NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-2 Y 4.4669 8.1449 119.0891 56.5421 37.6877 173.9329 -1 F 4.7453 8.3824 124.4476 52.6788 41.6441 174.3468 0 Q 4.4015 8.5598 123.8897 55.7231 30.4709 174.1176 1 S 4.8621 8.2213 112.1071 57.0727 66.3540 173.0959 2 M 4.9309 8.3365 114.6939 55.3442 31.7449 178.0971 3 N 4.4846 8.2570 120.4842 56.8837 38.8576 177.7012 4 K 4.1055 8.0576 116.2823 59.2540 32.7793 177.8745 5 F 4.5582 8.1720 117.4005 58.9237 39.3150 176.1328 6 L 4.3479 7.7301 121.5688 54.4636 42.0830 177.4586 7 G 3.7102 7.6530 109.4308 44.3492 0.0000 171.1689 8 T 4.9615 7.8036 116.3175 61.5050 71.2295 173.7877 9 W 5.3750 9.4131 126.1036 54.7278 32.9190 174.1229 10 K 5.1626 9.3138 126.1352 54.1639 34.2358 174.9826 11 L 3.6641 8.6986 130.1042 55.5819 41.8264 176.8274 12 V 4.3791 8.8240 118.7096 61.5726 34.1623 175.7897 13 S 4.6132 7.4601 113.7144 57.0448 65.8877 172.8332 14 S 4.8849 8.3841 119.5824 56.7062 65.5356 172.4838 15 E 4.4786 8.9431 127.6465 54.9607 32.9718 175.1136 16 N 4.3341 9.0975 123.4541 54.8924 37.6829 175.5345 17 F 4.6280 8.2974 120.8684 60.6990 39.3001 176.2017 18 D 4.2326 8.2040 117.4331 57.6470 41.1323 178.0048 19 D 4.3404 8.1017 118.7369 57.2300 40.9737 178.0349 20 Y 4.1153 7.9996 119.8510 60.9407 38.8476 177.8713 21 M 3.6954 8.1794 119.9999 58.1030 31.9791 178.6580 22 K 3.7915 8.1677 118.6148 59.7122 32.0920 179.2574 23 A 4.0089 7.6693 119.0842 54.8077 18.3285 179.1270 24 L 4.2540 7.2750 115.8442 55.9207 41.7634 178.0957 25 G 3.9744 7.7939 107.0945 45.0905 0.0000 173.6828 26 V 3.6963 7.4201 119.3526 62.1787 32.1713 176.9370 27 G 3.9404 8.3474 113.0369 43.5702 0.0000 174.6169 28 L 3.9080 8.3322 121.3243 58.2121 41.9748 179.0491 29 A 3.9460 7.9357 120.0667 55.3754 18.2592 179.6071 30 T 3.9154 7.8128 113.9337 66.6739 68.7208 177.1831 31 R 3.8919 8.1779 120.1505 59.0354 29.8370 179.0472 32 K 3.8618 7.9705 117.4423 59.7130 32.3023 179.0480 33 L 4.0447 7.5242 119.1508 57.4506 41.4619 179.7542 34 G 3.8942 8.4574 106.1873 48.1555 0.0000 175.5664 35 N 4.6879 8.7067 118.0399 55.6241 38.5973 176.8658 36 L 4.2523 7.5362 118.5517 55.1496 42.4103 177.2563 37 A 4.2747 7.2590 121.6579 52.1831 18.9858 177.8151 38 K 4.5160 8.1379 120.1413 53.7607 32.6953 174.2797 39 P 4.8455 0.0000 0.0000 62.6783 33.5818 174.9843 40 T 5.2837 8.8052 117.9480 62.0655 71.2181 173.9718 41 V 4.8983 9.2359 125.4038 61.1660 34.8047 174.0400 42 I 5.0544 9.3002 128.9095 59.7252 39.9177 174.4147 43 I 5.0957 8.9074 128.8452 59.6348 39.4940 175.2001 44 S 5.1409 9.0515 120.9640 56.8378 67.3755 172.7555 45 K 4.7986 8.5015 122.6041 55.7814 35.1291 175.7077 46 K 4.4455 9.1569 129.7224 53.2282 34.4737 173.1556 47 G 3.7385 8.2181 116.2819 46.3283 0.0000 174.7666 48 D 4.4407 8.8028 124.1517 55.1100 41.1698 175.5462 49 I 4.3165 7.7251 121.9878 59.8949 38.7908 174.7288 50 I 4.5230 8.3019 128.6825 59.9835 39.1895 174.9618 51 T 4.8823 8.5730 122.5248 61.6718 72.2966 173.0781 52 I 4.8118 8.8083 126.4395 59.7181 40.1732 174.2780 53 R 5.0255 9.2618 128.8243 54.7935 32.3380 174.6491 54 T 5.1185 9.0089 123.4040 61.8857 71.3661 173.1696 55 E 5.3228 9.5208 125.7403 54.6355 32.9150 175.2104 56 S 4.9573 8.8513 117.4990 57.2893 66.2210 174.6099 57 T 4.0463 8.7335 116.9710 66.8701 68.5167 176.1252 58 F 4.7065 8.4205 121.9466 60.6772 39.6620 175.3379 59 K 4.4602 8.1990 117.9165 54.8385 35.9409 175.1270 60 N 5.3659 8.6094 120.8267 51.9494 40.7116 174.2628 61 T 4.8227 8.9501 111.8824 60.3349 72.9787 172.3453 62 E 5.2906 8.5742 122.5715 55.0615 32.8234 174.0541 63 I 4.8322 8.7384 119.6955 59.2387 41.0953 174.4016 64 S 5.0441 8.4920 119.8393 56.8565 66.1777 173.0583 65 F 4.6162 8.2459 117.8809 55.9818 41.4823 172.7689 66 K 4.9669 8.4393 118.2074 54.1774 34.7369 176.2755 67 L 4.2069 8.6300 123.3690 56.7449 41.9522 177.8445 68 G 3.9360 9.1570 110.9077 45.7457 0.0000 172.9371 69 Q 4.6196 7.6862 118.5832 53.2906 30.7358 175.2016 70 E 4.4999 8.8722 124.6925 56.6561 30.4183 175.6563 71 F 5.1578 8.9057 120.3294 55.3247 42.1437 173.0221 72 E 4.8700 8.8778 118.9112 55.5020 30.9278 175.5532 73 E 4.7625 8.9315 123.7105 54.8243 33.5260 174.0505 74 T 5.0236 8.5755 123.3243 62.2119 70.0359 174.9186 75 T 4.2287 8.6866 117.5739 60.0804 70.2506 175.5540 76 A 4.0381 8.5275 124.6579 54.9360 18.2910 178.0734 77 D 4.6281 7.8974 112.9248 52.7244 39.6281 175.5973 78 N 4.1266 8.0920 116.2642 55.1391 37.8248 174.3950 79 R 4.0813 7.6247 114.5739 55.0234 31.1645 176.1225 80 K 4.9578 8.3499 120.6516 55.1840 33.6931 175.4819 81 T 4.8921 9.0379 115.7117 59.6554 72.6139 173.0641 82 K 4.8107 9.1521 122.3856 55.3156 33.8223 176.0830 83 S 5.0383 8.5955 120.7058 56.7052 67.2277 173.2197 84 I 4.9296 8.4192 122.1308 59.7721 41.6705 174.1447 85 V 4.8384 8.5116 126.1494 61.3190 33.8097 174.3837 86 T 5.0561 9.2935 117.1419 59.7349 72.8945 172.3526 87 L 4.9571 8.5045 123.1645 53.5669 44.4675 175.9101 88 Q 4.3400 9.0984 126.6222 54.5808 30.6163 175.4893 89 R 3.7445 9.6086 124.2657 57.1825 27.2318 177.5833 90 G 4.0074 8.3897 102.2126 45.5109 0.0000 171.7023 91 S 4.9515 7.8462 115.4827 56.3083 64.9768 172.5323 92 L 4.7004 8.8159 130.4756 54.1486 42.9201 174.6575 93 N 5.3143 9.3936 125.5602 51.4291 41.3686 173.5880 94 Q 4.8658 9.4012 125.8261 54.2267 31.6867 174.0742 95 V 4.8574 8.7781 126.9069 61.2102 34.3618 174.0741 96 Q 5.0902 9.1496 126.5506 54.1870 31.7289 174.6832 97 R 5.4724 9.0186 123.2845 54.2782 34.0008 174.7625 98 W 4.8015 9.0215 117.3140 56.2638 31.9146 174.0166 99 D 4.3034 9.7332 121.7302 55.3942 39.0441 174.0486 100 G 3.7447 8.2382 101.9876 45.4995 0.0000 173.9348 101 K 4.1966 7.2959 119.2118 54.1442 34.5625 174.5395 102 E 5.2594 7.7222 119.7226 55.2397 32.6275 174.0251 103 T 5.2233 9.4403 120.1284 60.7019 71.6940 172.3345 104 T 5.1824 8.8714 115.9431 59.9607 72.4873 172.7626 105 I 4.8663 9.0552 124.6119 59.6602 40.7124 174.3479 106 K 4.9410 8.9730 127.4245 54.6455 34.4896 175.5205 107 R 5.2095 8.9771 124.9822 54.2221 32.7980 175.3318 108 K 5.2202 9.0788 122.0950 55.3565 36.8906 174.7956 109 L 4.9346 8.3520 120.5725 53.2294 43.3930 176.5397 110 V 4.1775 8.7754 123.1100 61.9417 33.7637 175.1118 111 N 4.2248 10.0189 126.8542 54.3867 36.0470 175.6209 112 G 4.0606 8.3446 104.7458 45.3774 0.0000 173.9496 113 K 4.8132 8.0913 119.8181 55.7082 34.4862 175.2041 114 M 4.6552 8.7644 123.0450 54.0027 34.1094 174.6904 115 V 4.8528 9.0323 126.2505 61.0996 34.2822 173.7902 116 A 5.0784 9.2704 130.5934 50.3133 21.2012 174.6715 117 E 4.7960 9.3739 124.9152 54.9201 31.7725 174.3364 118 C 4.9750 9.1532 125.4558 57.7879 30.6957 172.7876 119 K 5.1974 9.0455 125.7590 54.7998 35.1511 174.7000 120 M 4.7865 9.2986 126.8639 54.1430 35.2532 174.6763 121 K 3.5818 9.6823 126.9266 58.1476 31.2429 175.3111 122 G 3.8645 7.8708 103.5870 46.4514 0.0000 171.9183 123 V 4.1216 7.9700 121.3444 61.4750 32.3546 174.4838 124 V 4.9669 8.3856 126.7558 61.1947 33.9769 173.8694 125 C 5.1158 9.0732 128.0204 57.8596 34.6418 172.3990 126 T 5.0679 8.7200 121.6903 61.8056 71.6045 173.1305 127 R 4.8824 8.9945 124.7558 54.3789 33.8544 174.3284 128 I 4.9386 8.7685 124.8143 59.7196 40.0476 174.3139 129 Y 5.4031 9.3521 124.0266 56.1061 41.6756 174.3820 130 E 5.3147 9.1913 120.4348 54.2316 32.8877 175.1194 131 K 3.8304 8.6341 123.3566 56.2828 33.0858 176.7255 132 V 3.8955 8.4049 126.5126 63.0533 31.0618 175.4626 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 *-2 Y 8.14 4.47 0.00 2.35 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 0.00 0.00 0.00 -1 F 8.38 4.75 0.00 3.09 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 0 Q 8.56 4.40 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 1 S 8.22 4.86 0.00 3.99 3.90 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 2 M 8.34 4.93 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 3 N 8.26 4.48 0.00 2.86 2.95 0.00 0.00 6.81 6.90 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 4 K 8.06 4.11 0.00 1.72 1.90 0.00 1.37 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 0.81 7.81 5 F 8.17 4.56 0.00 3.33 3.19 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 6 L 7.73 4.35 0.00 1.82 1.67 1.02 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 7 G 7.65 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.80 4.96 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 1.20 0.00 0.00 9 W 9.41 5.37 0.00 3.22 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 10 K 9.31 5.16 0.00 1.91 1.73 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.44 7.81 11 L 8.70 3.66 0.00 1.39 1.43 0.27 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.82 4.38 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 0.75 0.00 0.00 0.96 0.00 0.00 13 S 7.46 4.61 0.00 3.80 3.56 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 14 S 8.38 4.88 0.00 3.64 3.58 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 15 E 8.94 4.48 0.00 1.98 1.72 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 2.21 2.37 0.00 16 N 9.10 4.33 0.00 3.06 3.03 0.00 0.00 6.85 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 17 F 8.30 4.63 0.00 3.09 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 18 D 8.20 4.23 0.00 2.87 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 19 D 8.10 4.34 0.00 2.91 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 20 Y 8.00 4.12 0.00 3.16 3.18 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 21 M 8.18 3.70 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.07 0.00 22 K 8.17 3.79 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 23 A 7.67 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 24 L 7.28 4.25 0.00 1.62 1.55 0.55 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.79 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 0.00 0.00 0.00 26 V 7.42 3.70 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 0.76 0.00 0.00 0.86 0.00 0.00 27 G 8.35 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 0.00 0.00 0.00 28 L 8.33 3.91 0.00 1.75 1.67 0.91 0.93 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 29 A 7.94 3.95 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 30 T 7.81 3.92 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 1.47 0.00 0.00 31 R 8.18 3.89 0.00 1.97 2.09 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.86 0.00 32 K 7.97 3.86 0.00 1.82 1.83 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 33 L 7.52 4.04 0.00 0.79 0.76 0.28 0.69 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 34 G 8.46 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 35 N 8.71 4.69 0.00 2.86 2.97 0.00 0.00 7.10 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 36 L 7.54 4.25 0.00 1.71 1.72 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.26 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 4.52 0.00 1.72 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.41 7.81 39 P 0.00 4.85 0.00 2.23 2.14 0.00 3.56 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 2.18 2.20 0.00 40 T 8.81 5.28 4.31 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 1.32 0.00 0.00 41 V 9.24 4.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.86 0.00 0.00 42 I 9.30 5.05 1.90 0.00 0.00 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 1.25 0.42 0.93 0.00 0.00 43 I 8.91 5.10 2.29 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 1.32 0.81 0.98 0.00 0.00 44 S 9.05 5.14 0.00 3.79 3.92 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 0.00 0.00 0.00 45 K 8.50 4.80 0.00 1.68 1.65 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.48 7.81 46 K 9.16 4.45 0.00 1.65 1.65 0.00 2.02 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.21 7.81 47 G 8.22 3.74 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 0.00 0.00 0.00 48 D 8.80 4.44 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 49 I 7.73 4.32 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 1.13 0.64 0.73 0.00 0.00 50 I 8.30 4.52 0.56 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 1.05 0.48 0.66 0.00 0.00 51 T 8.57 4.88 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 1.19 0.00 0.00 52 I 8.81 4.81 2.00 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 1.17 1.34 0.93 0.00 0.00 53 R 9.26 5.03 0.00 1.82 1.78 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 54 T 9.01 5.12 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 1.33 0.00 0.00 55 E 9.52 5.32 0.00 1.86 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 0.00 2.23 2.24 0.00 56 S 8.85 4.96 0.00 3.94 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 57 T 8.73 4.05 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 58 F 8.42 4.71 0.00 2.86 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 59 K 8.20 4.46 0.00 1.59 1.49 0.00 1.54 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.30 0.97 7.81 60 N 8.61 5.37 0.00 2.58 2.72 0.00 0.00 6.82 7.54 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 61 T 8.95 4.82 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 62 E 8.57 5.29 0.00 1.96 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 2.19 2.31 0.00 63 I 8.74 4.83 2.08 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 1.14 0.00 0.00 64 S 8.49 5.04 0.00 3.64 3.61 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 65 F 8.25 4.62 0.00 2.61 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 0.00 0.00 0.00 0.00 66 K 8.44 4.97 0.00 1.75 1.74 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.41 7.81 67 L 8.63 4.21 0.00 1.67 1.68 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 G 9.16 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 0.00 0.00 0.00 69 Q 7.69 4.62 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 70 E 8.87 4.50 0.00 1.99 1.88 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 2.23 2.34 0.00 71 F 8.91 5.16 0.00 3.09 3.07 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 72 E 8.88 4.87 0.00 1.93 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 2.27 2.33 0.00 73 E 8.93 4.76 0.00 1.94 1.55 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 2.16 2.36 0.00 74 T 8.58 5.02 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 75 T 8.69 4.23 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 1.00 0.00 0.00 76 A 8.53 4.04 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 77 D 7.90 4.63 0.00 2.71 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 78 N 8.09 4.13 0.00 2.74 2.86 0.00 0.00 7.07 7.52 0.00 0.00 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 R 7.62 4.08 0.00 1.41 1.13 0.00 2.21 0.00 0.00 2.60 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 0.00 80 K 8.35 4.96 0.00 1.60 1.73 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.32 7.81 81 T 9.04 4.89 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 0.85 0.00 0.00 82 K 9.15 4.81 0.00 1.65 1.70 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 83 S 8.60 5.04 0.00 2.72 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 84 I 8.42 4.93 1.84 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 1.09 0.71 0.94 0.00 0.00 85 V 8.51 4.84 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 1.07 0.00 0.00 0.15 0.00 0.00 86 T 9.29 5.06 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 87 L 8.50 4.96 0.00 1.64 1.62 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.10 4.34 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 5.99 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 89 R 9.61 3.74 0.00 1.93 1.96 0.00 3.28 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 90 G 8.39 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.85 4.95 0.00 3.97 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 92 L 8.82 4.70 0.00 0.87 0.84 0.86 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 93 N 9.39 5.31 0.00 2.59 2.66 0.00 0.00 6.10 7.60 0.00 0.00 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 Q 9.40 4.87 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 95 V 8.78 4.86 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 0.98 0.00 0.00 0.93 0.00 0.00 96 Q 9.15 5.09 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 97 R 9.02 5.47 0.00 1.70 1.77 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 98 W 9.02 4.80 0.00 3.37 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 99 D 9.73 4.30 0.00 2.83 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 0.00 0.00 0.00 0.00 100 G 8.24 3.74 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 0.00 0.00 0.00 101 K 7.30 4.20 0.00 0.79 0.86 0.00 1.28 0.00 0.00 1.34 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.95 0.91 7.81 102 E 7.72 5.26 0.00 1.83 1.68 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 2.22 2.24 0.00 103 T 9.44 5.22 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 104 T 8.87 5.18 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 1.29 0.00 0.00 105 I 9.06 4.87 1.85 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 1.22 0.97 0.87 0.00 0.00 106 K 8.97 4.94 0.00 1.66 1.74 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.37 7.81 107 R 8.98 5.21 0.00 1.46 1.72 0.00 2.87 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 108 K 9.08 5.22 0.00 1.82 1.91 0.00 1.31 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 109 L 8.35 4.93 0.00 1.36 1.52 0.50 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.78 4.18 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 1.09 0.00 0.00 0.93 0.00 0.00 111 N 10.02 4.22 0.00 2.84 2.84 0.00 0.00 7.26 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 0.00 112 G 8.34 4.06 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 0.00 0.00 0.00 113 K 8.09 4.81 0.00 1.83 1.94 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 114 M 8.76 4.66 0.00 1.25 0.57 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 115 V 9.03 4.85 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 0.90 0.00 0.00 0.94 0.00 0.00 116 A 9.27 5.08 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 0.00 117 E 9.37 4.80 0.00 1.98 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 2.18 2.24 0.00 118 C 9.15 4.98 0.00 1.96 1.49 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 0.00 119 K 9.05 5.20 0.00 1.90 1.66 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.31 1.21 7.81 120 M 9.30 4.79 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 121 K 9.68 3.58 0.00 1.98 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.43 7.81 122 G 7.87 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 0.00 123 V 7.97 4.12 2.35 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 1.11 0.00 0.00 0.98 0.00 0.00 124 V 8.39 4.97 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 0.88 0.00 0.00 0.96 0.00 0.00 125 C 9.07 5.12 0.00 3.24 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 0.00 126 T 8.72 5.07 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 0.00 127 R 8.99 4.88 0.00 1.67 1.55 0.00 2.50 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 128 I 8.77 4.94 1.81 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 1.22 0.89 0.93 0.00 0.00 129 Y 9.35 5.40 0.00 2.90 3.08 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 0.00 130 E 9.19 5.31 0.00 2.09 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 2.26 2.27 0.00 131 K 8.63 3.83 0.00 1.34 1.43 0.00 1.11 0.00 0.00 1.29 0.00 0.00 2.54 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.78 0.21 7.81 132 V 8.40 3.90 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 0.72 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.