NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7880 8.3393 109.7376 45.5978 0.0000 176.2629 *2 T 4.0050 8.8523 106.9311 61.1099 70.2545 173.5986 3 A 4.4235 8.1954 124.3642 51.4205 19.7605 177.0183 4 V 4.8306 8.3519 118.6502 61.1177 34.8412 174.3557 5 F 5.1527 9.1488 128.7864 56.6080 41.3420 174.3018 6 R 5.7410 7.9809 125.2152 53.8799 33.4966 173.4256 7 N 4.8606 8.2136 120.7983 52.6393 40.5991 172.5019 8 T 5.0881 8.3127 108.3220 60.0587 72.2010 173.8365 9 V 4.4378 8.3482 121.1557 60.1234 35.0030 173.6089 10 L 4.6387 8.4982 126.9177 54.3967 43.1195 176.0634 11 V 3.9087 9.1027 127.4026 62.9690 32.5071 175.5823 12 R 4.9641 8.7600 126.3461 53.8896 33.0355 176.7787 13 F 4.0266 8.8024 121.1095 61.2621 39.3906 177.3232 14 K 4.0956 8.0164 118.2194 59.4686 32.7542 177.3726 15 H 4.5874 8.2247 116.4669 56.7825 29.1935 174.5085 16 C 5.1827 7.2892 116.7209 57.5853 30.4705 174.5538 17 D 4.4661 8.4076 123.2526 52.7231 41.1434 175.5016 18 A 3.8930 8.6417 120.2799 55.4931 17.8566 178.1106 19 A 4.1289 7.4684 116.9708 49.3957 20.0012 177.4938 20 G 3.8850 7.9289 99.1867 45.0250 0.0000 172.3175 21 I 4.8334 7.3757 119.5845 58.8877 40.4250 175.0690 22 V 4.0249 8.3264 126.1195 62.8529 32.0961 175.2452 23 F 4.7379 8.9658 131.2419 57.6553 40.0572 175.8110 24 Y 4.1727 8.6179 125.1372 59.9867 37.6390 176.9166 25 P 4.4280 0.0000 0.0000 65.2489 31.4378 178.7009 26 R 4.0340 7.9366 117.3467 59.1886 29.6763 178.3730 27 Y 4.4561 7.4755 115.6278 61.3325 38.0039 178.5413 28 F 4.6770 7.9903 118.0619 60.1421 38.9949 178.0502 29 E 4.3780 7.8709 115.4006 56.5879 29.0627 178.7096 *31 L 4.6132 7.8613 122.0100 55.3885 44.0543 178.1642 32 N 4.4612 8.7134 116.7701 56.9824 38.7277 176.2857 33 D 4.5776 8.4347 120.2353 57.4931 40.8257 178.7720 34 F 4.5561 8.2700 120.4946 61.5172 39.4843 177.0075 35 I 3.8398 8.2275 119.6432 64.4118 36.9552 177.8686 36 E 2.7030 8.3725 120.3508 59.0365 29.3477 178.6344 37 D 4.3834 8.2646 118.8574 57.1326 40.9064 178.4779 38 W 2.7226 8.1151 128.9477 60.1320 30.4824 177.9391 39 F 3.4237 8.4788 117.5653 60.3064 38.1439 177.6264 40 A 4.0093 7.8576 119.2054 55.0911 18.3075 179.4530 41 Q 4.1184 8.3309 115.4065 58.7599 29.2044 177.3208 42 A 4.3518 7.6304 120.7593 53.4083 19.4792 177.9005 43 L 4.0728 7.2159 112.3953 53.6417 42.5386 175.5896 44 D 4.4294 7.9866 116.7663 54.6690 39.7407 174.0285 45 W 5.5526 8.2584 124.7853 54.7989 31.3078 172.1318 46 P 4.5759 0.0000 0.0000 62.1132 31.9235 178.4720 47 F 4.1091 8.8304 118.8176 60.6898 39.5055 176.7750 48 D 4.4609 8.3799 119.7586 56.4830 39.4886 178.8258 49 A 4.3557 7.7020 121.3544 52.6057 17.5491 178.6178 *51 H 4.8509 7.6656 116.4500 56.7993 32.5894 174.4009 52 G 3.6926 8.1708 107.9201 45.8303 0.0000 175.6113 53 A 4.0132 9.6530 124.0084 55.2752 18.7808 180.7337 54 G 3.7747 8.2506 103.4347 46.8934 0.0000 173.4389 55 Q 3.2219 8.0424 118.7888 56.8484 26.6288 172.7830 56 A 5.1727 7.3978 117.7254 50.7477 23.0010 175.2238 57 G 3.7617 8.3672 105.1047 44.5938 0.0000 173.0779 58 V 5.2442 7.4507 110.8107 58.1172 30.8605 174.3996 59 P 4.3948 0.0000 0.0000 63.0752 33.1162 177.6927 60 T 4.4432 8.3828 118.4213 63.5736 69.2437 174.3976 61 A 4.4329 8.9676 128.2111 53.8130 20.4076 177.2539 62 D 4.6007 7.6854 113.3564 53.1850 44.9703 174.4364 63 L 4.9150 8.3227 127.2267 54.2879 45.1889 173.7843 64 H 5.0522 9.6681 126.6949 54.4161 32.9396 171.4808 65 C 4.9194 8.8250 125.3565 57.4363 34.0072 172.4923 66 R 4.2950 8.6636 127.0891 54.5293 31.9673 174.6593 67 F 4.4820 8.5794 125.7184 56.4324 38.8243 175.7739 68 V 3.9230 8.6883 125.3021 65.1731 31.8762 176.2596 69 A 4.7204 7.6248 119.8542 49.8322 21.9623 173.7160 70 P 4.7545 0.0000 0.0000 62.9899 32.5612 175.6954 71 S 5.1737 8.4950 116.1591 57.0142 66.6073 173.4191 72 R 5.3004 9.0342 120.4487 52.5977 34.3942 174.7955 73 L 3.9940 8.5825 122.2198 57.3488 42.1607 177.7041 74 G 4.0308 9.0853 114.9389 45.1060 0.0000 173.4200 75 E 4.2359 8.1142 119.9278 56.6153 30.8669 175.9106 76 T 4.8803 8.3951 119.8169 62.3635 69.9318 174.1613 77 L 4.7054 8.9191 126.8327 53.4678 44.8277 175.4338 78 T 4.7263 8.2024 118.0038 61.9545 71.2154 173.4111 79 R 4.6647 8.7208 125.4575 54.3058 32.4980 175.0817 80 E 5.4184 9.1514 122.6824 54.5009 33.6797 174.3694 81 L 5.2556 9.4272 126.1871 53.3848 45.1280 175.3043 82 R 5.0656 8.8333 123.4862 54.4158 34.8863 174.1507 83 V 4.4785 8.6271 121.4002 61.8899 32.7519 176.6478 84 V 3.9379 8.9663 128.6342 65.1225 32.4081 176.0906 85 K 4.7097 7.7774 119.3604 55.2325 35.7865 174.7766 86 L 4.9559 8.5741 127.7256 53.7475 44.9615 175.3038 87 G 4.3650 8.8600 119.2983 45.0170 0.0000 172.8008 88 Q 4.2521 8.7161 116.6045 57.6575 29.7275 177.1028 89 S 4.6640 8.1293 110.9389 59.1830 65.4089 174.1709 90 S 5.3289 8.0964 113.5627 57.5383 64.3437 172.8870 91 F 5.5133 8.8482 118.8027 56.0408 41.6724 172.9601 92 T 5.1133 9.2983 117.9265 62.0275 71.3895 173.6287 93 V 4.8797 9.0184 119.3144 59.5108 35.7416 174.2709 94 Q 4.9773 8.9067 123.4618 54.3612 31.9195 174.2577 95 V 5.0643 9.0621 126.1661 61.1953 34.8767 174.2300 96 R 5.1184 9.1264 125.9900 54.5555 33.7215 174.9866 97 F 5.8194 8.3935 121.1802 54.9883 42.9743 174.6278 *99 G 3.9628 8.2525 108.2840 44.7094 0.0000 171.9204 100 P 4.3463 0.0000 0.0000 64.8055 31.3650 176.8144 101 D 4.8103 7.9258 117.9969 54.2835 41.1756 177.0090 102 S 4.0782 8.2496 113.3115 58.5797 61.0348 170.5003 103 G 3.7161 7.7534 109.8083 44.8416 0.0000 173.6198 104 L 4.0957 8.4261 126.0370 55.1573 42.9774 176.1551 105 R 4.7344 9.2074 125.1221 57.5647 32.3829 176.2032 106 L 4.6490 7.2881 116.5646 54.2986 43.9097 173.9012 107 E 5.0002 8.6178 121.9913 54.3362 32.9741 174.7702 108 V 4.8239 8.7788 125.9589 60.3502 35.1568 174.1413 109 T 5.0172 8.8179 121.8030 61.9045 70.8076 173.3929 110 Q 4.8870 9.1393 127.3641 54.3551 32.7407 173.3454 111 R 4.9127 9.0068 127.4521 54.7578 31.9883 174.8647 112 L 5.0637 8.4574 126.0293 52.7692 45.6549 175.5036 113 V 4.7793 8.2246 120.1693 61.1796 34.9196 174.1278 114 C 4.9116 9.3324 129.0277 59.5820 32.7259 172.6753 115 V 5.0216 8.8782 118.4272 59.5298 36.3902 174.4223 116 D 5.1144 9.2549 123.3661 54.8064 41.9307 177.2136 117 T 4.3348 9.0348 114.3104 62.4714 70.3639 174.5879 118 D 4.7475 8.1159 123.5403 51.4649 40.2299 180.5018 119 K 5.1648 7.6297 125.7695 50.8245 35.2956 176.0291 120 I 4.6422 8.4317 115.9765 63.0984 37.6257 176.1534 121 A 4.3552 8.1260 123.0405 50.6147 21.9901 174.0997 122 P 4.9611 0.0000 0.0000 62.8731 32.2303 175.8495 123 R 4.8956 8.7766 118.2719 53.7856 32.7965 173.0513 124 P 4.6843 0.0000 0.0000 62.5427 32.1334 176.1308 125 L 4.1998 8.6928 122.3576 54.3124 42.4930 175.6601 126 P 4.0638 0.0000 0.0000 62.8732 32.1450 176.9974 127 D 4.3012 8.7687 122.1857 57.4268 40.7706 177.8117 128 P 4.3210 0.0000 0.0000 65.0707 31.0621 179.0339 129 V 3.3267 7.2883 116.2812 65.9165 31.6621 177.5449 130 R 3.9082 7.6510 117.0509 59.4310 29.9238 178.1383 131 Q 4.1472 7.9754 116.9119 58.6421 28.8933 179.6007 132 A 4.1286 7.9153 120.6780 52.2758 18.2023 179.1119 *134 A 4.3250 8.1006 126.4199 53.9772 20.6992 179.9693 135 T 3.9490 7.8287 105.2990 64.0001 69.1359 175.3367 136 Y 4.6111 7.9917 118.7821 57.7879 38.6164 175.0402 137 V 4.1781 7.4929 121.5137 62.5517 32.0641 174.8873 138 D 4.7960 9.0061 127.9894 52.3180 40.9695 176.2840 139 E 4.1616 8.6458 126.5628 58.4413 29.6969 178.7160 140 T 4.1243 7.9512 108.7209 63.7220 69.2891 176.0402 141 L 4.0677 8.0818 122.1735 56.8765 41.9927 176.7546 142 A 4.2913 7.8825 124.7648 52.1966 19.0089 176.5772 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 0 G 8.34 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 *2 T 8.85 4.01 4.36 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 0.00 0.00 0.00 1.25 0.00 0.00 3 A 8.20 4.42 0.62 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 4 V 8.35 4.83 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 0.94 0.00 0.00 0.99 0.00 0.00 5 F 9.15 5.15 0.00 3.16 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 6 R 7.98 5.74 0.00 1.78 1.62 0.00 3.10 0.00 0.00 3.88 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 7 N 8.21 4.86 0.00 2.81 2.79 0.00 0.00 5.71 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 8 T 8.31 5.09 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 1.14 0.00 0.00 9 V 8.35 4.44 1.93 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 0.50 0.00 0.00 0.90 0.00 0.00 10 L 8.50 4.64 0.00 1.66 1.62 0.99 0.98 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 11 V 9.10 3.91 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 0.99 0.00 0.00 0.97 0.00 0.00 12 R 8.76 4.96 0.00 1.72 1.81 0.00 3.18 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 1.64 1.80 0.00 13 F 8.80 4.03 0.00 3.08 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 14 K 8.02 4.10 0.00 1.90 1.96 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.28 7.81 15 H 8.22 4.59 0.00 3.32 3.23 0.00 5.59 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 16 C 7.29 5.18 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 4.47 0.00 2.59 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 18 A 8.64 3.89 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 19 A 7.47 4.13 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 20 G 7.93 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 21 I 7.38 4.83 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 1.24 0.81 1.00 0.00 0.00 22 V 8.33 4.02 1.56 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 -0.29 0.00 0.00 0.72 0.00 0.00 23 F 8.97 4.74 0.00 2.93 2.93 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 24 Y 8.62 4.17 0.00 2.81 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 25 P 0.00 4.43 0.00 1.68 1.89 0.00 2.20 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 0.72 0.98 0.00 26 R 7.94 4.03 0.00 1.79 1.99 0.00 3.39 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.10 0.00 27 Y 7.48 4.46 0.00 2.89 2.50 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 28 F 7.99 4.68 0.00 3.40 3.13 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 29 E 7.87 4.38 0.00 2.37 2.06 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 2.42 2.41 0.00 *31 L 7.86 4.61 0.00 2.02 2.17 1.17 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.71 4.46 0.00 3.09 2.94 0.00 0.00 7.30 9.07 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 33 D 8.43 4.58 0.00 2.86 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 34 F 8.27 4.56 0.00 3.06 3.42 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 35 I 8.23 3.84 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.01 1.45 0.00 0.00 36 E 8.37 2.70 0.00 1.53 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 1.97 1.47 0.00 37 D 8.26 4.38 0.00 3.19 3.04 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 38 W 8.12 2.72 0.00 2.58 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 39 F 8.48 3.42 0.00 3.24 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 40 A 7.86 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 41 Q 8.33 4.12 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.67 2.77 0.00 42 A 7.63 4.35 1.13 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 0.00 0.00 43 L 7.22 4.07 0.00 1.13 1.12 -1.56 0.15 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 44 D 7.99 4.43 0.00 2.72 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 45 W 8.26 5.55 0.00 3.12 3.25 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 46 P 0.00 4.58 0.00 2.50 2.22 0.00 3.96 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 47 F 8.83 4.11 0.00 2.79 3.11 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 48 D 8.38 4.46 0.00 2.85 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 49 A 7.70 4.36 1.41 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 0.00 0.00 *51 H 7.67 4.85 0.00 3.15 3.33 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.17 3.69 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 0.00 53 A 9.65 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 54 G 8.25 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 0.00 0.00 0.00 55 Q 8.04 3.22 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 56 A 7.40 5.17 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 57 G 8.37 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.45 5.24 2.25 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 1.05 0.00 0.00 0.56 0.00 0.00 59 P 0.00 4.39 0.00 2.07 2.13 0.00 3.95 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 2.12 1.97 0.00 60 T 8.38 4.44 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 1.23 0.00 0.00 61 A 8.97 4.43 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 62 D 7.69 4.60 0.00 2.66 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 63 L 8.32 4.91 0.00 1.59 1.40 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 64 H 9.67 5.05 0.00 3.15 3.06 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.82 4.92 0.00 2.97 2.70 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 66 R 8.66 4.30 0.00 1.64 1.52 0.00 3.05 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 67 F 8.58 4.48 0.00 2.92 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 68 V 8.69 3.92 2.26 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 0.73 0.00 0.00 0.83 0.00 0.00 69 A 7.62 4.72 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 70 P 0.00 4.75 0.00 2.14 2.12 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 71 S 8.50 5.17 0.00 3.86 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 72 R 9.03 5.30 0.00 1.72 1.78 0.00 3.19 0.00 0.00 3.20 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 73 L 8.58 3.99 0.00 1.59 1.65 1.04 1.25 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 74 G 9.09 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 75 E 8.11 4.24 0.00 2.03 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 2.34 2.45 0.00 76 T 8.40 4.88 4.22 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 1.21 0.00 0.00 77 L 8.92 4.71 0.00 1.36 1.47 1.13 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.20 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 1.16 0.00 0.00 79 R 8.72 4.66 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 80 E 9.15 5.42 0.00 1.91 1.86 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 2.23 2.20 0.00 81 L 9.43 5.26 0.00 1.58 1.18 -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.83 5.07 0.00 1.77 1.80 0.00 3.18 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 83 V 8.63 4.48 2.17 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 1.19 0.00 0.00 1.12 0.00 0.00 84 V 8.97 3.94 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 0.79 0.00 0.00 0.95 0.00 0.00 85 K 7.78 4.71 0.00 1.88 1.64 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.48 7.81 86 L 8.57 4.96 0.00 1.67 1.56 1.00 1.10 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 87 G 8.86 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.72 4.25 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.71 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 89 S 8.13 4.66 0.00 3.98 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 90 S 8.10 5.33 0.00 3.99 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 5.51 0.00 3.19 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 92 T 9.30 5.11 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 1.25 0.00 0.00 93 V 9.02 4.88 1.97 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 0.68 0.00 0.00 0.99 0.00 0.00 94 Q 8.91 4.98 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 95 V 9.06 5.06 2.17 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 1.40 0.00 0.00 1.11 0.00 0.00 96 R 9.13 5.12 0.00 1.78 1.77 0.00 3.25 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 97 F 8.39 5.82 0.00 2.69 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 G 8.25 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 0.00 100 P 0.00 4.35 0.00 2.19 2.19 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 101 D 7.93 4.81 0.00 2.67 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 0.00 102 S 8.25 4.08 0.00 4.06 4.05 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 0.00 103 G 7.75 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 0.00 0.00 0.00 104 L 8.43 4.10 0.00 1.58 1.56 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.21 4.73 0.00 1.88 2.00 0.00 3.67 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 106 L 7.29 4.65 0.00 1.04 1.07 -0.04 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.62 5.00 0.00 1.90 1.61 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 2.07 2.13 0.00 108 V 8.78 4.82 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 0.74 0.00 0.00 1.01 0.00 0.00 109 T 8.82 5.02 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 1.26 0.00 0.00 110 Q 9.14 4.89 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 111 R 9.01 4.91 0.00 1.86 1.71 0.00 3.08 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 1.45 1.66 0.00 112 L 8.46 5.06 0.00 0.27 1.15 0.84 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.22 4.78 2.06 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 0.97 0.00 0.00 0.90 0.00 0.00 114 C 9.33 4.91 0.00 3.38 3.16 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 0.00 115 V 8.88 5.02 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 0.74 0.00 0.00 0.90 0.00 0.00 116 D 9.25 5.11 0.00 2.56 2.59 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 0.00 117 T 9.03 4.33 4.22 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 1.18 0.00 0.00 118 D 8.12 4.75 0.00 2.67 2.47 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 0.00 119 K 7.63 5.16 0.00 1.74 1.62 0.00 1.69 0.00 0.00 2.36 0.00 0.00 2.87 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.95 7.81 120 I 8.43 4.64 1.86 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 1.21 1.61 0.90 0.00 0.00 121 A 8.13 4.36 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 0.00 122 P 0.00 4.96 0.00 1.97 2.02 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 123 R 8.78 4.90 0.00 1.77 1.87 0.00 3.30 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 124 P 0.00 4.68 0.00 2.09 2.10 0.00 3.79 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 1.98 2.00 0.00 125 L 8.69 4.20 0.00 1.50 1.59 0.92 1.03 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 0.00 126 P 0.00 4.06 0.00 1.56 1.43 0.00 3.12 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.16 0.00 127 D 8.77 4.30 0.00 2.58 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 0.00 128 P 0.00 4.32 0.00 2.00 1.99 0.00 3.30 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 129 V 7.29 3.33 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 0.66 0.00 0.00 0.66 0.00 0.00 130 R 7.65 3.91 0.00 1.77 1.98 0.00 3.43 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 131 Q 7.98 4.15 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.42 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 132 A 7.92 4.13 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 *134 A 8.10 4.32 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 0.00 135 T 7.83 3.95 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 1.27 0.00 0.00 136 Y 7.99 4.61 0.00 3.30 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 0.00 137 V 7.49 4.18 2.26 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 0.77 0.00 0.00 1.07 0.00 0.00 138 D 9.01 4.80 0.00 2.69 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 0.00 139 E 8.65 4.16 0.00 2.27 2.01 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 2.31 1.87 0.00 140 T 7.95 4.12 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 1.24 0.00 0.00 141 L 8.08 4.07 0.00 1.77 1.78 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.88 4.29 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 * Residues marked with a * may have inaccurate shift predictions.