NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 L 4.3867 8.0427 122.7750 54.7227 44.1414 175.1078 18 I 4.0001 8.3717 124.0475 59.8053 38.6411 173.2598 19 W 4.8284 9.6920 135.0000 55.8919 34.3697 173.8627 20 G 3.7677 6.2228 109.3179 44.6401 0.0000 171.6971 21 C 4.5447 7.6496 116.4272 55.8505 33.7664 172.1092 22 E 4.9362 8.5911 120.2481 54.5561 30.9837 174.8792 23 L 5.1077 8.6793 127.4365 53.5821 44.7822 175.1588 24 N 5.0638 8.3667 117.5304 52.7778 40.1951 173.9142 25 E 4.0570 9.0672 119.3448 59.7370 29.6929 178.1358 26 Q 4.1268 8.3287 115.6912 58.8736 29.4235 177.0480 27 N 4.9533 8.7407 116.6778 51.6249 37.7221 175.6862 28 K 4.3430 7.9303 119.7567 58.6629 33.7352 177.6292 29 T 5.2773 7.8488 115.4480 61.7019 72.4612 173.4309 30 F 4.7700 9.2612 129.2756 57.5829 42.8386 173.6373 31 E 5.0187 8.5407 124.3413 55.6136 31.3298 171.6188 32 F 4.3885 10.5668 128.4195 59.6056 41.1892 178.0772 33 K 3.7490 6.9613 121.4519 54.4687 33.4989 172.0500 *43 H 4.7332 8.6829 109.8442 56.2763 30.7199 172.8241 44 Q 4.7865 8.3400 121.3020 54.2118 32.6057 173.7703 45 L 4.7147 9.0561 122.5051 53.4617 44.0671 174.8451 46 A 5.2546 8.6804 129.3798 49.9777 20.1358 176.4081 47 L 4.3089 8.5984 123.3138 55.5303 42.2626 176.3195 48 R 4.5831 8.9736 121.1799 57.4710 32.0109 176.1278 49 T 5.1446 8.9463 107.9202 59.8160 73.0842 172.0621 50 V 4.9257 8.4137 121.3559 61.3767 34.8147 173.9708 51 C 5.1324 9.0973 120.7087 57.4382 33.1547 172.7028 52 L 4.9033 8.3690 120.4960 52.9931 43.4633 177.0129 53 G 4.0890 9.0451 109.9431 46.1002 0.0000 174.4492 54 D 4.6885 8.9927 120.7777 54.7089 39.5621 176.9516 55 K 4.4179 7.7839 117.4567 55.7128 33.1478 175.9591 56 A 4.2947 7.4611 121.9725 51.5161 18.7003 178.2502 57 K 4.1863 7.8428 120.2238 56.4424 32.8275 177.7136 58 D 4.5793 8.2069 121.9187 52.7668 39.4474 174.8529 59 E 4.5239 7.4900 119.1242 53.6021 33.1169 175.7827 60 F 4.4659 8.4022 118.7117 58.2207 39.4947 174.4458 61 H 5.2109 9.8110 121.4046 54.1518 31.5655 173.7178 62 I 5.2590 8.6113 123.0606 59.4117 41.0804 174.6040 63 V 5.0622 8.6109 126.2878 59.8354 34.0692 174.6134 64 E 5.1984 9.1011 121.8834 54.5804 33.5682 174.3663 65 I 4.9120 9.0880 121.5350 59.6467 39.5869 174.9984 66 V 4.9885 8.5690 127.2072 61.2821 34.0182 174.0813 67 D 4.6961 8.4498 125.1610 52.3289 43.4124 174.0258 68 Q 4.6852 8.6660 121.0944 56.1455 29.8247 176.3592 69 E 4.6351 9.1128 120.2870 55.1159 34.6218 173.8105 70 E 3.6841 9.4120 120.7957 56.2648 30.9971 176.2831 71 G 4.1851 8.3327 100.9175 45.0313 0.0000 172.2318 72 A 4.7335 7.8755 121.4316 49.3944 21.6658 176.0424 73 E 4.5200 8.8373 124.9802 56.6648 30.5052 176.6116 74 K 4.7064 9.5493 130.8073 53.4068 35.1837 171.8593 75 V 4.7562 8.4685 118.2244 58.6438 33.9523 175.3030 76 V 4.3437 8.8914 125.9887 60.1817 33.9469 172.9735 77 P 4.9486 0.0000 0.0000 62.9394 31.3170 176.3967 78 I 4.6156 9.0413 116.3344 60.6117 39.6582 175.5888 79 A 4.5673 7.8056 124.3803 51.3607 22.5411 174.8987 80 T 5.0544 8.6812 119.7439 61.8980 70.6151 173.9128 81 L 5.0973 8.9223 125.9702 53.1415 46.2285 175.5015 82 K 4.6206 8.5755 119.6010 55.1675 35.4554 174.3850 83 P 4.1708 0.0000 0.0000 65.8056 31.2852 177.3716 84 S 4.4880 7.8139 108.9025 58.7056 63.5810 174.0965 85 I 4.1915 7.2764 120.3674 62.4407 38.9024 176.2518 86 L 4.2740 8.0562 124.2065 54.2209 43.3489 172.7909 87 P 4.6264 0.0000 0.0000 63.4148 32.1658 175.6989 88 M 5.2964 7.4789 114.7126 54.4355 34.2017 173.7414 89 A 4.7975 8.9330 120.7918 50.5552 23.2034 175.1504 90 T 4.7409 8.4928 117.1299 63.0387 69.7264 174.2084 91 M 4.4817 8.7985 127.2442 53.9674 33.1264 175.9551 92 V 4.2100 8.2084 122.9931 62.0536 34.0413 175.9097 93 G 4.0311 8.9184 114.0412 45.9580 0.0000 172.8637 94 I 4.2534 7.1917 121.5071 60.1747 38.1492 174.7236 95 E 5.1869 8.7470 126.5361 54.4237 32.5606 175.5860 96 L 4.8453 8.9011 123.9548 52.8844 45.9052 175.4476 97 D 4.8590 8.7502 123.4727 53.1285 41.4753 174.7091 98 P 4.6162 0.0000 0.0000 62.0545 32.2582 174.0793 99 P 5.4262 0.0000 0.0000 61.7444 32.3782 175.6610 100 V 4.5585 8.4268 116.3368 59.4986 35.5950 174.3813 101 T 4.9068 7.9882 112.5098 59.9217 72.0790 172.7878 102 F 5.3356 8.8629 123.0881 56.1733 41.1958 174.5377 103 R 5.0309 8.5514 124.5176 54.1486 30.9434 175.4983 104 L 5.1032 9.2884 130.0660 55.4943 39.2443 176.9429 105 K 4.3219 8.7974 123.9750 58.4565 33.1844 176.0276 106 A 4.5741 7.9404 119.9356 51.6402 22.9387 177.1089 107 G 3.9680 9.0084 104.1640 45.8258 0.0000 173.6622 108 S 4.3822 8.6602 112.3973 56.9388 64.0266 175.9237 109 G 4.1348 7.9955 110.3699 44.4710 0.0000 169.7854 110 P 4.5403 0.0000 0.0000 62.8221 32.3916 174.9809 111 L 4.7074 8.8124 126.3415 53.2858 44.6821 174.4453 112 Y 5.5681 8.8099 123.9246 55.9573 40.5190 174.5358 113 I 4.8012 8.0314 123.3456 59.5050 40.2931 175.0312 114 S 4.8802 8.5044 121.6049 56.8278 66.3513 172.9027 115 G 4.4549 8.2881 106.6129 46.4742 0.0000 172.0953 116 Q 5.1458 8.8711 117.8713 54.2830 33.5034 174.6761 117 H 5.0873 8.2400 117.6414 55.2822 29.8141 175.8588 118 V 4.0189 8.0390 120.9295 63.3777 31.0673 173.9412 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 17 L 8.04 4.39 0.00 1.88 1.72 0.96 0.64 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 18 I 8.37 4.00 1.89 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 1.30 1.13 0.90 0.00 0.00 19 W 9.69 4.83 0.00 3.43 3.02 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 20 G 6.22 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 0.00 0.00 0.00 21 C 7.65 4.54 0.00 2.28 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 0.00 0.00 0.00 22 E 8.59 4.94 0.00 2.06 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 2.10 2.00 0.00 23 L 8.68 5.11 0.00 1.59 1.58 1.07 0.42 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 24 N 8.37 5.06 0.00 2.74 2.71 0.00 0.00 6.85 8.71 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 25 E 9.07 4.06 0.00 1.93 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 2.30 2.35 0.00 26 Q 8.33 4.13 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 27 N 8.74 4.95 0.00 2.89 2.82 0.00 0.00 7.13 6.81 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 28 K 7.93 4.34 0.00 1.75 1.90 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.62 7.81 29 T 7.85 5.28 4.30 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 1.26 0.00 0.00 30 F 9.26 4.77 0.00 3.34 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 31 E 8.54 5.02 0.00 1.79 1.71 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 2.18 1.87 0.00 32 F 10.57 4.39 0.00 3.36 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 33 K 6.96 3.75 0.00 1.86 1.56 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.34 1.08 7.81 *43 H 8.68 4.73 0.00 3.15 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.34 4.79 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 45 L 9.06 4.71 0.00 1.50 1.34 -0.44 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.68 5.25 1.23 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 0.00 0.00 0.00 47 L 8.60 4.31 0.00 1.55 1.59 0.97 0.82 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 48 R 8.97 4.58 0.00 1.73 1.90 0.00 3.22 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 49 T 8.95 5.14 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 V 8.41 4.93 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 1.04 0.00 0.00 0.89 0.00 0.00 51 C 9.10 5.13 0.00 3.01 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 52 L 8.37 4.90 0.00 1.51 1.51 0.75 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.05 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.99 4.69 0.00 2.80 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 55 K 7.78 4.42 0.00 1.73 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.34 7.81 56 A 7.46 4.29 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 57 K 7.84 4.19 0.00 1.96 1.73 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.36 7.81 58 D 8.21 4.58 0.00 2.58 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 59 E 7.49 4.52 0.00 2.00 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 2.13 2.28 0.00 60 F 8.40 4.47 0.00 2.99 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 61 H 9.81 5.21 0.00 3.07 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.61 5.26 1.91 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 1.34 1.19 0.95 0.00 0.00 63 V 8.61 5.06 2.13 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 0.87 0.00 0.00 1.05 0.00 0.00 64 E 9.10 5.20 0.00 2.12 2.17 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 2.32 2.30 0.00 65 I 9.09 4.91 1.92 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 1.08 0.84 0.88 0.00 0.00 66 V 8.57 4.99 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 0.99 0.00 0.00 0.95 0.00 0.00 67 D 8.45 4.70 0.00 2.74 2.66 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 68 Q 8.67 4.69 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 69 E 9.11 4.64 0.00 1.83 1.76 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 2.12 2.07 0.00 70 E 9.41 3.68 0.00 2.11 1.58 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 2.20 2.34 0.00 71 G 8.33 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 0.00 0.00 0.00 0.00 72 A 7.88 4.73 1.24 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 0.00 0.00 73 E 8.84 4.52 0.00 1.99 1.87 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 2.29 2.31 0.00 74 K 9.55 4.71 0.00 1.41 1.62 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.25 7.81 75 V 8.47 4.76 2.17 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 0.85 0.00 0.00 1.04 0.00 0.00 76 V 8.89 4.34 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 1.00 0.00 0.00 0.94 0.00 0.00 77 P 0.00 4.95 0.00 1.99 2.00 0.00 3.68 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 78 I 9.04 4.62 1.92 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 1.43 0.72 1.01 0.00 0.00 79 A 7.81 4.57 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 80 T 8.68 5.05 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 1.32 0.00 0.00 81 L 8.92 5.10 0.00 1.52 1.65 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.58 4.62 0.00 1.45 1.42 0.00 0.61 0.00 0.00 0.73 0.00 0.00 2.61 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.22 7.81 83 P 0.00 4.17 0.00 2.02 2.08 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 84 S 7.81 4.49 0.00 3.89 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 85 I 7.28 4.19 1.92 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 1.20 0.98 1.00 0.00 0.00 86 L 8.06 4.27 0.00 1.65 1.54 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.63 0.00 2.24 2.38 0.00 3.76 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 2.05 1.93 0.00 88 M 7.48 5.30 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 89 A 8.93 4.80 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 90 T 8.49 4.74 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 91 M 8.80 4.48 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 92 V 8.21 4.21 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 1.02 0.00 0.00 0.93 0.00 0.00 93 G 8.92 4.03 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 0.00 94 I 7.19 4.25 1.89 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 1.25 1.12 0.97 0.00 0.00 95 E 8.75 5.19 0.00 1.80 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 2.29 0.00 96 L 8.90 4.85 0.00 1.55 1.51 1.06 1.21 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 97 D 8.75 4.86 0.00 2.57 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 98 P 0.00 4.62 0.00 1.88 1.92 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 99 P 0.00 5.43 0.00 2.02 1.99 0.00 3.28 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.79 0.00 100 V 8.43 4.56 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 0.84 0.00 0.00 0.86 0.00 0.00 101 T 7.99 4.91 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 1.27 0.00 0.00 102 F 8.86 5.34 0.00 3.26 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 0.00 103 R 8.55 5.03 0.00 1.97 1.82 0.00 3.13 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 104 L 9.29 5.10 0.00 1.91 1.60 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.80 4.32 0.00 2.05 1.87 0.00 2.05 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.42 7.81 106 A 7.94 4.57 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 0.00 107 G 9.01 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 0.00 108 S 8.66 4.38 0.00 3.98 4.10 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 0.00 109 G 8.00 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 0.00 110 P 0.00 4.54 0.00 1.51 2.15 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 111 L 8.81 4.71 0.00 1.56 1.41 0.92 0.77 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 0.00 112 Y 8.81 5.57 0.00 2.87 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 0.00 113 I 8.03 4.80 1.54 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.59 0.00 0.00 114 S 8.50 4.88 0.00 3.80 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 0.00 115 G 8.29 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 0.00 0.00 0.00 0.00 116 Q 8.87 5.15 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 117 H 8.24 5.09 0.00 3.23 3.37 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 0.00 118 V 8.04 4.02 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.