NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2038 8.3331 121.7018 55.5538 30.0445 174.4961 3 G 3.5290 8.5448 113.5117 45.9071 0.0000 171.0060 4 R 4.7228 8.8288 122.7710 54.0920 35.4567 172.4799 5 V 4.9927 8.1709 119.7744 61.2904 33.7439 175.2275 6 N 4.9308 9.4274 125.9298 51.5352 38.8450 175.8362 7 Q 3.9795 8.6509 116.9034 59.2048 28.6362 178.2443 8 L 4.2113 8.0113 114.4206 54.9629 41.9432 177.1368 9 G 3.8709 8.6267 107.5576 45.7500 0.0000 173.3322 10 G 4.4236 8.6955 106.9320 43.5796 0.0000 174.0924 11 V 4.7947 8.4066 124.0181 62.5586 32.7238 174.8818 12 F 4.9478 8.8537 120.3092 56.1404 41.7616 172.7038 13 I 4.5080 8.2085 120.6407 59.1608 39.3718 174.8553 14 N 4.6281 8.5960 126.7629 54.9636 39.3601 173.3241 15 G 4.1452 9.3129 113.2035 45.4137 0.0000 173.6846 16 R 4.5487 7.1491 116.7531 53.8092 31.8704 174.4251 17 P 4.5728 0.0000 0.0000 61.8457 32.1474 176.6590 18 L 4.1846 8.1705 120.1018 54.0433 42.3224 176.3891 19 P 4.4428 0.0000 0.0000 62.5619 33.2542 177.2905 20 N 4.3345 8.6791 118.0310 56.7916 39.0218 176.7575 21 N 4.3121 8.1942 118.0897 56.1906 37.1922 177.1802 22 I 3.7315 7.6311 121.4270 64.0225 37.2611 178.2738 23 R 3.8810 7.7364 118.5463 59.2994 29.9261 178.8157 24 L 3.8836 8.2309 120.3282 58.1749 42.0439 179.2360 25 K 4.0027 7.8583 117.9521 59.2599 31.9244 179.4073 26 I 3.6558 7.8352 120.2654 64.4680 37.0533 178.6913 27 V 3.4574 7.4768 118.7718 65.7189 31.0165 177.9122 28 E 3.9233 7.8343 117.6626 59.7054 29.6301 178.9297 29 M 4.1752 8.0695 118.4386 58.2984 32.0164 178.6676 30 A 3.9879 8.0145 120.7419 55.1618 18.3524 179.5773 31 A 4.0758 7.9626 118.0270 54.8144 18.5127 178.6522 32 D 4.6135 7.8288 115.4391 54.5713 41.1875 177.3969 33 G 3.9391 7.8868 108.1388 45.2759 0.0000 173.7611 34 I 3.9227 7.3420 120.3005 60.4591 38.0255 175.9881 35 R 4.0949 8.3992 125.0753 55.4148 31.0104 175.1913 36 P 4.2863 0.0000 0.0000 66.1514 31.4046 178.7037 37 C 4.1653 8.0279 112.5414 61.2299 29.4477 176.0404 38 V 3.6375 7.8295 120.8500 65.7428 31.0368 178.0804 39 I 3.7088 7.6965 119.2298 64.1818 36.8704 178.0911 40 S 4.1548 8.1619 113.9520 61.7356 62.0931 176.6254 41 R 3.9304 7.6544 118.8508 58.9286 29.8199 178.7079 42 Q 4.0611 8.2313 119.2410 59.3462 29.3142 177.9818 43 L 4.1240 8.0265 118.4412 55.1454 42.1629 177.0881 44 R 3.8867 8.3762 117.4281 57.3672 27.5713 175.6974 45 V 4.4538 7.5655 115.9041 60.4612 33.8903 175.1968 46 S 4.2213 8.2846 120.6204 58.4040 63.4938 175.0971 47 H 4.3369 8.8886 119.3429 58.7455 28.2194 178.0828 48 G 3.4559 7.6868 108.2460 47.6003 0.0000 175.2042 49 C 4.0806 7.9282 121.0261 62.1955 31.6532 175.6533 50 V 3.5501 7.7333 119.4124 66.0476 31.0241 177.6759 51 S 4.0766 8.2453 112.8470 61.2124 62.2503 175.9361 52 K 3.8850 7.8773 121.8683 59.8419 32.0653 178.8097 53 I 3.7604 7.9213 119.9708 64.2816 36.8114 178.5708 54 L 4.0672 8.0538 119.9988 57.8052 41.5032 179.0020 55 N 4.3479 8.6240 117.5114 56.5866 38.7794 176.9713 56 R 3.9761 8.2651 120.3732 59.3588 30.1794 177.8408 57 Y 4.3338 8.1262 119.3902 60.5118 38.4909 177.9291 58 Q 3.8769 7.6115 118.7676 58.7804 28.9430 178.0891 59 E 4.0654 7.9587 118.7205 59.5814 29.7840 179.0560 60 T 4.2170 8.1480 108.4594 61.8975 69.2856 175.5820 61 G 4.0195 7.8747 108.3860 46.2228 0.0000 172.8290 62 S 4.8941 7.7148 112.0639 56.1633 65.5367 174.1675 63 I 3.9805 8.5342 126.4284 63.8021 37.4132 177.1060 64 R 3.9329 7.4182 119.1080 55.9046 30.2360 174.3002 65 P 4.5546 0.0000 0.0000 61.6345 32.4044 175.7492 66 G 3.7543 8.2544 107.9423 45.2353 0.0000 173.2299 67 V 3.8276 8.1351 119.6002 62.2514 31.8086 175.3191 68 I 4.2700 8.2515 128.1318 60.5689 38.8460 175.6699 69 G 3.8729 9.2257 114.1077 45.0684 0.0000 173.3079 70 G 3.9452 8.8573 107.4181 45.5815 0.0000 173.7141 71 S 4.7645 8.1545 117.4103 55.9346 64.7509 175.6290 72 K 4.0154 8.7261 128.9343 53.7058 31.9368 173.5150 73 P 4.2917 0.0000 0.0000 62.0999 30.7736 174.6411 74 R 4.4730 8.4010 126.3860 54.4421 29.1693 176.6536 75 I 3.8632 8.1210 120.1500 61.8173 36.5488 176.4944 76 A 4.5752 7.7151 126.8226 51.6023 17.5872 177.0016 77 T 4.1486 7.3322 116.3994 60.4145 70.1887 173.9488 78 P 4.3164 0.0000 0.0000 61.2284 30.5956 174.6560 79 E 4.2290 8.7232 111.2614 59.1959 29.6269 178.3422 80 I 3.7392 7.7980 124.2682 65.3995 37.2883 178.1314 81 E 3.9663 7.7312 118.6141 61.3599 29.4648 180.6354 82 N 4.5319 7.9946 117.4566 56.4732 38.8422 176.8693 83 R 3.9455 7.6613 119.4129 59.2893 30.3067 178.2390 84 I 3.8744 7.9830 120.2961 64.1403 37.1995 178.2001 85 E 3.9760 8.1871 118.5625 59.2388 29.3410 178.7074 86 E 4.1893 8.1003 121.6516 59.0258 29.8455 177.3545 *87 Y 4.4369 7.4707 121.4221 59.1897 37.8969 181.7974 88 K 4.4437 7.5307 121.6968 59.2430 33.4343 178.5854 89 R 4.1721 7.9350 120.4249 59.1927 29.9627 183.8371 90 S 4.1517 8.4673 115.5609 60.9517 63.3927 182.8855 91 S 2.9467 7.9406 114.9293 58.8227 63.9786 174.0791 92 P 4.5410 0.0000 0.0000 63.5932 31.7008 178.7902 93 G 3.9225 8.7839 112.4602 44.6169 0.0000 172.9489 94 M 4.2870 7.2872 117.7275 55.0649 31.3985 176.3888 95 F 4.1299 8.9643 125.6814 56.8750 40.9343 176.3748 96 S 4.0880 8.6250 114.8079 61.4802 62.2460 176.5454 97 W 4.2951 8.2902 118.9473 59.5632 27.8925 177.9436 98 E 3.1447 6.9114 118.9450 58.8417 28.7980 179.0448 99 I 3.6026 7.4627 119.6257 64.4286 37.3543 178.3040 100 R 3.9334 7.7317 119.4965 59.6292 29.7531 178.4423 101 E 4.1308 8.1033 118.1593 59.2870 28.9870 179.2316 102 K 4.0118 8.1026 119.6536 59.1549 32.1883 178.6407 103 L 4.0543 8.0023 120.8796 57.6305 41.7862 179.0577 104 I 4.1962 7.5255 120.5477 63.6603 37.1397 178.2598 105 R 4.1187 7.5963 114.0189 58.2391 29.4639 177.7981 106 E 4.2070 7.6435 118.2551 57.5583 29.7407 177.0435 107 G 4.1579 7.8395 106.6016 45.6780 0.0000 175.4962 108 V 3.7366 7.8212 118.5504 63.9282 31.6762 175.7970 109 C 4.8050 8.1207 118.9726 57.2336 34.4670 172.3328 110 D 4.9611 7.9767 123.2746 52.5052 42.6396 177.7843 111 R 4.0656 8.2199 120.7737 59.2411 30.1590 178.7690 112 S 4.2831 8.3532 111.5935 60.6348 62.5852 174.3140 113 T 4.5300 7.2493 109.2770 61.1892 69.0806 173.9540 114 A 4.5377 7.8201 124.5563 51.1648 20.2179 176.4913 115 P 4.4681 0.0000 0.0000 62.0157 32.3967 177.3605 116 S 4.3939 8.4009 116.5636 58.3615 65.1682 175.9684 117 V 3.7293 8.3987 116.5330 64.4896 31.3015 178.9348 118 S 4.0970 8.0816 112.5112 61.3292 62.3842 175.8194 119 A 4.0312 8.0784 123.4938 55.3248 18.0258 179.7155 120 I 3.7206 7.9784 118.3016 64.5009 36.8831 178.8643 121 S 4.1966 8.0685 117.9361 62.2420 62.7169 177.2476 122 R 4.1088 7.7523 122.4492 61.3981 29.2272 180.5927 123 L 4.4265 8.0494 121.1106 57.4897 41.7471 178.7613 124 V 4.0618 7.9738 123.6917 63.0020 31.8915 179.1704 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 Q 8.33 4.20 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.36 0.00 3 G 8.54 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 0.00 0.00 0.00 4 R 8.83 4.72 0.00 0.67 1.49 0.00 2.94 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.42 0.00 5 V 8.17 4.99 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 0.89 0.00 0.00 0.93 0.00 0.00 6 N 9.43 4.93 0.00 2.85 2.74 0.00 0.00 6.63 7.00 0.00 0.00 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 Q 8.65 3.98 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 8 L 8.01 4.21 0.00 1.72 1.71 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.63 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 10 G 8.70 4.42 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 0.00 11 V 8.41 4.79 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 0.86 0.00 0.00 0.95 0.00 0.00 12 F 8.85 4.95 0.00 3.10 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 13 I 8.21 4.51 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 1.16 1.46 0.88 0.00 0.00 14 N 8.60 4.63 0.00 2.75 2.77 0.00 0.00 7.53 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 15 G 9.31 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 0.00 0.00 0.00 16 R 7.15 4.55 0.00 1.79 1.88 0.00 3.34 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 17 P 0.00 4.57 0.00 2.05 1.99 0.00 3.70 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 2.03 2.11 0.00 18 L 8.17 4.18 0.00 1.64 1.61 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.44 0.00 2.37 1.98 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 20 N 8.68 4.33 0.00 2.75 2.81 0.00 0.00 6.66 6.71 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 21 N 8.19 4.31 0.00 2.95 3.07 0.00 0.00 6.28 7.39 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 22 I 7.63 3.73 1.99 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 1.64 0.69 0.91 0.00 0.00 23 R 7.74 3.88 0.00 1.95 1.95 0.00 3.36 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 24 L 8.23 3.88 0.00 1.80 1.86 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.86 4.00 0.00 2.07 1.82 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.61 7.81 26 I 7.84 3.66 1.96 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 1.38 0.84 0.88 0.00 0.00 27 V 7.48 3.46 1.77 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 0.28 0.00 0.00 0.52 0.00 0.00 28 E 7.83 3.92 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 2.31 2.52 0.00 29 M 8.07 4.18 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 30 A 8.01 3.99 1.39 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 0.00 0.00 31 A 7.96 4.08 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 32 D 7.83 4.61 0.00 2.86 2.72 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 33 G 7.89 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 34 I 7.34 3.92 1.95 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 1.44 0.84 0.91 0.00 0.00 35 R 8.40 4.09 0.00 1.84 1.78 0.00 3.20 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 36 P 0.00 4.29 0.00 2.19 2.11 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 37 C 8.03 4.17 0.00 3.13 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 38 V 7.83 3.64 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 1.09 0.00 0.00 0.93 0.00 0.00 39 I 7.70 3.71 2.01 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 1.51 0.67 0.90 0.00 0.00 40 S 8.16 4.15 0.00 3.91 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 41 R 7.65 3.93 0.00 1.86 1.97 0.00 3.22 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 42 Q 8.23 4.06 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 43 L 8.03 4.12 0.00 1.76 1.71 0.91 1.20 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 44 R 8.38 3.89 0.00 2.05 2.08 0.00 3.10 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 45 V 7.57 4.45 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 0.81 0.00 0.00 0.92 0.00 0.00 46 S 8.28 4.22 0.00 3.91 3.84 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 47 H 8.89 4.34 0.00 3.34 3.60 0.00 5.46 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.69 3.46 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 0.00 49 C 7.93 4.08 0.00 2.95 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 50 V 7.73 3.55 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 0.98 0.00 0.00 0.92 0.00 0.00 51 S 8.25 4.08 0.00 3.99 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 52 K 7.88 3.88 0.00 2.01 1.96 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 53 I 7.92 3.76 1.86 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 1.52 0.96 0.89 0.00 0.00 54 L 8.05 4.07 0.00 2.11 1.74 0.92 0.37 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 55 N 8.62 4.35 0.00 2.89 2.95 0.00 0.00 6.88 7.19 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 56 R 8.27 3.98 0.00 2.19 1.96 0.00 3.17 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 Y 8.13 4.33 0.00 3.18 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 58 Q 7.61 3.88 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 59 E 7.96 4.07 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 2.33 2.47 0.00 60 T 8.15 4.22 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 1.21 0.00 0.00 61 G 7.87 4.02 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 0.00 0.00 0.00 62 S 7.71 4.89 0.00 3.78 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 63 I 8.53 3.98 1.88 0.00 0.00 0.48 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 0.88 0.87 0.00 0.00 64 R 7.42 3.93 0.00 1.81 1.87 0.00 3.27 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 65 P 0.00 4.55 0.00 2.23 2.06 0.00 3.84 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 1.99 1.97 0.00 66 G 8.25 3.75 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 0.00 0.00 0.00 67 V 8.14 3.83 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 0.84 0.00 0.00 0.94 0.00 0.00 68 I 8.25 4.27 1.88 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 1.36 0.89 0.92 0.00 0.00 69 G 9.23 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 70 G 8.86 3.95 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 0.00 0.00 0.00 71 S 8.15 4.76 0.00 3.61 3.62 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 72 K 8.73 4.02 0.00 1.77 1.64 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81 73 P 0.00 4.29 0.00 2.08 1.91 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 74 R 8.40 4.47 0.00 1.78 1.92 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 75 I 8.12 3.86 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 1.35 0.62 0.91 0.00 0.00 76 A 7.72 4.58 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 77 T 7.33 4.15 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 1.21 0.00 0.00 78 P 0.00 4.32 0.00 2.05 2.39 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.45 0.00 79 E 8.72 4.23 0.00 2.19 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 2.36 2.39 0.00 80 I 7.80 3.74 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 1.50 0.58 0.91 0.00 0.00 81 E 7.73 3.97 0.00 2.08 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 2.25 2.20 0.00 82 N 7.99 4.53 0.00 2.78 2.88 0.00 0.00 6.84 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 83 R 7.66 3.95 0.00 1.86 2.05 0.00 3.36 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 84 I 7.98 3.87 2.01 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 1.57 0.75 0.90 0.00 0.00 85 E 8.19 3.98 0.00 2.26 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 2.27 2.56 0.00 86 E 8.10 4.19 0.00 2.24 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 2.31 2.32 0.00 *87 Y 7.47 4.44 0.00 2.33 2.24 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 88 K 7.53 4.44 0.00 1.91 2.14 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.37 7.81 89 R 7.94 4.17 0.00 1.85 1.88 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 90 S 8.47 4.15 0.00 3.62 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 91 S 7.94 2.95 0.00 3.68 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 92 P 0.00 4.54 0.00 2.08 1.88 0.00 3.71 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 1.94 1.59 0.00 93 G 8.78 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 0.00 0.00 0.00 94 M 7.29 4.29 0.00 2.06 1.90 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 2.52 2.49 0.00 95 F 8.96 4.13 0.00 2.48 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 96 S 8.63 4.09 0.00 3.94 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 97 W 8.29 4.30 0.00 3.65 3.37 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 98 E 6.91 3.14 0.00 1.78 1.59 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 1.47 1.47 0.00 99 I 7.46 3.60 2.01 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 1.35 0.72 0.89 0.00 0.00 100 R 7.73 3.93 0.00 1.91 2.21 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 101 E 8.10 4.13 0.00 2.18 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 2.82 2.83 0.00 102 K 8.10 4.01 0.00 1.80 1.92 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 103 L 8.00 4.05 0.00 2.11 1.66 0.92 1.12 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 0.00 104 I 7.53 4.20 2.05 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 1.23 1.85 0.93 0.00 0.00 105 R 7.60 4.12 0.00 1.94 2.07 0.00 3.06 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 106 E 7.64 4.21 0.00 2.10 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 2.32 2.46 0.00 107 G 7.84 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 0.00 108 V 7.82 3.74 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 0.74 0.00 0.00 0.93 0.00 0.00 109 C 8.12 4.80 0.00 2.95 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 0.00 110 D 7.98 4.96 0.00 2.73 2.52 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 0.00 0.00 0.00 0.00 111 R 8.22 4.07 0.00 1.89 1.99 0.00 3.40 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 112 S 8.35 4.28 0.00 3.83 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 0.00 113 T 7.25 4.53 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 0.00 114 A 7.82 4.54 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 0.00 115 P 0.00 4.47 0.00 2.07 2.01 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 116 S 8.40 4.39 0.00 4.07 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 0.00 117 V 8.40 3.73 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 1.00 0.00 0.00 1.03 0.00 0.00 118 S 8.08 4.10 0.00 3.91 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 0.00 119 A 8.08 4.03 1.39 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 0.00 0.00 120 I 7.98 3.72 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.92 0.00 0.00 121 S 8.07 4.20 0.00 4.09 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 0.00 122 R 7.75 4.11 0.00 1.93 1.85 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 123 L 8.05 4.43 0.00 1.79 1.75 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.97 4.06 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.