NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 F 4.4721 8.2060 122.1709 58.1891 40.8938 177.7101 16 E 3.8788 8.1614 116.1524 56.8320 29.5340 179.1991 17 F 4.6630 8.6736 112.2923 58.3169 39.5527 176.6279 18 E 4.0372 7.7885 121.2393 57.5513 29.5449 177.8396 19 E 4.4069 7.9276 115.7745 56.1496 31.0829 175.7543 20 K 4.1711 7.8106 123.6254 56.0586 33.0635 177.1061 21 K 4.7718 8.6075 127.4413 53.8717 32.9235 174.6144 22 I 3.8116 8.6768 121.0538 64.7217 37.2658 178.6519 23 R 3.9132 7.6765 119.6314 59.5348 29.8165 177.3275 24 E 4.2003 8.0747 116.0636 57.9390 29.8882 177.0449 25 I 4.2546 7.2715 112.1636 58.3509 37.0876 173.5097 *27 V 3.9419 7.5220 124.9189 62.5827 33.1881 172.8033 28 P 4.7083 0.0000 0.0000 62.9504 32.1887 177.2395 29 R 3.7967 8.5628 123.3580 60.2115 29.7486 177.6829 30 T 4.0039 8.1003 111.4994 64.5350 67.8103 174.2388 31 D 4.5090 7.8912 123.2389 52.3493 39.2873 174.4605 *33 V 3.8238 7.4905 118.1143 62.6025 32.6672 174.6882 34 C 5.0358 8.5746 127.1051 54.8761 45.8148 172.7877 35 I 4.2304 8.4307 127.1230 60.8611 38.0590 174.9850 36 Y 4.8851 9.2105 125.7155 57.0628 38.8061 176.9856 37 E 3.9981 9.1004 120.8069 58.9786 29.7724 177.7804 38 S 4.5750 7.9877 111.8802 57.9366 62.6813 173.4976 39 D 4.5572 7.8394 119.4574 54.5020 41.4242 177.0169 40 S 4.4382 8.3304 117.2928 58.1591 65.2320 175.3336 41 E 4.0139 8.5992 121.9585 59.3913 29.2039 179.4066 42 E 3.9750 8.1256 118.3448 59.3373 29.6357 179.0970 43 K 3.9374 8.0705 119.5595 59.4439 32.1546 178.8708 44 I 3.6021 7.6003 119.5381 64.4928 37.0873 178.4500 45 L 4.0291 7.9895 119.5075 57.7024 41.5152 179.4608 46 A 4.0406 8.2169 121.1098 55.0165 18.2487 179.7654 47 I 3.7555 7.8614 111.6150 64.1009 37.6755 178.2252 48 L 4.0155 7.7975 121.5744 56.6020 41.4760 179.2885 49 K 4.1710 8.0188 118.4434 59.5101 32.2971 178.2963 50 E 4.0635 7.8254 117.6990 58.4361 30.0954 177.0461 51 E 4.2950 7.9695 117.6095 56.1638 30.4812 177.2638 52 G 4.1559 8.3811 111.4720 45.4795 0.0000 173.6395 53 V 4.4079 7.5438 116.5518 61.1095 35.1479 174.4304 54 T 4.4793 8.1720 119.9585 63.8438 71.1280 174.4088 55 R 5.1485 7.6006 119.2507 54.4220 33.0821 174.6262 56 Y 4.8132 9.5192 122.0038 55.0807 41.2295 173.7123 57 P 4.7656 0.0000 0.0000 63.0859 33.0381 175.0320 58 V 4.8109 8.6592 121.6272 61.4587 34.0011 173.7039 59 C 5.4748 8.9831 124.7133 55.1182 43.9268 172.8956 60 R 4.5977 8.5769 122.7680 56.1085 30.2400 175.0904 61 K 4.3722 9.6731 130.6650 56.3958 30.7066 175.9386 62 N 5.3811 7.4999 112.6917 50.9132 40.5323 174.8731 63 K 4.2592 8.7198 116.3087 57.9636 32.1611 177.7087 64 D 4.7621 8.2187 117.6576 53.8985 41.7365 176.6012 65 D 4.8642 7.7980 119.9598 52.3513 40.3397 173.5223 66 I 4.5429 7.7833 121.9272 60.5387 38.2527 176.2763 67 L 4.4103 9.3309 125.7563 54.4439 42.9392 178.0248 68 G 3.9260 6.9098 105.0222 45.7452 0.0000 170.2055 69 F 5.5225 8.5840 116.1116 55.5489 42.2870 174.1881 70 V 4.5811 9.4930 111.5157 59.8520 36.1950 174.2674 71 H 5.2624 8.5098 122.1757 54.6290 31.6989 175.4973 72 I 3.5489 8.8214 125.2783 64.3737 37.6810 178.6727 73 R 4.0954 8.2319 118.4667 59.1808 30.0490 178.3208 74 D 4.3694 8.1113 118.2172 57.4030 40.9791 178.6600 75 L 3.9427 7.6504 118.7168 58.1885 41.5583 179.3810 76 Y 4.4086 7.9362 116.4597 61.2761 37.8059 178.1300 77 N 4.3762 8.7948 117.8772 56.3332 38.4900 177.4967 78 Q 3.9917 8.1939 119.5470 58.9121 28.8392 178.8004 79 K 3.9853 8.0571 120.3721 59.3348 32.0138 179.0896 80 I 3.7195 7.8851 119.5315 64.5862 37.1950 177.9306 81 N 4.5485 8.1887 115.9096 55.4557 37.2511 176.4018 82 E 4.5592 8.4273 117.0744 54.5130 30.9929 175.5551 83 N 4.3462 8.2102 116.4163 53.4515 38.1288 173.5457 84 K 4.8002 7.3062 111.7504 55.8304 35.7289 174.2507 85 I 4.4262 8.6018 129.0731 60.5214 38.4149 176.4246 86 E 4.6352 9.2303 122.5555 53.2958 30.4780 172.9892 87 L 4.0444 8.4020 126.1586 57.1786 42.1223 179.7135 88 E 3.9614 8.2675 114.9639 59.3826 29.2609 177.9235 89 E 4.1666 8.0994 117.5292 57.5664 29.7374 177.1233 90 I 4.3833 7.4397 110.0328 59.7970 38.4121 175.1478 91 L 4.1435 7.8229 124.1069 55.4809 42.5085 176.0923 92 R 4.5673 8.6607 125.1643 54.0311 33.1985 175.3056 93 D 4.9384 8.6810 122.2200 54.4669 41.7117 175.4616 94 I 4.7128 8.3469 114.5914 59.1967 40.7891 174.2167 95 I 4.5913 7.5875 115.4855 59.3793 40.6127 173.8845 96 Y 5.2612 8.5888 120.4446 56.2349 40.3118 175.1863 97 I 4.7649 8.6707 116.6566 58.8549 41.5940 174.7915 98 S 4.9166 8.5649 118.2885 58.0222 63.4344 174.8433 99 E 4.1463 8.9810 123.0819 58.4822 29.5806 177.8759 100 N 4.7581 7.8422 115.8538 53.0068 39.3604 175.1286 101 L 4.0877 7.7069 122.5560 54.9651 42.9833 176.5027 102 T 4.6364 8.2669 115.8613 61.4121 71.1786 175.7089 103 I 3.7547 8.6428 124.2358 64.7504 36.9104 178.5829 104 D 4.4608 7.9460 119.7036 56.3640 39.4077 178.7449 105 K 4.1458 7.7524 118.9041 58.5085 32.0056 179.2034 106 A 3.9730 8.0574 121.5080 55.0187 18.3439 179.3813 107 L 3.8248 7.6983 118.2997 58.2734 42.1553 178.6941 108 E 3.9101 8.0173 118.4862 59.5798 29.4602 179.4449 109 R 3.8580 8.0144 118.1489 59.7373 29.7717 178.7026 110 I 3.8141 8.1078 122.1569 64.7667 37.1583 179.3193 111 R 4.0151 8.6992 124.4264 62.0395 29.0269 182.0876 112 K 4.2208 7.8675 123.5578 59.5755 31.8279 180.2313 113 E 4.4349 8.2376 119.5521 56.6231 29.7097 177.5528 114 K 3.9182 7.7892 118.9577 55.7581 29.5359 180.9157 115 L 4.9522 7.4724 117.6351 54.0388 44.8031 176.6221 116 Q 4.5890 8.3048 116.0156 55.6849 29.5578 175.1405 117 L 4.7872 7.4473 121.5980 53.3434 45.8349 174.1056 118 A 4.9533 8.9806 128.0616 50.0186 22.1866 174.9459 119 I 4.2313 8.3108 123.8420 60.8374 38.6514 175.1582 120 V 4.6823 8.7465 127.6598 61.5250 33.5653 174.6473 121 V 5.0188 8.9014 127.7058 61.2406 34.7144 175.3275 122 D 5.1543 8.8899 126.9012 52.3788 41.2778 176.4709 123 E 4.1863 8.7170 116.8654 57.9053 29.4740 176.9747 124 Y 4.4893 8.2750 115.2573 57.2379 38.7690 175.6390 125 G 3.7966 8.1262 107.9185 46.6271 0.0000 173.8906 126 G 4.1649 9.0359 107.9339 43.0996 0.0000 173.5711 127 T 4.4396 8.9221 117.1125 63.2187 68.7104 176.0012 128 S 4.6417 9.1855 121.8207 57.7588 64.7070 174.3384 129 G 4.1703 7.0405 107.0207 46.0527 0.0000 171.2565 130 V 5.0519 8.0830 118.6690 60.3484 34.7896 175.2470 131 V 4.4775 8.5652 120.7546 60.7943 35.0190 173.2953 132 T 4.7320 8.2156 117.2035 60.2670 69.9464 175.0303 133 I 3.6187 8.4543 125.4986 64.2225 37.9272 178.1375 134 E 3.8865 8.0377 118.8797 59.4911 29.4820 178.5795 135 D 4.3746 8.1092 118.3717 57.7283 40.8315 179.1397 136 I 3.7502 7.4294 119.5325 64.1366 37.1687 178.4141 137 L 3.8473 7.9987 119.9901 57.5704 41.3739 178.9003 138 E 3.8464 8.4765 119.7017 59.3952 29.2839 178.5225 139 E 3.8769 7.6790 117.1066 59.3856 29.9975 178.5431 140 I 3.2371 7.4507 119.6734 64.2860 37.2572 178.7456 141 V 3.7149 7.9565 118.9725 65.2407 30.9970 177.9795 142 G 3.9254 7.6957 107.5353 48.7609 0.0000 175.6766 143 E 4.3612 8.0550 118.1998 58.6469 29.9691 178.6129 144 I 4.3317 7.4137 115.9926 61.8232 37.8305 175.4290 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 15 F 8.21 4.47 0.00 3.06 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 16 E 8.16 3.88 0.00 2.01 1.96 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 2.32 1.93 0.00 17 F 8.67 4.66 0.00 3.14 3.33 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 18 E 7.79 4.04 0.00 1.87 1.82 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 1.89 1.47 0.00 19 E 7.93 4.41 0.00 1.95 1.99 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 2.21 2.28 0.00 20 K 7.81 4.17 0.00 2.11 1.76 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 21 K 8.61 4.77 0.00 1.72 1.66 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.03 7.81 22 I 8.68 3.81 1.88 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 1.19 0.92 0.90 0.00 0.00 23 R 7.68 3.91 0.00 1.98 2.01 0.00 3.28 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 24 E 8.07 4.20 0.00 2.15 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 2.36 2.26 0.00 25 I 7.27 4.25 1.85 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 1.18 0.65 0.91 0.00 0.00 *27 V 7.52 3.94 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 1.03 0.00 0.00 0.88 0.00 0.00 28 P 0.00 4.71 0.00 2.16 2.16 0.00 3.78 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 2.24 1.96 0.00 29 R 8.56 3.80 0.00 2.02 2.03 0.00 3.43 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 30 T 8.10 4.00 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 31 D 7.89 4.51 0.00 2.67 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 *33 V 7.49 3.82 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 0.97 0.00 0.00 1.01 0.00 0.00 34 C 8.57 5.04 0.00 2.77 2.20 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 35 I 8.43 4.23 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.41 0.87 0.00 0.00 36 Y 9.21 4.89 0.00 3.06 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 37 E 9.10 4.00 0.00 2.10 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 2.37 2.30 0.00 38 S 7.99 4.58 0.00 3.87 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 D 7.84 4.56 0.00 2.86 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 40 S 8.33 4.44 0.00 4.05 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 41 E 8.60 4.01 0.00 2.04 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 2.40 2.40 0.00 42 E 8.13 3.98 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 43 K 8.07 3.94 0.00 1.84 1.99 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 44 I 7.60 3.60 1.98 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 0.69 0.77 0.00 0.00 45 L 7.99 4.03 0.00 1.74 1.80 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.22 4.04 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 47 I 7.86 3.76 1.89 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 1.51 0.39 1.00 0.00 0.00 48 L 7.80 4.02 0.00 1.62 1.73 0.41 -0.06 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 49 K 8.02 4.17 0.00 1.98 2.01 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 50 E 7.83 4.06 0.00 2.16 2.00 0.00 0.00 0.00 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 2.37 0.00 51 E 7.97 4.29 0.00 2.34 1.99 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 2.44 2.58 0.00 52 G 8.38 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 0.00 0.00 0.00 53 V 7.54 4.41 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 0.15 0.00 0.00 0.81 0.00 0.00 54 T 8.17 4.48 4.15 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 0.99 0.00 0.00 55 R 7.60 5.15 0.00 1.40 1.57 0.00 2.98 0.00 0.00 2.85 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.53 0.00 56 Y 9.52 4.81 0.00 2.76 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 57 P 0.00 4.77 0.00 2.09 2.16 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.92 0.00 58 V 8.66 4.81 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 1.08 0.00 0.00 0.94 0.00 0.00 59 C 8.98 5.47 0.00 2.47 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 60 R 8.58 4.60 0.00 1.87 1.98 0.00 3.49 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 61 K 9.67 4.37 0.00 2.04 2.04 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.38 7.81 62 N 7.50 5.38 0.00 2.96 2.94 0.00 0.00 6.11 6.42 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 63 K 8.72 4.26 0.00 1.83 1.92 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.40 1.53 7.81 64 D 8.22 4.76 0.00 2.90 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 65 D 7.80 4.86 0.00 2.79 2.79 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 66 I 7.78 4.54 2.07 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 1.54 0.99 0.96 0.00 0.00 67 L 9.33 4.41 0.00 1.62 1.74 0.94 0.79 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 68 G 6.91 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 69 F 8.58 5.52 0.00 3.09 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 70 V 9.49 4.58 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 0.65 0.00 0.00 1.03 0.00 0.00 71 H 8.51 5.26 0.00 3.30 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.82 3.55 2.04 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 0.88 1.01 0.99 0.00 0.00 73 R 8.23 4.10 0.00 1.88 1.98 0.00 3.22 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 74 D 8.11 4.37 0.00 2.81 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 75 L 7.65 3.94 0.00 1.67 1.54 0.70 0.81 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 76 Y 7.94 4.41 0.00 3.14 2.84 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 77 N 8.79 4.38 0.00 2.77 2.89 0.00 0.00 7.06 7.63 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 78 Q 8.19 3.99 0.00 2.31 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 79 K 8.06 3.99 0.00 1.96 2.01 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.55 7.81 80 I 7.89 3.72 1.89 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 1.50 0.80 0.91 0.00 0.00 81 N 8.19 4.55 0.00 2.78 2.88 0.00 0.00 6.92 7.23 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 82 E 8.43 4.56 0.00 2.04 1.92 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 2.21 2.27 0.00 83 N 8.21 4.35 0.00 2.82 2.85 0.00 0.00 6.86 6.31 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 84 K 7.31 4.80 0.00 1.69 1.61 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.36 7.81 85 I 8.60 4.43 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 1.15 0.73 0.96 0.00 0.00 86 E 9.23 4.64 0.00 1.80 1.81 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 2.12 2.10 0.00 87 L 8.40 4.04 0.00 1.69 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.27 3.96 0.00 2.06 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 2.27 2.29 0.00 89 E 8.10 4.17 0.00 2.15 2.02 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 2.33 2.23 0.00 90 I 7.44 4.38 1.81 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 1.18 0.70 0.88 0.00 0.00 91 L 7.82 4.14 0.00 1.83 1.56 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.66 4.57 0.00 0.67 1.12 0.00 2.83 0.00 0.00 2.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 93 D 8.68 4.94 0.00 2.60 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 94 I 8.35 4.71 1.60 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.90 0.00 0.00 95 I 7.59 4.59 1.87 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 1.16 0.59 0.91 0.00 0.00 96 Y 8.59 5.26 0.00 2.82 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 I 8.67 4.76 1.89 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 1.10 1.31 0.92 0.00 0.00 98 S 8.56 4.92 0.00 3.94 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 99 E 8.98 4.15 0.00 2.25 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 2.31 2.30 0.00 100 N 7.84 4.76 0.00 2.75 2.89 0.00 0.00 6.90 7.91 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 0.00 101 L 7.71 4.09 0.00 1.83 1.54 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.27 4.64 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 1.26 0.00 0.00 103 I 8.64 3.75 2.13 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 1.60 1.30 0.87 0.00 0.00 104 D 7.95 4.46 0.00 3.08 3.34 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 0.00 105 K 7.75 4.15 0.00 1.90 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.46 7.81 106 A 8.06 3.97 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 0.00 107 L 7.70 3.82 0.00 1.71 1.80 0.86 1.17 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 0.00 108 E 8.02 3.91 0.00 2.27 2.00 0.00 0.00 0.00 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 2.50 0.00 109 R 8.01 3.86 0.00 2.08 2.11 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 110 I 8.11 3.81 1.83 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 1.33 0.90 0.89 0.00 0.00 111 R 8.70 4.02 0.00 1.76 1.94 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 112 K 7.87 4.22 0.00 1.85 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.36 7.81 113 E 8.24 4.43 0.00 1.95 2.03 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 2.60 2.47 0.00 114 K 7.79 3.92 0.00 1.99 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.27 7.81 115 L 7.47 4.95 0.00 1.57 1.55 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 8.30 4.59 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 117 L 7.45 4.79 0.00 1.03 0.80 0.64 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.98 4.95 1.12 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 0.00 0.00 119 I 8.31 4.23 1.37 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.34 1.02 0.00 0.00 120 V 8.75 4.68 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 1.03 0.00 0.00 0.91 0.00 0.00 121 V 8.90 5.02 2.29 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 0.97 0.00 0.00 1.06 0.00 0.00 122 D 8.89 5.15 0.00 3.07 2.91 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 0.00 123 E 8.72 4.19 0.00 1.66 1.73 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 2.26 2.30 0.00 124 Y 8.28 4.49 0.00 3.02 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 0.00 125 G 8.13 3.80 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 0.00 0.00 0.00 126 G 9.04 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 0.00 0.00 0.00 127 T 8.92 4.44 4.45 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 1.27 0.00 0.00 128 S 9.19 4.64 0.00 4.01 4.15 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 0.00 129 G 7.04 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 0.00 0.00 0.00 0.00 130 V 8.08 5.05 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 0.66 0.00 0.00 0.83 0.00 0.00 131 V 8.57 4.48 2.03 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 0.73 0.00 0.00 0.88 0.00 0.00 132 T 8.22 4.73 4.10 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 1.34 0.00 0.00 133 I 8.45 3.62 1.80 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 1.47 1.35 0.89 0.00 0.00 134 E 8.04 3.89 0.00 2.03 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 0.00 2.36 2.42 0.00 135 D 8.11 4.37 0.00 2.83 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 0.00 136 I 7.43 3.75 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.61 0.87 0.00 0.00 137 L 8.00 3.85 0.00 1.62 1.64 0.87 0.67 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 0.00 138 E 8.48 3.85 0.00 2.11 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 2.28 2.30 0.00 139 E 7.68 3.88 0.00 2.09 2.03 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 2.33 2.41 0.00 140 I 7.45 3.24 1.54 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.06 0.21 0.00 0.00 141 V 7.96 3.71 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 0.98 0.00 0.00 0.93 0.00 0.00 142 G 7.70 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 0.00 143 E 8.05 4.36 0.00 2.10 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 2.26 2.18 0.00 144 I 7.41 4.33 1.94 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.13 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.