NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0684 8.0244 114.2685 61.2778 38.7547 175.5508 4 R 4.1950 7.8738 119.3508 53.0086 30.4151 171.3209 5 P 4.2455 0.0000 0.0000 62.6464 33.3480 176.8315 6 L 4.4512 8.2350 126.0479 54.0570 40.8501 172.2352 7 H 3.9913 8.2764 123.3703 55.8452 30.2783 177.0014 8 D 4.3702 8.9608 120.2270 55.9825 42.2694 173.9021 9 R 4.4241 7.8255 117.3497 56.0023 31.5811 175.9659 10 V 4.8067 9.0744 121.0432 61.1972 35.5790 174.1534 11 I 5.0620 8.8700 126.6477 59.6803 40.1551 175.1093 12 V 5.0603 8.8409 119.6025 59.2876 36.3357 174.9171 13 K 4.6168 8.7646 121.9781 55.8710 34.4271 176.5406 14 R 4.4213 8.4439 122.1279 56.5001 30.7120 176.6073 15 K 4.2030 8.6645 124.9189 58.5347 32.5147 177.0479 16 E 4.7021 7.4446 115.2917 54.8697 33.5266 175.1223 17 V 3.9092 8.6279 120.4280 63.5361 32.7680 176.9221 18 E 3.6474 8.6723 123.0794 53.2902 26.1030 176.3809 19 T 3.8252 8.5662 121.7256 63.2237 69.6583 175.4942 20 K 4.5289 8.7846 128.1387 55.6821 31.7289 179.2068 21 S 4.7660 7.9535 108.2405 59.8270 63.5252 176.1197 22 A 4.0562 7.8525 123.3074 54.2067 18.2763 179.8426 23 G 3.7271 7.8954 104.5284 46.7146 0.0000 173.5165 24 G 3.9627 7.4788 107.6880 45.3120 0.0000 175.4261 25 I 3.8606 8.8975 120.5691 63.8324 38.1129 177.2366 26 V 3.6343 7.5949 120.7329 62.6362 31.7010 175.1855 27 L 4.6849 8.1845 129.0734 54.1284 40.4962 175.6240 28 T 4.0331 7.9717 118.5123 61.1650 68.3432 174.9510 29 G 4.3062 8.2604 115.7469 44.8974 0.0000 172.2618 30 S 4.6725 8.3237 114.8065 57.1022 64.0460 174.4413 31 A 4.2664 8.8190 128.7131 53.2563 18.5260 176.5533 32 A 3.7135 7.9598 118.0410 54.7333 16.5167 177.0908 33 A 5.0127 8.1441 124.1283 51.7466 23.7253 176.6879 34 K 4.1798 8.8899 117.2377 55.9852 31.5687 178.5523 35 S 5.2153 5.8100 120.4192 58.9532 66.5563 176.0210 36 T 3.2895 7.6420 116.8108 62.8873 70.1924 173.7940 37 R 4.6956 7.6599 122.9218 55.0216 31.9857 175.8827 38 G 4.8526 9.2106 111.0293 45.0324 0.0000 170.2916 39 E 5.2482 9.0816 119.8041 54.5077 33.3099 174.8930 40 V 3.9367 9.1198 128.0567 63.2678 32.2196 176.0778 41 L 4.5057 8.7823 127.1982 56.1968 43.6528 176.5606 42 A 4.6523 7.4733 117.2729 50.9434 22.6110 175.4361 43 V 4.6046 8.1721 118.7788 60.9123 34.7125 175.5832 44 G 3.9057 8.5654 114.9445 45.6377 0.0000 173.5275 45 N 4.5635 9.0150 117.2852 53.8872 38.9589 176.0344 46 G 3.7401 7.1383 103.4567 45.9103 0.0000 170.5405 47 R 4.5555 7.8327 121.7436 54.9942 29.6223 177.3261 48 I 4.1186 7.8496 129.6070 59.7019 35.7048 174.5844 49 L 4.7410 6.9324 122.8009 53.9197 46.2148 177.6099 50 E 3.8509 9.0925 116.8808 56.0541 27.3453 175.3607 51 N 4.6825 7.9864 118.9777 54.1392 39.8568 174.9300 52 G 3.7547 7.6409 106.8843 44.5507 0.0000 172.7744 53 E 3.9994 8.1438 122.2192 56.2292 28.9160 175.7397 54 V 3.8495 7.9059 120.7251 61.8908 30.0804 173.8730 55 K 4.1950 8.1123 123.8715 55.0352 33.3763 175.5353 56 P 4.8682 0.0000 0.0000 61.6799 32.3072 176.0909 57 L 4.2900 8.3027 120.6038 55.3694 42.0991 176.4578 58 D 4.7763 8.8658 118.1503 54.1434 41.6681 176.6647 59 V 4.1786 7.4899 111.0976 61.1106 32.8306 174.8935 60 K 4.6751 7.9447 118.9443 54.8133 35.6343 175.8301 61 V 3.6596 8.1132 119.7235 64.3652 31.8749 176.3414 62 G 4.0380 8.8984 115.6295 45.2463 0.0000 173.6503 63 D 4.5587 7.4942 118.8456 54.4523 42.0551 175.6080 64 I 4.6510 8.2543 123.2715 60.9556 38.1833 175.5822 65 V 4.8111 9.1469 119.3166 59.7708 36.6818 174.2357 66 I 5.0088 8.9907 122.9840 59.5997 40.0421 174.9702 67 F 5.3079 8.1535 120.5418 55.1108 41.4803 174.8987 68 N 4.5402 9.2639 119.9072 52.8768 37.3431 173.9249 69 D 5.0038 8.4963 123.2446 53.4998 39.7051 176.5284 70 G 3.9379 7.7073 117.7176 45.1663 0.0000 171.7469 71 Y 4.2920 8.9244 123.4192 58.8939 40.7886 176.9105 72 G 3.5903 8.4023 110.6594 47.0807 0.0000 177.3703 73 V 3.1637 6.0976 120.9756 58.5766 31.0222 173.6506 74 K 4.6307 8.6429 125.9504 54.7199 35.2264 175.7196 75 S 5.0160 8.2783 116.6295 58.0301 64.2453 172.3452 76 E 4.6902 8.1741 120.2004 55.7647 34.7049 175.1048 77 K 4.9351 9.2423 122.6477 54.8899 34.0498 174.7569 78 I 4.3708 8.4671 128.1257 60.4187 38.9959 176.0146 79 D 4.4513 9.8057 125.0456 55.2750 38.4179 174.3466 80 N 4.4727 8.4585 114.6047 53.6578 38.3280 173.8620 81 E 4.1848 8.0608 117.3547 56.7411 30.2411 175.6281 82 E 4.5679 8.6248 122.1194 56.4269 30.2368 176.4674 83 V 4.3604 8.9454 119.0048 59.6469 34.4361 175.0515 84 L 4.8087 8.7399 125.1610 53.7721 43.2936 175.6172 85 I 5.0272 8.7098 125.1754 59.6525 40.2673 174.6836 86 M 5.1763 8.7140 123.2324 53.5576 35.4760 174.6047 87 S 4.7535 8.4538 113.3712 57.4263 64.5123 174.7745 88 E 3.9878 8.3950 122.7057 59.2316 29.4200 179.3408 89 S 4.2739 8.0300 112.0059 60.6428 63.2992 174.7302 90 D 4.5560 8.1740 120.6635 55.5636 41.1068 176.0914 91 I 4.3780 7.4891 120.8510 60.8915 37.3859 175.7528 92 L 4.2414 8.9252 126.5945 56.9529 42.3621 177.0227 93 A 4.4944 7.4174 117.7170 51.5973 21.8829 175.9702 94 I 4.0646 8.0609 123.4278 60.7345 39.6813 177.4258 *95 V 3.9215 8.2279 118.3174 61.9381 32.1549 171.1409 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 3 I 8.02 4.07 1.85 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 1.28 1.11 0.90 0.00 0.00 4 R 7.87 4.19 0.00 1.79 1.83 0.00 3.29 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 5 P 0.00 4.25 0.00 2.38 2.14 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 6 L 8.24 4.45 0.00 1.58 1.56 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.28 3.99 0.00 3.74 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.96 4.37 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 9 R 7.83 4.42 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 10 V 9.07 4.81 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 0.96 0.00 0.00 0.92 0.00 0.00 11 I 8.87 5.06 1.84 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 0.67 0.87 0.00 0.00 12 V 8.84 5.06 2.18 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 0.72 0.00 0.00 0.72 0.00 0.00 13 K 8.76 4.62 0.00 1.83 1.92 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.41 7.81 14 R 8.44 4.42 0.00 1.92 1.93 0.00 3.30 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 1.68 1.94 0.00 15 K 8.66 4.20 0.00 1.82 1.85 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.38 7.81 16 E 7.44 4.70 0.00 1.91 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 2.23 2.24 0.00 17 V 8.63 3.91 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 0.95 0.00 0.00 18 E 8.67 3.65 0.00 1.93 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 2.31 2.51 0.00 19 T 8.57 3.83 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 1.20 0.00 0.00 20 K 8.78 4.53 0.00 1.86 1.87 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.50 7.81 21 S 7.95 4.77 0.00 3.94 3.98 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 22 A 7.85 4.06 1.36 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 0.00 0.00 0.00 23 G 7.90 3.73 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 0.00 0.00 0.00 24 G 7.48 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 25 I 8.90 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 1.30 0.57 0.91 0.00 0.00 26 V 7.59 3.63 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 0.93 0.00 0.00 27 L 8.18 4.68 0.00 1.64 1.59 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.97 4.03 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 1.19 0.00 0.00 29 G 8.26 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 0.00 0.00 0.00 0.00 30 S 8.32 4.67 0.00 3.87 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 31 A 8.82 4.27 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 32 A 7.96 3.71 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 33 A 8.14 5.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.89 4.18 0.00 1.90 1.50 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.49 7.81 35 S 5.81 5.22 0.00 3.91 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 36 T 7.64 3.29 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 1.07 0.00 0.00 37 R 7.66 4.70 0.00 1.80 1.87 0.00 2.96 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 38 G 9.21 4.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 9.08 5.25 0.00 2.02 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 2.32 0.00 40 V 9.12 3.94 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 0.99 0.00 0.00 1.00 0.00 0.00 41 L 8.78 4.51 0.00 1.63 1.66 0.89 0.71 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 42 A 7.47 4.65 1.18 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 0.00 0.00 43 V 8.17 4.60 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 0.83 0.00 0.00 0.93 0.00 0.00 44 G 8.57 3.91 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 0.00 0.00 0.00 45 N 9.02 4.56 0.00 2.74 2.89 0.00 0.00 6.74 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 46 G 7.14 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 47 R 7.83 4.56 0.00 1.78 1.88 0.00 3.26 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 48 I 7.85 4.12 1.68 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.42 0.83 0.00 0.00 49 L 6.93 4.74 0.00 1.63 1.51 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.09 3.85 0.00 2.14 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 0.00 2.19 2.28 0.00 51 N 7.99 4.68 0.00 2.80 2.97 0.00 0.00 7.10 7.84 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 52 G 7.64 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 53 E 8.14 4.00 0.00 2.13 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 2.18 2.33 0.00 54 V 7.91 3.85 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 0.89 0.00 0.00 55 K 8.11 4.20 0.00 1.97 1.93 0.00 1.63 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.42 7.81 56 P 0.00 4.87 0.00 2.20 2.08 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 57 L 8.30 4.29 0.00 1.66 1.78 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.87 4.78 0.00 2.59 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 59 V 7.49 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 0.81 0.00 0.00 0.93 0.00 0.00 60 K 7.94 4.68 0.00 1.83 1.84 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.36 7.81 61 V 8.11 3.66 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 0.87 0.00 0.00 0.97 0.00 0.00 62 G 8.90 4.04 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 0.00 0.00 0.00 63 D 7.49 4.56 0.00 2.76 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 64 I 8.25 4.65 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 1.47 0.50 0.99 0.00 0.00 65 V 9.15 4.81 2.18 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 0.81 0.00 0.00 1.08 0.00 0.00 66 I 8.99 5.01 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 1.22 0.85 0.80 0.00 0.00 67 F 8.15 5.31 0.00 3.04 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 68 N 9.26 4.54 0.00 2.78 2.89 0.00 0.00 7.10 8.11 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 69 D 8.50 5.00 0.00 2.65 2.60 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 0.00 70 G 7.71 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 71 Y 8.92 4.29 0.00 2.88 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 72 G 8.40 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 73 V 6.10 3.16 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 0.47 0.00 0.00 0.91 0.00 0.00 74 K 8.64 4.63 0.00 1.60 1.60 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.40 7.81 75 S 8.28 5.02 0.00 3.85 3.73 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 76 E 8.17 4.69 0.00 1.83 1.74 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 2.13 2.30 0.00 77 K 9.24 4.94 0.00 1.64 1.67 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 78 I 8.47 4.37 1.86 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 1.28 0.41 0.90 0.00 0.00 79 D 9.81 4.45 0.00 2.76 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 80 N 8.46 4.47 0.00 2.86 2.98 0.00 0.00 7.25 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 81 E 8.06 4.18 0.00 2.27 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 2.33 2.32 0.00 82 E 8.62 4.57 0.00 1.85 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 2.31 2.29 0.00 83 V 8.95 4.36 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 0.83 0.00 0.00 0.89 0.00 0.00 84 L 8.74 4.81 0.00 1.54 1.23 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.71 5.03 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 1.22 0.80 0.89 0.00 0.00 86 M 8.71 5.18 0.00 1.86 2.19 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 87 S 8.45 4.75 0.00 4.11 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 88 E 8.39 3.99 0.00 2.00 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 2.32 2.27 0.00 89 S 8.03 4.27 0.00 4.03 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 90 D 8.17 4.56 0.00 2.89 2.81 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 0.00 0.00 0.00 91 I 7.49 4.38 2.01 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 0.49 0.97 0.00 0.00 92 L 8.93 4.24 0.00 1.74 1.72 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.42 4.49 1.21 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 0.00 0.00 94 I 8.06 4.06 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 1.29 0.64 0.96 0.00 0.00 *95 V 8.23 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.