NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 K 3.7909 8.2993 119.9556 61.5829 33.8749 178.3669 9 V 2.8154 7.2593 112.9075 63.2810 29.7781 172.2535 10 Y 4.2645 8.2750 123.7794 57.7986 39.3655 176.9601 11 D 4.5725 8.7352 124.1571 53.2760 40.6354 175.6978 12 L 4.7131 8.2454 125.9592 54.7739 42.2321 179.2032 13 S 4.0691 8.0444 114.9190 61.1852 62.8368 176.0099 14 F 4.3644 7.1524 118.2950 59.5177 39.0881 175.8057 15 F 4.6318 7.4394 121.1909 55.2210 37.4690 173.1696 *17 P 4.4452 0.0000 0.0000 62.6592 33.7689 179.5968 18 G 3.8707 7.9544 107.4154 43.4268 0.0000 172.7828 19 Q 4.5936 7.3001 127.8155 55.7457 31.3481 172.3306 20 T 3.7517 7.7351 112.7661 61.1174 68.8777 173.8363 21 I 3.5909 8.3267 127.2000 61.9659 37.5924 175.2402 22 D 4.7399 8.3065 122.9219 52.0009 42.9283 175.6339 23 A 4.1892 8.6286 125.9145 52.7052 19.9842 176.7176 24 E 4.1417 7.5387 111.8014 55.3844 30.8859 177.2828 25 E 4.6450 8.4616 110.7455 55.4965 28.3755 173.5338 26 V 4.3216 8.8544 124.0432 61.2512 33.5007 174.0706 27 E 5.1651 8.8558 127.6553 55.7259 30.9344 176.0967 28 V 4.4764 9.5711 124.0846 60.9356 33.8592 172.9685 29 P 4.9445 0.0000 0.0000 61.7271 29.7819 176.5562 30 I 3.9203 7.7847 127.6461 64.6466 37.9656 176.5472 31 S 4.4699 7.4265 112.2137 56.9545 65.2446 174.6207 32 K 4.3270 8.3838 125.0174 57.4570 32.2146 177.9354 33 R 3.9573 7.4759 117.5905 56.9844 30.5145 176.2132 34 F 5.0940 7.3272 117.1210 55.9230 39.7079 175.2485 35 V 5.0029 8.2314 118.1729 59.5286 35.5514 175.1197 36 D 4.8790 8.5393 122.0841 51.4348 41.4656 177.0433 37 K 3.7896 8.6933 117.4096 60.1644 31.9254 177.1134 38 E 4.3585 8.7051 117.8117 55.8813 29.2576 177.7126 39 G 3.9582 8.3413 106.5793 45.7914 0.0000 174.0360 40 N 4.7351 7.6546 117.5337 51.7112 39.6901 175.0514 41 V 4.0332 8.2895 121.5136 63.3442 32.1250 175.8231 42 V 4.4527 8.6932 127.7943 60.6575 31.5333 173.6539 43 P 4.8793 0.0000 0.0000 62.6917 32.4375 176.1414 44 F 4.6869 9.9387 120.6358 57.4797 40.8244 174.6248 45 I 4.9879 8.8863 123.1563 59.9191 39.2180 174.9275 46 F 5.3386 9.4271 126.2550 56.0783 42.2389 175.3403 47 K 5.5003 9.5292 120.1621 56.7627 35.3465 174.6556 48 A 4.1885 9.6344 131.7924 52.8834 18.8039 177.1078 49 I 4.3064 8.4706 115.5919 59.7901 40.1246 175.8707 50 T 4.4187 7.9977 110.3847 61.2957 71.4231 175.6602 51 T 3.9623 8.2778 118.2392 66.8583 68.5319 176.5876 52 D 4.4210 8.1725 120.3925 57.6462 40.8924 178.8964 53 R 3.9985 8.1147 118.9534 59.4193 30.0639 178.6133 54 I 3.9769 8.0171 119.6964 64.0101 37.0414 178.2775 55 D 4.3577 8.0405 119.9080 57.5871 40.7045 178.5724 56 E 4.0575 8.2161 118.9310 59.3608 29.1413 179.5427 57 L 4.1044 7.8760 118.6076 57.5047 41.9782 178.7837 58 E 3.1973 8.2528 119.3840 58.8110 29.5654 178.4101 59 K 3.8194 7.8352 120.9623 59.0236 32.0135 178.0655 60 E 4.0613 8.2351 117.9215 58.3510 29.5307 176.9021 61 N 5.0416 8.1367 116.2253 52.8666 39.5701 173.7423 62 T 4.9708 7.4161 107.8505 60.6801 71.4219 174.3508 63 T 4.0637 9.6318 110.5838 62.7106 70.8549 172.9038 *75 E 3.9016 7.8146 123.2552 56.3037 29.6020 173.6737 76 L 4.6986 8.1221 127.9797 53.2150 43.9576 176.7702 77 D 4.5831 9.1128 126.4227 53.1167 39.9357 176.9052 78 S 3.8285 8.2205 121.5964 61.1188 63.2398 175.2781 79 Q 4.1213 8.2171 121.7738 59.6744 28.5576 179.0107 80 R 3.9435 8.3795 119.1931 59.2205 30.1447 178.0046 81 F 4.2677 8.3673 120.8358 61.8570 39.2973 176.8073 82 Y 4.0120 8.2912 116.3868 60.7808 37.5208 178.4127 83 A 4.0160 8.1022 121.7500 55.3377 18.5588 179.8812 84 R 3.9925 8.3101 116.7727 59.4087 30.0785 179.3277 85 I 3.6250 7.6118 119.3839 64.2458 37.1814 178.2508 86 A 3.6576 7.9369 121.6035 54.9849 17.7993 179.5609 87 V 4.1076 8.0453 115.7650 66.8071 31.7123 177.9343 88 E 4.1955 8.1000 116.2463 59.2181 29.5704 178.8435 89 T 4.5891 8.3562 116.9148 63.7761 68.4106 174.0997 90 T 4.4046 7.2665 117.9089 61.8145 68.4815 174.8512 91 V 3.6329 8.6490 128.3761 65.3223 32.0075 176.0953 92 Y 4.4447 7.2988 121.2386 55.2560 41.0234 171.7783 93 P 4.0991 0.0000 0.0000 61.8139 32.7218 175.3338 94 T 4.0576 7.7752 115.2450 60.5919 67.6067 175.2431 95 F 4.6546 8.1626 127.2809 59.0937 38.9987 176.1459 96 K 4.2452 7.5476 118.2209 57.0458 32.6501 177.7303 97 A 4.0173 7.9499 122.2455 52.2435 19.5359 177.9656 98 K 3.7952 8.8056 124.9066 59.7479 32.2811 178.5921 99 E 3.9430 8.1749 118.8870 59.3841 29.5594 178.6815 100 L 4.2508 7.8880 118.4832 57.6725 41.8779 179.4096 101 R 4.2089 8.2221 119.6580 58.8982 29.8914 178.6191 102 E 3.9561 8.6852 118.6560 59.2799 29.2830 178.9507 103 A 3.8427 8.0435 121.5941 55.4356 18.5423 178.0311 104 Y 4.1489 8.0873 110.0388 57.1250 38.7209 175.5903 105 K 3.8384 7.8965 119.0029 56.5837 29.7049 175.2322 106 T 4.4492 7.9538 110.4205 61.5116 71.0677 173.3201 107 E 4.2324 8.7909 126.6722 56.9741 30.2514 176.4406 108 D 4.6227 7.8647 119.6205 52.6080 41.6635 174.5016 109 P 4.4661 0.0000 0.0000 65.8064 31.3455 178.7469 110 V 3.7821 7.9200 117.2175 65.6773 31.3304 177.7389 111 E 3.8745 7.9415 118.9123 58.7903 29.4991 178.4781 112 V 3.2869 8.0245 118.6101 65.8885 31.5488 177.7731 113 A 2.0000 7.2744 120.1039 54.5844 17.8264 179.8397 114 K 3.7838 7.3833 115.6395 59.4090 32.0743 179.5430 115 R 4.0235 7.7700 118.1049 58.6513 30.0429 179.0117 116 V 3.5369 7.1708 117.6976 65.2533 33.3270 177.6259 117 L 4.6203 7.9482 121.0927 53.5055 38.0170 177.6856 118 S 4.3352 7.7473 110.9377 59.0981 64.1650 174.8119 119 V 4.1679 7.5688 122.3341 61.7184 32.2711 175.9819 120 G 4.0692 8.6169 114.4621 48.2598 0.0000 175.0874 121 G 3.8853 8.2451 107.9513 47.3608 0.0000 175.1020 122 E 3.9814 8.2751 120.6124 59.3851 29.5365 178.7806 123 Y 4.1201 8.1582 118.7895 60.7788 38.9489 177.8884 124 A 4.0997 8.3833 121.6934 55.2566 18.4066 179.4154 125 N 4.3106 8.5956 115.4194 55.9860 38.6012 177.4508 126 W 4.3192 8.6707 130.2713 60.4566 30.8622 177.8408 127 L 3.2812 7.8008 118.7869 57.8893 41.0162 179.3893 128 N 4.1727 7.9889 116.1273 56.0500 38.3509 177.3483 129 K 3.6021 8.1397 121.0189 59.2426 32.0159 178.6300 130 A 3.9301 7.6517 120.8745 55.3132 18.2565 179.6532 131 I 3.6495 7.5532 118.2539 64.4093 37.1004 178.4006 132 E 3.8637 8.2089 120.3376 59.3595 29.3231 178.8911 133 I 3.7397 8.0502 119.0068 63.7006 37.0363 176.8141 134 N 4.7898 7.5269 116.2743 52.6584 39.1538 175.9167 135 G 3.6290 7.6397 106.9549 45.8309 0.0000 174.3029 136 F 4.3430 7.5583 118.8618 57.2027 39.1738 175.3259 137 D 4.7203 8.8657 124.4772 54.7638 41.9892 173.0141 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 8 K 8.30 3.79 0.00 1.73 1.82 0.00 0.90 0.00 0.00 0.98 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.18 7.81 9 V 7.26 2.82 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 0.64 0.00 0.00 0.92 0.00 0.00 10 Y 8.28 4.26 0.00 3.07 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 11 D 8.74 4.57 0.00 2.64 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 12 L 8.25 4.71 0.00 1.80 1.80 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.04 4.07 0.00 3.75 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 14 F 7.15 4.36 0.00 2.31 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 15 F 7.44 4.63 0.00 3.13 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 *17 P 0.00 4.45 0.00 2.21 2.24 0.00 3.79 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 1.90 1.99 0.00 18 G 7.95 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 19 Q 7.30 4.59 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 20 T 7.74 3.75 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 1.35 0.00 0.00 21 I 8.33 3.59 1.86 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 1.28 0.51 0.90 0.00 0.00 22 D 8.31 4.74 0.00 2.63 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 23 A 8.63 4.19 1.25 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 24 E 7.54 4.14 0.00 2.33 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 2.37 2.45 0.00 25 E 8.46 4.64 0.00 2.09 2.21 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 2.14 2.07 0.00 26 V 8.85 4.32 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 0.95 0.00 0.00 0.95 0.00 0.00 27 E 8.86 5.17 0.00 1.98 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 2.40 2.38 0.00 28 V 9.57 4.48 2.45 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 0.98 0.00 0.00 0.91 0.00 0.00 29 P 0.00 4.94 0.00 2.30 2.27 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 30 I 7.78 3.92 0.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.64 0.00 0.00 31 S 7.43 4.47 0.00 3.62 3.17 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 32 K 8.38 4.33 0.00 1.72 1.80 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 R 7.48 3.96 0.00 1.13 1.75 0.00 3.02 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.40 0.00 34 F 7.33 5.09 0.00 3.27 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 35 V 8.23 5.00 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 0.95 0.00 0.00 0.99 0.00 0.00 36 D 8.54 4.88 0.00 2.94 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 37 K 8.69 3.79 0.00 1.90 2.04 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.51 7.81 38 E 8.71 4.36 0.00 2.18 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 2.29 2.26 0.00 39 G 8.34 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 40 N 7.65 4.74 0.00 2.99 2.78 0.00 0.00 6.60 7.56 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 41 V 8.29 4.03 2.15 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 0.93 0.00 0.00 0.96 0.00 0.00 42 V 8.69 4.45 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 1.03 0.00 0.00 1.09 0.00 0.00 43 P 0.00 4.88 0.00 2.37 2.18 0.00 3.96 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 44 F 9.94 4.69 0.00 3.29 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 45 I 8.89 4.99 1.94 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 1.35 0.85 0.98 0.00 0.00 46 F 9.43 5.34 0.00 2.92 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 47 K 9.53 5.50 0.00 1.83 1.66 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.35 7.81 48 A 9.63 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 4.31 1.91 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 1.54 0.75 0.95 0.00 0.00 50 T 8.00 4.42 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 51 T 8.28 3.96 4.28 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 1.28 0.00 0.00 52 D 8.17 4.42 0.00 2.71 2.76 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 53 R 8.11 4.00 0.00 1.98 2.13 0.00 3.20 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 54 I 8.02 3.98 2.20 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.61 1.19 0.00 0.00 55 D 8.04 4.36 0.00 3.04 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 56 E 8.22 4.06 0.00 2.08 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 2.36 2.58 0.00 57 L 7.88 4.10 0.00 2.08 2.04 1.03 1.01 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 58 E 8.25 3.20 0.00 1.94 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 1.74 1.47 0.00 59 K 7.84 3.82 0.00 1.84 2.06 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.31 7.81 60 E 8.24 4.06 0.00 2.32 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 2.36 2.39 0.00 61 N 8.14 5.04 0.00 2.68 2.83 0.00 0.00 6.35 6.67 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 62 T 7.42 4.97 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 1.07 0.00 0.00 63 T 9.63 4.06 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 1.19 0.00 0.00 *75 E 7.81 3.90 0.00 2.06 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 2.25 2.34 0.00 76 L 8.12 4.70 0.00 1.41 1.37 0.36 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 77 D 9.11 4.58 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 3.83 0.00 3.93 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 79 Q 8.22 4.12 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 80 R 8.38 3.94 0.00 2.19 2.16 0.00 3.28 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 81 F 8.37 4.27 0.00 2.91 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 82 Y 8.29 4.01 0.00 2.98 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 83 A 8.10 4.02 1.62 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 84 R 8.31 3.99 0.00 1.97 2.07 0.00 3.39 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 85 I 7.61 3.62 1.87 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 0.87 0.00 0.00 86 A 7.94 3.66 0.08 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 87 V 8.05 4.11 2.44 0.00 0.00 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 1.44 0.00 0.00 88 E 8.10 4.20 0.00 2.05 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 0.00 2.39 2.42 0.00 89 T 8.36 4.59 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 90 T 7.27 4.40 4.38 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 0.74 0.00 0.00 91 V 8.65 3.63 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 0.70 0.00 0.00 0.94 0.00 0.00 92 Y 7.30 4.44 0.00 2.80 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 93 P 0.00 4.10 0.00 1.45 1.00 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 0.49 0.74 0.00 94 T 7.78 4.06 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 1.13 0.00 0.00 95 F 8.16 4.65 0.00 3.14 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 96 K 7.55 4.25 0.00 1.81 1.89 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.45 7.81 97 A 7.95 4.02 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 98 K 8.81 3.80 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.58 7.81 99 E 8.17 3.94 0.00 2.08 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 0.00 2.39 2.41 0.00 100 L 7.89 4.25 0.00 1.93 1.80 0.95 1.12 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 0.00 101 R 8.22 4.21 0.00 2.02 2.20 0.00 3.38 0.00 0.00 3.43 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 102 E 8.69 3.96 0.00 2.13 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 0.00 2.45 2.49 0.00 103 A 8.04 3.84 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 0.00 104 Y 8.09 4.15 0.00 3.17 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 0.00 105 K 7.90 3.84 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.57 7.81 106 T 7.95 4.45 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 0.00 107 E 8.79 4.23 0.00 2.01 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 2.30 2.25 0.00 108 D 7.86 4.62 0.00 2.83 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 0.00 109 P 0.00 4.47 0.00 2.31 2.22 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 110 V 7.92 3.78 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 1.14 0.00 0.00 1.08 0.00 0.00 111 E 7.94 3.87 0.00 2.09 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 2.35 2.38 0.00 112 V 8.02 3.29 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 0.88 0.00 0.00 0.99 0.00 0.00 113 A 7.27 2.00 0.56 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 0.00 0.00 114 K 7.38 3.78 0.00 1.66 1.59 0.00 1.69 0.00 0.00 1.45 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.48 1.28 7.81 115 R 7.77 4.02 0.00 1.47 2.09 0.00 3.20 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 116 V 7.17 3.54 1.66 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 0.79 0.00 0.00 0.32 0.00 0.00 117 L 7.95 4.62 0.00 1.89 1.73 0.42 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.75 4.34 0.00 3.98 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 0.00 119 V 7.57 4.17 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 0.95 0.00 0.00 0.91 0.00 0.00 120 G 8.62 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 0.00 0.00 0.00 121 G 8.25 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 0.00 122 E 8.28 3.98 0.00 2.23 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 2.27 2.30 0.00 123 Y 8.16 4.12 0.00 3.33 3.24 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 0.00 124 A 8.38 4.10 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 0.00 125 N 8.60 4.31 0.00 2.97 2.88 0.00 0.00 6.64 8.39 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 0.00 126 W 8.67 4.32 0.00 3.34 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 0.00 127 L 7.80 3.28 0.00 1.77 1.49 1.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.99 4.17 0.00 2.65 2.76 0.00 0.00 6.74 7.75 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 0.00 129 K 8.14 3.60 0.00 1.66 1.45 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.61 7.81 130 A 7.65 3.93 1.14 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 0.00 131 I 7.55 3.65 1.84 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 1.42 1.06 0.78 0.00 0.00 132 E 8.21 3.86 0.00 1.96 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 2.20 2.27 0.00 133 I 8.05 3.74 1.96 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 1.40 0.59 0.96 0.00 0.00 134 N 7.53 4.79 0.00 2.88 2.75 0.00 0.00 6.98 8.06 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 0.00 135 G 7.64 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 0.00 136 F 7.56 4.34 0.00 3.19 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 0.00 137 D 8.87 4.72 0.00 2.80 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 * Residues marked with a * may have inaccurate shift predictions.