NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2745 8.3293 119.1183 55.3051 28.5687 174.2479 3 T 4.4232 8.1056 114.8314 59.1466 71.8703 174.1329 4 K 4.4978 8.0043 124.4474 54.0120 33.7633 176.3564 5 V 3.7081 8.4324 119.5013 64.2001 31.8503 175.4060 6 I 4.1277 8.0653 128.2844 59.6700 38.3955 174.9033 7 N 4.4925 8.2461 124.2045 51.7001 40.3072 175.0114 8 F 4.3265 8.0776 127.0902 60.7922 39.2650 176.9302 9 N 4.5384 8.4728 116.0976 57.0115 38.5521 176.3965 10 D 4.4060 8.4854 119.1674 57.3390 41.2517 178.6389 11 K 4.1833 8.1667 118.9561 59.5979 31.5438 179.4669 12 F 4.1264 8.5537 118.6154 60.3901 38.5438 177.7400 13 S 4.2395 7.8826 112.4453 60.8188 62.9328 176.0005 14 L 4.2870 7.7434 121.3961 55.6487 41.8330 176.7700 15 F 5.0782 7.2074 111.8896 55.3392 40.8122 174.0739 16 N 4.7649 8.6855 118.2649 53.1318 40.2770 175.1509 17 Q 4.1016 8.2715 119.6204 56.5302 29.4294 175.1488 18 H 5.0551 8.7235 121.1798 54.9013 30.6211 174.6375 19 W 4.4177 8.1268 118.2327 57.9216 27.1132 175.7431 20 S 4.6463 7.4824 114.2196 55.4122 62.9553 171.2277 21 P 4.5111 0.0000 0.0000 62.6657 32.1914 175.5197 22 R 4.3339 8.6994 123.6514 54.1604 32.0809 175.7172 23 V 4.1940 8.4124 125.3948 63.0454 31.4163 175.3638 24 I 4.4508 8.8598 121.6739 61.5821 39.4229 175.2978 25 A 4.6860 7.7580 122.5076 51.1189 22.7511 174.6210 26 E 5.7634 8.2135 117.3580 52.8035 34.0522 176.3469 *28 N 4.8916 8.7020 118.3461 53.9193 39.6613 175.0285 29 D 5.0181 9.0936 126.6443 54.4549 40.6134 173.8520 30 Y 4.9680 8.2132 115.7889 57.0678 41.4967 174.5261 31 Q 5.1274 8.8345 119.8050 54.3069 32.9374 174.3880 32 F 4.8294 9.4374 122.2388 55.9267 41.0523 175.0114 33 K 5.0840 9.0189 123.3393 54.5979 35.3961 175.7682 34 L 4.8522 8.7898 124.9943 53.6497 43.7164 175.9002 35 V 4.9359 9.1925 121.8726 61.3112 35.8132 173.6995 36 K 4.9516 8.9125 124.9558 54.7761 34.6369 175.5721 37 V 3.4948 8.1327 117.5741 59.3643 35.9313 174.2560 38 E 4.6142 8.0807 120.4464 56.9373 32.3776 176.4557 39 G 3.9504 9.2423 115.4469 44.8569 0.0000 172.1898 40 E 4.6272 8.4064 117.3170 55.0174 31.5634 176.7619 41 F 4.0643 8.3237 126.8619 57.8074 40.2771 174.9235 42 V 4.3337 6.6366 111.4063 58.7904 35.1890 175.6744 43 W 4.5500 8.5743 122.9487 57.3253 29.5740 175.2729 44 H 4.9765 8.9729 119.3875 54.9958 32.0988 171.8572 45 E 5.0069 8.5682 115.2154 55.1551 33.7269 174.1677 46 H 4.9271 8.6898 116.7147 53.9287 30.4118 174.6769 47 A 3.9850 8.9147 127.5719 54.5563 18.4631 177.7499 48 D 4.8560 7.9700 112.2712 54.5261 41.6691 175.7851 49 T 4.7577 7.3042 113.2874 60.5487 70.8891 172.6134 50 D 4.8999 8.7351 126.3831 54.4589 42.1009 175.2654 51 E 4.6239 9.0964 121.2331 54.5130 33.4282 174.1967 52 V 4.8576 8.3608 126.5206 61.2995 33.8489 174.0715 53 F 5.0590 9.1463 126.6538 55.7877 41.0595 175.1516 54 I 4.7260 8.2781 123.3092 59.5706 40.4375 175.5627 55 V 3.9642 8.5560 127.4491 62.0510 33.5681 174.1233 *57 E 4.1021 8.5239 123.1441 57.5076 30.6250 175.9414 58 G 3.5796 9.0558 111.6385 44.2381 0.0000 171.0585 59 T 4.9209 8.0322 115.1435 61.7495 71.8730 173.2733 60 L 4.6764 8.8851 128.7690 53.3359 44.7864 174.8669 61 Q 5.0187 8.4532 123.5896 54.1660 32.0395 174.4585 62 I 4.4432 8.5242 123.4998 59.2675 40.2932 174.5073 63 A 5.0217 8.2531 129.9528 50.6684 20.1360 176.1765 64 F 5.4979 9.2227 120.2137 55.4498 42.8154 176.9173 65 R 4.0222 9.2258 119.1099 58.5323 29.9641 177.5367 66 D 4.9276 8.0497 114.7516 53.1280 41.0262 175.8787 67 Q 4.6807 7.8793 115.7252 55.2058 31.7677 172.4547 68 N 5.4684 8.6948 117.0238 51.7766 41.4631 173.6254 69 I 4.7535 8.8274 123.7600 59.7588 40.6593 174.5903 70 T 4.9974 8.4379 121.2462 61.7037 71.3894 173.2553 71 L 4.9025 9.1640 126.0117 53.1693 44.7399 176.4799 72 Q 4.8656 9.3121 123.0275 53.7538 31.5674 175.0062 73 A 4.0682 7.7504 123.3134 54.1130 18.6243 177.9240 74 G 3.8914 8.8470 109.8322 46.2663 0.0000 172.7248 75 E 4.6453 7.6521 118.7794 54.1305 33.6860 173.7214 *77 Y 4.5829 7.9764 119.1520 57.7821 40.3672 173.6877 78 V 4.7003 7.5534 125.2050 61.2781 33.3541 175.0642 79 I 4.4719 9.5083 131.0601 60.1806 38.1444 174.1685 80 P 5.0585 0.0000 0.0000 61.8512 32.5913 176.4744 81 K 4.4211 8.2306 121.7680 57.8984 32.8073 177.7892 82 G 4.1256 9.0214 109.6484 44.7269 0.0000 173.2923 83 V 4.2011 7.5492 120.1836 61.5624 32.2047 175.3680 84 E 4.6703 9.0281 130.0552 56.7751 30.3594 175.2423 85 H 4.9849 9.3482 121.1964 54.6358 32.8270 172.7805 86 K 4.3403 8.1206 120.5315 54.2274 34.2082 173.8229 87 P 5.2474 0.0000 0.0000 61.3797 33.5146 174.9666 *89 A 4.1937 8.2955 120.9664 52.0023 19.2813 178.1491 90 K 3.9115 8.9809 122.5543 58.7202 32.4101 176.5452 91 E 4.7196 7.5808 115.0645 53.4270 33.0881 174.6991 92 E 4.0618 8.6033 120.6735 57.1926 30.0680 175.4888 93 C 4.8268 8.9312 126.8584 57.4478 34.9306 172.4176 94 K 4.6594 8.6788 126.4307 54.9289 32.5440 175.4373 95 I 5.1098 8.5319 122.2539 58.9572 41.3055 174.1651 *97 I 4.1094 8.2657 119.9363 61.3646 39.1049 174.7721 98 I 4.8396 7.9886 126.1036 58.4396 40.3556 174.4544 99 E 4.9554 8.1897 122.7885 54.7462 32.5474 172.9274 100 P 3.8459 0.0000 0.0000 61.8575 32.2402 176.9245 101 R 3.9470 8.4298 121.9349 56.7008 29.9445 176.2943 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 4.27 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 3 T 8.11 4.42 4.19 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 1.26 0.00 0.00 4 K 8.00 4.50 0.00 1.74 1.40 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.95 7.81 5 V 8.43 3.71 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 0.85 0.00 0.00 0.87 0.00 0.00 6 I 8.07 4.13 1.63 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.77 0.00 0.00 7 N 8.25 4.49 0.00 2.64 2.70 0.00 0.00 7.17 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 8 F 8.08 4.33 0.00 3.27 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 9 N 8.47 4.54 0.00 2.87 3.06 0.00 0.00 7.16 8.49 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 10 D 8.49 4.41 0.00 2.82 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 11 K 8.17 4.18 0.00 1.84 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.61 7.81 12 F 8.55 4.13 0.00 3.17 2.82 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 0.00 0.00 0.00 13 S 7.88 4.24 0.00 4.04 4.13 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 14 L 7.74 4.29 0.00 1.99 1.90 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.21 5.08 0.00 3.18 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 16 N 8.69 4.76 0.00 2.72 2.85 0.00 0.00 6.91 7.69 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 17 Q 8.27 4.10 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 18 H 8.72 5.06 0.00 3.31 2.85 0.00 5.84 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 19 W 8.13 4.42 0.00 3.55 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 20 S 7.48 4.65 0.00 3.69 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 1.89 1.94 0.00 3.67 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 2.03 2.13 0.00 22 R 8.70 4.33 0.00 1.28 1.56 0.00 2.99 0.00 0.00 2.75 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 23 V 8.41 4.19 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 0.82 0.00 0.00 0.91 0.00 0.00 24 I 8.86 4.45 1.88 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.91 0.94 0.00 0.00 25 A 7.76 4.69 1.05 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 0.00 0.00 26 E 8.21 5.76 0.00 1.86 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 2.40 2.21 0.00 *28 N 8.70 4.89 0.00 2.87 1.98 0.00 0.00 6.72 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 29 D 9.09 5.02 0.00 2.68 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 30 Y 8.21 4.97 0.00 2.93 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 31 Q 8.83 5.13 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 32 F 9.44 4.83 0.00 3.02 3.05 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 33 K 9.02 5.08 0.00 1.49 1.61 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 34 L 8.79 4.85 0.00 1.50 1.31 0.26 0.66 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 35 V 9.19 4.94 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 1.03 0.00 0.00 0.92 0.00 0.00 36 K 8.91 4.95 0.00 2.01 1.58 0.00 1.45 0.00 0.00 1.81 0.00 0.00 2.52 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.25 1.48 7.81 37 V 8.13 3.49 0.67 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 -0.11 0.00 0.00 0.64 0.00 0.00 38 E 8.08 4.61 0.00 1.74 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 2.22 2.27 0.00 39 G 9.24 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 40 E 8.41 4.63 0.00 1.90 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 0.00 2.22 2.27 0.00 41 F 8.32 4.06 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 6.64 4.33 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 0.41 0.00 0.00 0.15 0.00 0.00 43 W 8.57 4.55 0.00 3.15 3.28 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 0.00 44 H 8.97 4.98 0.00 3.20 3.35 0.00 5.21 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.57 5.01 0.00 2.07 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 2.36 0.00 46 H 8.69 4.93 0.00 3.32 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.91 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.86 0.00 2.68 2.71 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 49 T 7.30 4.76 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 50 D 8.74 4.90 0.00 2.65 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 51 E 9.10 4.62 0.00 1.97 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 1.94 2.12 0.00 52 V 8.36 4.86 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 0.92 0.00 0.00 0.92 0.00 0.00 53 F 9.15 5.06 0.00 3.00 2.99 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 54 I 8.28 4.73 1.86 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 1.27 0.97 0.91 0.00 0.00 55 V 8.56 3.96 2.32 0.00 0.00 0.00 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 1.00 0.00 0.00 *57 E 8.52 4.10 0.00 1.96 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 2.15 2.24 0.00 58 G 9.06 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 0.00 0.00 0.00 59 T 8.03 4.92 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 60 L 8.89 4.68 0.00 1.67 1.41 0.83 0.68 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 61 Q 8.45 5.02 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 62 I 8.52 4.44 1.51 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.47 0.14 0.00 0.00 63 A 8.25 5.02 1.03 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 64 F 9.22 5.50 0.00 3.24 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 65 R 9.23 4.02 0.00 1.81 1.91 0.00 2.87 0.00 0.00 2.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 66 D 8.05 4.93 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.68 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 68 N 8.69 5.47 0.00 2.68 2.75 0.00 0.00 6.80 6.91 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 69 I 8.83 4.75 1.93 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 1.27 0.78 0.57 0.00 0.00 70 T 8.44 5.00 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 1.19 0.00 0.00 71 L 9.16 4.90 0.00 1.47 1.55 0.99 1.03 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 72 Q 9.31 4.87 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 73 A 7.75 4.07 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 74 G 8.85 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 75 E 7.65 4.65 0.00 2.09 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 2.24 2.33 0.00 *77 Y 7.98 4.58 0.00 3.22 2.99 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 78 V 7.55 4.70 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 0.86 0.00 0.00 0.86 0.00 0.00 79 I 9.51 4.47 2.04 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.27 0.98 0.00 0.00 80 P 0.00 5.06 0.00 2.13 2.00 0.00 3.76 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 81 K 8.23 4.42 0.00 2.17 1.94 0.00 1.85 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 82 G 9.02 4.13 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 0.00 83 V 7.55 4.20 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 1.07 0.00 0.00 1.02 0.00 0.00 84 E 9.03 4.67 0.00 2.11 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 2.63 2.44 0.00 85 H 9.35 4.98 0.00 2.61 2.95 0.00 5.28 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.12 4.34 0.00 0.79 0.74 0.00 1.33 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.87 0.98 7.81 87 P 0.00 5.25 0.00 2.20 1.70 0.00 4.13 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.67 0.00 *89 A 8.30 4.19 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 90 K 8.98 3.91 0.00 1.74 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.45 7.81 91 E 7.58 4.72 0.00 1.86 1.80 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 2.17 2.23 0.00 92 E 8.60 4.06 0.00 1.91 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 0.00 2.09 2.07 0.00 93 C 8.93 4.83 0.00 2.85 2.53 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 94 K 8.68 4.66 0.00 1.09 0.74 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.67 0.92 7.81 95 I 8.53 5.11 2.00 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 1.37 1.91 0.93 0.00 0.00 *97 I 8.27 4.11 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.39 0.61 0.00 0.00 98 I 7.99 4.84 1.64 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 0.29 1.62 0.36 0.00 0.00 99 E 8.19 4.96 0.00 1.86 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 2.08 2.16 0.00 100 P 0.00 3.85 0.00 1.64 1.40 0.00 3.47 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.39 0.00 101 R 8.43 3.95 0.00 1.67 1.74 0.00 3.28 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.