NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8080 8.1400 114.8034 57.7663 64.7092 174.1572 2 L 4.0156 8.8148 123.6208 58.1935 41.8046 177.9792 3 L 4.0809 8.7800 119.8085 57.8524 41.9469 178.7855 4 E 4.0541 8.1032 118.4895 59.2536 29.2985 178.9983 5 F 4.6475 8.8006 121.2006 61.5216 39.4780 177.4030 6 G 3.5457 8.4257 105.3322 47.6636 0.0000 175.6095 7 K 4.0280 8.2762 122.0564 59.4001 32.2588 178.6057 8 M 4.2946 8.5140 118.8644 58.6972 32.0589 178.2512 9 I 3.6047 7.9839 120.3234 64.2308 37.1938 178.1381 10 L 4.4110 7.8333 122.3641 57.7425 41.7117 178.6769 11 E 3.9819 8.2157 117.5750 59.5356 29.4986 178.8211 12 E 4.1182 8.1979 118.2404 58.8635 29.9037 177.9314 13 T 4.4445 8.1416 107.4788 60.7653 70.3599 175.7503 14 G 3.7909 8.3171 109.6948 45.7599 0.0000 173.1041 *16 K 4.3219 7.4313 117.8186 55.8290 33.4910 175.1164 17 L 4.3180 8.1731 122.1482 54.3873 42.5844 177.8152 18 A 4.0099 8.9375 126.6914 54.8586 18.4800 177.1349 19 I 4.6504 7.6676 116.4224 59.4227 38.1205 173.7426 20 P 4.9399 0.0000 0.0000 61.8764 31.9329 176.6560 21 S 4.2869 8.0064 115.6865 60.8751 62.7318 174.5778 22 Y 4.7497 8.2821 114.8352 57.4199 39.1351 176.1960 23 S 4.7056 8.1621 115.8532 59.6120 63.9327 175.5343 24 S 4.7239 7.8514 115.8190 58.0617 63.6321 172.2193 25 Y 4.5772 8.0976 122.8391 58.3190 39.9252 175.4855 26 G 3.4894 8.2495 116.8272 46.6844 0.0000 173.0859 27 C 4.5359 9.1793 115.9398 58.0629 39.4365 173.7843 28 Y 4.4248 8.7239 115.5181 57.6161 39.4841 174.5477 29 C 4.8878 8.4803 118.7990 57.4039 40.9656 174.6357 30 G 4.1351 10.6758 112.9763 46.8331 0.0000 173.4189 31 W 5.0372 8.0718 124.0192 56.1288 35.3283 175.5532 32 G 4.0013 8.2020 107.4015 44.7860 0.0000 170.1008 33 G 3.8451 7.6902 112.4778 44.1961 0.0000 174.5145 34 K 4.6567 7.7503 119.8841 54.5915 37.2812 176.0661 35 G 4.4952 9.4457 107.0570 45.2955 0.0000 173.2988 36 T 4.2185 8.0319 115.7595 61.6856 69.0288 173.5625 37 P 4.6345 0.0000 0.0000 63.0840 31.8700 176.8457 38 K 3.7915 9.1141 122.0184 58.9728 32.2745 176.3053 39 D 4.4060 7.2264 115.6930 51.5216 41.8709 175.7101 40 A 4.0067 8.5510 119.8534 55.8011 18.0950 179.7833 41 T 4.0215 8.0737 113.7812 67.0492 68.5279 176.1376 42 D 4.6186 9.0299 120.2083 57.5249 41.1462 178.5117 43 R 3.9676 8.2688 118.7506 59.1873 29.9295 178.2179 44 C 4.1970 8.3589 116.5526 60.4038 38.5410 175.6317 45 C 4.3541 8.2432 117.8106 59.7350 40.8954 175.7560 46 F 3.6605 8.6012 122.7596 61.3542 38.8447 177.4429 47 V 3.4217 8.0766 117.8661 66.0948 31.2241 177.4004 48 H 3.8523 8.2871 118.1404 59.1719 29.5533 176.9866 49 D 4.1231 8.2460 121.0390 57.5270 40.6483 178.0408 50 C 4.0255 7.8147 117.0123 60.0189 39.8954 175.4422 51 C 4.1278 7.9307 119.3007 59.9842 44.7443 174.9612 52 Y 4.3457 8.0551 118.5940 61.0446 37.1678 178.8177 53 G 3.6290 8.1394 106.0590 47.5708 0.0000 174.9993 54 N 4.5492 7.9480 117.1473 54.3942 39.7878 175.0057 55 L 4.8334 7.4850 119.6366 52.7079 42.1588 175.0815 56 P 4.1824 0.0000 0.0000 65.6960 32.3687 178.4814 *59 D 4.9844 7.8859 117.1887 54.3411 42.4657 175.3232 *61 C 5.2927 7.6457 116.1735 57.3415 42.5987 173.0159 *67 N 5.1543 7.9375 115.8449 52.8583 38.2957 173.7001 68 P 4.0019 0.0000 0.0000 64.8958 32.2064 179.3104 69 K 4.1110 8.0409 117.9557 58.3884 32.2264 178.5332 70 S 4.5838 7.7632 110.8884 58.4711 65.0282 173.9116 71 D 4.4445 8.1386 121.4235 53.8285 41.3866 175.4593 72 R 4.4709 8.4167 125.8184 55.1462 31.3848 175.0478 73 Y 4.9625 7.8331 119.1297 55.0127 41.1848 174.6145 74 K 4.9910 8.5733 118.7022 54.9923 35.3015 175.0107 75 Y 5.4974 8.2967 120.2804 55.6978 41.5004 173.3400 76 K 4.6966 9.2635 119.0894 55.3649 36.9724 174.5665 77 R 5.1193 8.5429 118.4545 54.4431 32.4982 176.3641 78 V 4.1489 8.8883 124.4484 61.5547 32.6483 174.7845 79 N 3.9717 8.7194 128.7867 53.6786 36.7100 176.4687 80 G 3.8236 8.9813 110.8347 49.2533 0.0000 172.9319 81 A 4.3093 7.9738 122.6824 51.6578 19.7604 176.8399 82 I 4.5119 8.3296 122.9505 60.9845 38.3752 175.6057 83 V 4.3505 9.0020 127.2596 60.9871 33.9473 173.9422 84 C 4.8165 8.8614 126.4597 57.1829 40.4912 173.7038 85 E 4.5617 8.9730 123.9519 55.0712 30.9153 176.2366 86 K 4.4772 7.9127 122.5943 55.6266 33.6846 175.4191 *88 G 4.2451 8.2705 114.6827 45.2686 0.0000 173.0958 89 T 4.2045 8.8043 115.4563 61.0244 70.9544 175.7702 90 S 4.0797 8.5004 116.5756 61.9026 62.8338 177.1781 91 C 4.2294 8.1443 119.6681 59.7691 40.3240 175.8109 92 E 3.9872 8.1803 120.0341 59.4802 28.6730 179.1379 93 N 4.2673 8.3496 116.5852 56.4844 38.6111 177.7598 94 R 3.9471 8.0031 119.3535 59.1006 30.1398 179.1129 95 I 3.6094 8.0058 120.0691 64.4711 37.0818 177.5463 96 C 2.9443 7.9399 119.3639 59.4145 40.1510 175.5433 97 E 3.7825 7.9929 120.0103 59.3830 28.9644 178.7476 98 C 4.1725 8.0502 116.6576 60.0761 40.3180 175.9424 99 D 3.8280 7.9892 120.4420 56.9112 40.3667 178.5200 100 K 3.6974 8.1866 120.3632 59.5067 32.0631 178.4975 101 A 3.8580 7.7908 120.5374 55.1676 18.2459 179.4775 102 A 3.4797 7.7507 118.9378 54.9703 18.3821 179.7361 103 A 3.8562 8.1612 119.5172 55.2861 18.3886 179.8672 104 I 3.6130 7.7604 118.3686 64.6544 36.9551 177.8014 105 C 4.1966 8.0480 118.3222 59.6967 37.9138 175.2650 106 F 4.6027 8.1447 119.7568 60.6679 38.0654 177.5856 107 R 3.9376 8.1493 118.3008 59.5812 29.7123 178.3802 108 Q 4.1321 8.4176 118.1308 58.0483 29.2155 176.2604 109 N 5.0786 7.6970 115.5026 52.8920 39.5429 176.2042 110 L 4.1744 7.8435 121.8312 57.8000 41.8089 179.3228 111 N 4.4577 8.3458 115.0930 55.1127 37.1918 175.4464 112 T 4.5590 7.7701 106.5888 60.8801 69.2341 173.5569 113 Y 4.1151 7.8187 124.3518 58.4584 39.4238 175.0143 114 S 4.9162 8.8415 120.7891 56.0655 65.0949 174.8522 115 K 4.0728 8.8717 127.4729 59.1454 32.0400 179.0549 116 K 3.8720 7.7178 116.7753 59.2497 32.5321 177.0436 117 Y 4.4065 7.2625 116.3113 58.2410 38.1833 175.3648 118 M 4.4050 7.5735 120.7354 56.3480 32.4682 175.9120 119 L 3.6788 8.4514 121.2512 55.5833 40.0217 174.4680 120 Y 4.1496 7.6245 119.4975 56.9120 39.3478 173.9621 121 P 4.3704 0.0000 0.0000 62.2631 32.4934 176.5365 122 D 4.2388 8.9284 121.5311 57.3249 41.1610 178.0279 *124 F 4.7649 7.8338 111.1353 56.4929 39.5534 175.2596 125 L 3.8070 6.7469 119.5651 54.9487 41.2453 176.1253 126 C 4.8877 8.1587 117.7716 54.9887 41.7024 173.2345 127 K 4.6936 8.3959 123.3954 55.3558 35.5360 176.7969 128 G 4.2424 8.8761 108.6191 46.0001 0.0000 172.1042 129 E 4.5787 8.4335 122.9630 54.8376 30.6135 175.2015 130 L 4.6924 8.4684 127.3554 52.8653 43.9564 176.0376 131 K 4.1437 8.4346 125.7637 56.6348 32.9231 177.9520 *133 C 4.9099 8.5330 117.9327 57.5168 41.5360 173.8315 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 S 8.14 4.81 0.00 4.13 4.12 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 2 L 8.81 4.02 0.00 2.05 1.83 1.14 0.61 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 3 L 8.78 4.08 0.00 1.76 1.74 0.95 1.01 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 4 E 8.10 4.05 0.00 1.95 1.90 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 2.25 2.23 0.00 5 F 8.80 4.65 0.00 3.41 3.39 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 6 G 8.43 3.55 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 0.00 0.00 0.00 7 K 8.28 4.03 0.00 1.91 2.09 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.51 7.81 8 M 8.51 4.29 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 9 I 7.98 3.60 1.80 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.04 0.58 0.00 0.00 10 L 7.83 4.41 0.00 1.77 1.83 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.22 3.98 0.00 2.22 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 0.00 2.41 2.58 0.00 12 E 8.20 4.12 0.00 2.13 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 2.47 2.37 0.00 13 T 8.14 4.44 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 1.22 0.00 0.00 14 G 8.32 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 0.00 0.00 0.00 *16 K 7.43 4.32 0.00 1.89 1.62 0.00 1.33 0.00 0.00 0.92 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.25 7.81 17 L 8.17 4.32 0.00 1.72 1.73 0.92 0.84 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 18 A 8.94 4.01 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 19 I 7.67 4.65 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.94 0.00 0.00 20 P 0.00 4.94 0.00 2.19 2.16 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 8.01 4.29 0.00 3.84 3.27 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 22 Y 8.28 4.75 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.71 0.00 4.10 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 0.00 24 S 7.85 4.72 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 25 Y 8.10 4.58 0.00 2.88 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 26 G 8.25 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 27 C 9.18 4.54 0.00 3.02 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 Y 8.72 4.42 0.00 3.55 3.29 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 29 C 8.48 4.89 0.00 3.57 3.53 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 30 G 10.68 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 31 W 8.07 5.04 0.00 3.20 3.27 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 32 G 8.20 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 0.00 0.00 0.00 33 G 7.69 3.85 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 0.00 0.00 0.00 34 K 7.75 4.66 0.00 1.72 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 35 G 9.45 4.50 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 36 T 8.03 4.22 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 1.15 0.00 0.00 37 P 0.00 4.63 0.00 1.94 2.04 0.00 3.45 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 1.53 1.75 0.00 38 K 9.11 3.79 0.00 0.79 0.74 0.00 1.62 0.00 0.00 1.36 0.00 0.00 2.72 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.93 0.21 7.81 39 D 7.23 4.41 0.00 2.83 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 A 8.55 4.01 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.07 4.02 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 0.97 0.00 0.00 42 D 9.03 4.62 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 43 R 8.27 3.97 0.00 2.08 1.96 0.00 3.11 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.00 44 C 8.36 4.20 0.00 3.27 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 45 C 8.24 4.35 0.00 3.40 3.55 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 46 F 8.60 3.66 0.00 2.54 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 47 V 8.08 3.42 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 0.95 0.00 0.00 1.05 0.00 0.00 48 H 8.29 3.85 0.00 3.10 3.28 0.00 5.64 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 49 D 8.25 4.12 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.03 0.00 2.89 2.95 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 51 C 7.93 4.13 0.00 2.95 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 52 Y 8.06 4.35 0.00 3.02 2.80 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 53 G 8.14 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.55 0.00 2.87 2.85 0.00 0.00 6.79 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 55 L 7.48 4.83 0.00 1.59 1.51 0.85 0.84 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 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 *59 D 7.89 4.98 0.00 2.76 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 *61 C 7.65 5.29 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 5.15 0.00 2.73 2.77 0.00 0.00 7.62 8.03 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 68 P 0.00 4.00 0.00 0.88 0.55 0.00 3.33 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 69 K 8.04 4.11 0.00 1.82 1.90 0.00 1.63 0.00 0.00 1.93 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.44 7.81 70 S 7.76 4.58 0.00 3.93 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 71 D 8.14 4.44 0.00 2.71 2.65 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 72 R 8.42 4.47 0.00 1.80 1.88 0.00 3.17 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 73 Y 7.83 4.96 0.00 3.08 2.97 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 74 K 8.57 4.99 0.00 1.75 1.90 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.30 5.50 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 76 K 9.26 4.70 0.00 1.79 1.92 0.00 1.28 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 77 R 8.54 5.12 0.00 1.71 2.13 0.00 3.40 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 78 V 8.89 4.15 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 1.01 0.00 0.00 0.95 0.00 0.00 79 N 8.72 3.97 0.00 2.91 2.66 0.00 0.00 7.10 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 80 G 8.98 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 81 A 7.97 4.31 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 82 I 8.33 4.51 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 0.81 0.00 0.00 83 V 9.00 4.35 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 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.86 4.82 0.00 2.97 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 85 E 8.97 4.56 0.00 2.05 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 2.35 2.32 0.00 86 K 7.91 4.48 0.00 1.80 1.69 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.27 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 0.00 0.00 0.00 0.00 89 T 8.80 4.20 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 1.27 0.00 0.00 90 S 8.50 4.08 0.00 4.05 4.16 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 0.00 0.00 0.00 91 C 8.14 4.23 0.00 2.97 3.15 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 92 E 8.18 3.99 0.00 2.30 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 0.00 2.55 2.54 0.00 93 N 8.35 4.27 0.00 2.84 2.83 0.00 0.00 7.06 7.51 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 94 R 8.00 3.95 0.00 1.94 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 95 I 8.01 3.61 1.99 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 1.17 0.65 0.97 0.00 0.00 96 C 7.94 2.94 0.00 2.20 2.89 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 97 E 7.99 3.78 0.00 2.07 1.89 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 2.44 2.42 0.00 98 C 8.05 4.17 0.00 3.18 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 99 D 7.99 3.83 0.00 2.71 2.77 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 0.00 100 K 8.19 3.70 0.00 1.64 1.88 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.79 3.86 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 0.00 102 A 7.75 3.48 1.03 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 0.00 103 A 8.16 3.86 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 0.00 104 I 7.76 3.61 1.94 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 1.38 0.76 0.88 0.00 0.00 105 C 8.05 4.20 0.00 2.92 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 0.00 106 F 8.14 4.60 0.00 3.01 2.67 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 0.00 107 R 8.15 3.94 0.00 1.96 2.13 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.42 4.13 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.70 5.08 0.00 2.98 2.86 0.00 0.00 6.83 7.69 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 0.00 110 L 7.84 4.17 0.00 1.88 1.76 0.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.35 4.46 0.00 2.87 3.00 0.00 0.00 5.82 7.71 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 0.00 112 T 7.77 4.56 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 1.27 0.00 0.00 113 Y 7.82 4.12 0.00 3.00 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 0.00 114 S 8.84 4.92 0.00 3.79 3.40 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 0.00 115 K 8.87 4.07 0.00 1.86 1.87 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.72 1.60 7.81 116 K 7.72 3.87 0.00 1.60 1.71 0.00 1.15 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.72 0.21 7.81 117 Y 7.26 4.41 0.00 1.62 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 0.00 0.00 0.00 118 M 7.57 4.40 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 119 L 8.45 3.68 0.00 1.81 1.74 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 0.00 120 Y 7.62 4.15 0.00 3.03 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 0.00 121 P 0.00 4.37 0.00 2.42 2.17 0.00 2.66 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.80 0.00 122 D 8.93 4.24 0.00 2.74 2.81 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 *124 F 7.83 4.76 0.00 3.25 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 0.00 125 L 6.75 3.81 0.00 1.11 1.51 0.36 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.16 4.89 0.00 3.03 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 0.00 127 K 8.40 4.69 0.00 1.78 1.67 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 128 G 8.88 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 0.00 0.00 0.00 0.00 129 E 8.43 4.58 0.00 1.98 1.90 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 2.31 2.42 0.00 130 L 8.47 4.69 0.00 1.63 1.59 0.31 0.38 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 0.00 131 K 8.43 4.14 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.53 4.91 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.