 E 8.29 4.12 0.00 2.05 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 0.00 2.34 2.33 0.00 68 N 7.69 4.59 0.00 2.72 2.82 0.00 0.00 6.93 8.55 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 69 A 6.92 4.43 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 70 K 9.05 4.11 0.00 1.93 1.88 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 71 K 9.07 4.58 0.00 1.73 1.61 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.39 7.81 72 I 8.50 4.96 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 1.33 0.73 0.91 0.00 0.00 73 E 9.15 4.87 0.00 1.90 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 2.21 2.23 0.00 74 V 8.30 4.52 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 0.08 0.00 0.00 0.07 0.00 0.00 75 E 8.93 4.59 0.00 2.19 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 0.00 2.49 2.42 0.00 76 F 8.89 4.50 0.00 3.10 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 77 D 8.43 5.05 0.00 2.71 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 78 K 8.71 4.33 0.00 2.02 1.90 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.58 7.81 79 G 8.10 4.18 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 0.00 80 Q 8.65 4.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 81 R 8.57 4.39 0.00 1.73 1.67 0.00 2.49 0.00 0.00 2.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 82 T 7.45 5.01 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 1.17 0.00 0.00 83 D 8.61 4.67 0.00 2.90 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 84 K 8.18 3.91 0.00 1.50 1.73 0.00 1.18 0.00 0.00 1.47 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.02 0.29 7.81 85 Y 7.79 4.41 0.00 3.11 2.99 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 86 G 8.06 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.49 4.49 0.00 1.91 1.82 0.00 3.13 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 88 G 8.58 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.00 5.30 0.00 1.64 1.67 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.33 4.55 0.69 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 0.00 0.00 91 Y 8.62 4.91 0.00 3.05 2.62 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 92 I 8.07 4.81 1.73 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.87 0.77 0.00 0.00 93 Y 9.26 5.13 0.00 2.85 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 94 A 9.25 4.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 9.83 4.44 0.00 2.79 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 96 G 8.17 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 K 7.88 4.54 0.00 1.96 1.76 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.52 7.81 98 M 8.42 4.10 0.00 1.89 1.60 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.27 0.00 99 V 8.73 3.63 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 1.09 0.00 0.00 0.91 0.00 0.00 100 N 7.93 4.32 0.00 2.86 2.92 0.00 0.00 6.77 7.66 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 0.00 101 E 8.08 3.96 0.00 1.98 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 0.00 2.37 2.36 0.00 102 A 8.18 4.06 1.65 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 0.00 103 L 8.27 3.68 0.00 1.87 1.72 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.55 3.86 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 1.43 0.00 0.00 1.04 0.00 0.00 105 R 8.21 4.01 0.00 1.84 2.12 0.00 3.34 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 106 Q 7.86 4.13 0.00 1.65 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.34 0.00 0.00 0.00 0.00 0.00 1.68 2.15 0.00 107 G 8.16 3.86 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 0.00 0.00 0.00 108 L 7.80 4.57 0.00 1.43 1.61 0.67 0.58 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 0.00 109 A 7.53 4.75 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 0.00 110 K 8.62 4.70 0.00 1.70 1.78 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.50 1.06 7.81 111 V 9.38 4.32 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 0.71 0.00 0.00 0.97 0.00 0.00 112 A 9.06 4.09 0.90 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 0.00 0.00 113 Y 7.23 3.23 0.00 3.13 3.03 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 0.00 114 V 6.95 3.93 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 0.85 0.00 0.00 0.85 0.00 0.00 115 Y 7.84 5.04 0.00 3.11 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 0.00 116 K 8.76 4.04 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 117 G 9.18 4.18 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 0.00 118 N 7.97 5.37 0.00 2.83 2.87 0.00 0.00 6.73 8.16 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 0.00 119 N 8.03 5.25 0.00 2.86 3.01 0.00 0.00 6.11 7.22 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 0.00 120 T 8.90 3.85 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 1.05 0.00 0.00 121 H 8.00 4.83 0.00 2.87 3.07 0.00 5.63 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 0.00 122 E 8.24 3.95 0.00 2.20 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 0.00 2.32 2.38 0.00 123 Q 8.04 3.99 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 L 7.93 3.92 0.00 1.74 1.82 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.91 4.07 0.00 2.09 1.73 0.97 0.90 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 0.00 126 R 8.38 3.91 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 127 K 8.38 3.83 0.00 1.86 1.97 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 128 A 7.91 3.96 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 0.00 129 E 8.40 3.87 0.00 2.10 2.05 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 2.08 2.58 0.00 130 A 8.06 3.75 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 0.00 131 Q 7.98 3.79 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 132 A 8.12 3.99 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.96 3.41 0.00 0.79 1.44 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 0.72 7.81 134 K 8.08 3.80 0.00 1.72 1.93 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 7.78 4.40 0.00 2.05 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 2.27 2.38 0.00 136 K 8.10 4.05 0.00 1.90 1.87 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.54 7.81 137 L 8.08 4.31 0.00 1.78 1.70 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.26 3.58 0.00 2.65 1.51 0.00 0.00 6.90 7.22 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 0.00 139 I 5.42 3.00 1.21 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 -0.36 0.56 0.00 0.00 140 W 7.57 4.79 0.00 3.37 3.14 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 0.00 141 S 7.94 4.72 0.00 3.99 3.97 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.