NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3994 8.3049 118.1870 54.7170 32.4379 174.9825 2 T 3.5114 8.2150 117.8964 63.4350 69.6904 169.5208 3 E 4.3597 9.1872 128.4741 54.9033 31.3068 174.9619 4 Y 4.5148 8.3342 127.0708 57.1112 37.3730 173.4494 5 K 4.3765 8.3089 120.8287 55.5691 32.7656 176.6555 6 L 4.4060 8.3079 124.4895 54.8024 42.9007 178.2928 *7 V 3.8973 7.8049 116.7411 60.4560 33.8616 175.3414 8 V 4.0749 7.7477 119.8824 62.7886 32.6070 174.5838 9 V 4.7890 7.0455 124.1852 61.5750 34.9678 174.4213 10 G 3.2152 7.3637 108.7203 44.6014 0.0000 172.0604 11 A 4.7742 7.9779 123.6038 50.3412 19.3133 175.3027 12 P 4.5391 0.0000 0.0000 61.7233 32.0591 176.6766 13 G 3.4581 8.9865 111.4145 45.1887 0.0000 173.8605 *14 V 3.9485 7.6875 119.1391 60.8230 33.4973 175.4137 15 G 3.9885 8.1148 109.1974 45.1415 0.0000 175.8620 16 K 3.8082 8.3944 121.5787 59.5079 31.9137 178.7242 17 S 4.3246 8.3625 115.5209 60.9779 62.5922 176.4506 18 A 3.9487 7.4725 121.7872 55.1368 18.2089 179.1642 19 L 4.1337 7.9203 115.6550 58.6089 41.9417 179.5429 20 T 4.0938 7.5595 114.0219 66.5302 68.3609 174.6260 21 I 3.6862 8.1804 126.3170 61.7645 38.0434 176.9349 *22 Q 4.1931 8.2014 118.8567 54.8659 30.0899 174.8928 23 L 4.1694 8.2469 120.0613 54.8538 43.7441 177.7654 24 I 4.0652 7.2517 117.1441 62.5651 37.7640 176.5853 25 Q 4.3570 8.5266 117.7258 54.8977 29.4727 175.1391 26 N 4.8387 8.3599 115.1818 52.4485 38.0825 172.9731 27 H 4.7532 7.4262 107.5606 54.3931 31.5550 172.4940 28 F 4.8103 8.8200 123.6502 56.6150 39.9924 175.4327 29 V 3.8945 7.9490 128.2968 60.8488 32.0556 175.2820 30 D 4.3990 8.2383 123.2923 53.6582 42.0356 175.9529 31 E 4.2819 7.5812 117.1915 56.8426 31.0453 176.0214 32 Y 4.5047 8.3839 119.7709 58.4558 39.8862 176.0629 *33 D 4.4841 8.1878 119.5759 52.2595 41.7606 173.7408 34 P 4.0803 0.0000 0.0000 63.1288 32.7315 177.0083 35 T 4.8169 8.0871 119.8995 61.8665 70.8178 172.2618 36 I 4.5712 8.7164 125.0678 61.4987 40.3421 177.4000 37 E 4.3077 9.3151 122.4489 55.1083 28.6876 175.7014 38 D 4.4612 8.2260 122.3812 54.4279 42.7359 177.5393 *39 S 4.3143 8.1891 116.0350 58.1194 64.3942 173.3434 40 Y 4.2780 7.7140 118.2879 57.9520 39.6096 173.6810 41 R 5.7836 8.3875 118.8177 53.7119 33.8104 175.1068 42 K 4.6023 8.2670 122.4252 55.0610 35.7984 174.8784 43 Q 4.4109 8.6341 128.1902 55.7992 30.0201 175.3552 *45 V 4.1421 8.1170 116.5951 61.5111 32.9534 175.3988 46 I 4.2042 8.1987 121.9612 61.1249 40.5215 175.5221 47 D 4.4879 9.8939 126.4503 55.3259 38.4518 173.4757 48 G 3.8628 8.2494 100.7636 46.6510 0.0000 173.9391 49 E 4.4382 8.3740 120.3357 53.9477 32.1945 174.3747 50 T 4.4548 8.5369 117.1617 61.2426 68.5654 173.1631 51 C 4.8803 8.1839 125.6326 57.5435 35.3820 172.5795 52 L 4.9540 7.9969 124.5110 53.7501 44.3658 175.0119 53 L 5.7769 8.8118 121.9059 51.9513 46.3162 175.5686 54 D 5.2213 8.7630 121.8390 53.2008 42.8469 174.4905 55 I 4.7864 8.5367 130.5215 60.3721 39.8556 174.9134 *57 D 4.4456 8.5537 124.6317 55.4773 42.0038 176.2120 58 T 4.4075 8.2655 115.9327 60.0662 71.3287 174.5221 59 A 4.2124 8.5225 125.9219 52.3146 19.4629 177.5504 60 G 4.0341 8.2738 107.4092 45.4725 0.0000 175.2385 *65 S 4.3546 7.4799 113.6745 57.4226 65.7140 174.7490 66 A 4.2586 7.6300 123.2712 53.4749 19.6176 177.7136 67 M 4.0259 7.9991 117.5955 56.2693 32.9902 178.5608 *69 D 4.3043 8.3121 118.1584 54.5523 42.8997 177.5195 70 Q 3.7851 7.8849 118.6435 59.6785 29.1790 178.0176 71 Y 4.4325 8.1703 115.2760 60.1351 38.7338 178.3047 72 M 4.7689 6.9147 123.4510 54.7594 30.8277 178.0630 *74 T 4.2129 7.9156 109.0998 61.3623 71.0103 174.1984 75 G 3.6597 8.2379 111.3785 44.8155 0.0000 172.5758 *77 G 3.7741 8.1497 105.1536 45.9742 0.0000 172.4908 78 F 4.8002 8.7880 120.5278 55.2241 41.8029 174.4687 79 L 4.7277 8.8490 124.5356 54.3247 43.3694 175.8064 80 C 5.6018 8.8652 119.6113 57.9177 32.9882 173.3481 *82 F 4.9348 8.6658 117.2621 56.7108 39.9028 173.6394 83 A 4.8680 8.1354 122.0248 49.9837 20.4796 177.4835 84 I 4.2531 8.1781 118.1325 63.7934 37.6424 176.1494 85 N 4.6560 7.8709 119.0462 52.5509 37.1296 175.7528 86 N 4.4391 7.7524 113.5403 54.6167 39.9760 175.5269 87 T 4.0692 8.3808 127.5598 63.1418 67.5073 175.2359 *89 S 5.1443 7.9214 112.1639 58.5497 64.4576 175.4089 *91 E 4.2408 8.1843 121.9286 57.6526 31.2839 178.1943 92 D 4.2917 8.0292 117.9266 57.0400 40.7938 178.5253 93 I 3.9756 7.4908 120.6144 64.8932 37.2168 177.4116 94 H 4.7538 7.7248 119.9299 59.0680 29.5753 176.7243 95 Q 3.8404 8.1366 118.8010 59.2000 28.6623 178.1700 96 Y 3.6627 7.5403 117.2654 61.2347 37.9232 178.7503 97 R 3.7715 8.2144 119.2982 59.6350 29.7960 177.9784 98 E 3.9257 7.8252 117.9331 58.7254 29.9409 178.0306 99 Q 3.9990 7.9835 120.2008 58.8900 29.0404 178.2051 100 I 3.4789 7.6667 114.2107 63.7965 36.3639 177.9618 101 K 4.0514 7.6997 118.4499 57.5839 31.4950 178.6411 102 R 4.2152 7.5876 119.2763 58.5460 30.4369 178.1970 103 V 3.8111 7.3847 110.3690 64.2105 32.1508 178.4943 104 K 4.0364 7.9227 116.2319 57.1490 31.9329 176.8042 105 D 4.5385 7.3914 117.7008 54.5174 38.1345 173.8761 106 S 4.5814 7.5142 112.3303 57.6861 66.8857 175.6962 107 D 4.5006 8.7751 124.8839 55.9947 40.9498 175.8036 108 D 4.7482 7.5335 115.4990 52.1797 43.7361 174.7488 109 V 4.3684 8.1571 125.1324 60.3030 34.7864 172.6044 110 P 4.4211 0.0000 0.0000 63.4303 32.3264 174.8810 111 M 5.1414 8.1232 119.9506 54.9872 35.5233 173.8237 112 V 4.3947 8.8109 125.1190 60.7794 35.1553 174.0673 113 L 4.5311 9.2428 131.0783 55.4452 42.8366 175.5577 114 V 4.9529 7.8678 127.6604 60.2302 33.2495 175.6650 115 G 3.4532 8.1791 116.0529 44.8215 0.0000 172.2393 116 N 4.9028 8.6743 126.6090 51.5653 41.3139 174.2998 117 K 4.1192 8.1479 117.4977 57.7705 29.0520 176.7614 118 C 4.5797 7.7201 110.6745 58.7755 30.1926 174.6285 119 D 4.3846 7.6670 120.1362 56.5060 39.3078 177.3246 120 L 4.0279 7.6661 117.9292 54.2039 41.4945 175.8209 121 A 3.9749 7.7490 122.8709 54.1545 18.9890 177.9574 122 A 4.2555 7.7365 129.8024 51.2322 18.4093 176.8646 123 R 4.5540 7.9392 122.5494 55.9160 32.7415 175.7869 *125 V 3.9858 8.2557 119.3595 63.1820 32.5731 176.3644 126 E 4.1778 9.5553 129.2179 56.0631 29.9249 178.3853 127 S 4.1832 9.0947 118.5769 61.3741 62.3271 176.1335 128 R 3.8751 8.1045 121.0709 59.6748 29.6613 177.7854 129 Q 3.8700 7.8842 117.3552 59.6840 28.6775 179.0021 130 A 3.5812 7.8705 120.7325 54.7193 18.1585 178.9436 131 Q 3.4371 7.5625 116.8276 59.4602 29.1086 179.6998 132 D 4.3133 8.2057 119.7387 56.6949 40.9268 178.3443 133 L 3.6296 7.6974 120.6997 58.0024 42.0570 178.4627 134 A 4.0172 8.4650 121.5988 55.4746 18.0394 179.1752 135 R 3.8198 8.0178 115.8108 60.0209 30.2314 178.4770 136 S 4.1942 7.9926 110.8800 61.0843 62.5566 174.9154 137 Y 4.6805 8.4975 119.3490 57.3986 39.0370 174.4450 138 G 4.0662 8.7807 107.5844 45.7877 0.0000 171.1341 139 I 4.7651 7.1647 110.2892 58.3095 41.7407 173.5396 140 P 4.4528 0.0000 0.0000 63.1556 32.6041 175.4186 141 Y 5.1699 8.6504 123.3169 56.0908 41.7255 173.9679 142 I 4.4405 8.3268 128.3373 59.1955 40.2880 175.5614 143 E 4.9540 8.6271 126.4762 56.1994 30.4521 175.9628 144 T 4.5132 7.7549 109.7719 61.4399 72.4236 172.7025 145 S 4.4489 8.4517 113.9135 57.9270 64.9188 175.9630 146 A 4.0625 8.7881 131.6250 54.5031 18.6425 178.4928 147 K 2.7995 7.2537 116.7610 59.3538 32.1943 177.8027 148 T 4.0059 7.4041 105.7723 61.3156 69.6343 175.1823 149 R 4.0473 7.3314 128.7250 58.2729 30.7375 175.0074 150 Q 3.7102 7.0259 121.5972 58.4363 26.7098 177.4961 151 G 3.9193 8.8559 114.5181 44.9466 0.0000 173.6216 152 V 3.5909 8.1309 120.0297 66.4455 31.5246 177.6922 153 E 4.2653 7.9580 117.1561 58.6028 29.3811 178.2419 154 D 4.3038 8.1421 117.9246 58.0149 41.0752 177.0640 155 A 3.8241 7.7840 120.1715 55.0877 18.0728 179.1500 156 F 3.9696 7.8848 111.5822 61.0002 39.5352 177.8201 157 Y 4.2210 8.5813 115.7007 61.6474 37.4760 179.1752 158 T 4.0087 7.6785 115.4766 66.1797 68.6929 176.0139 159 L 4.0280 7.8511 122.4930 58.5270 42.0008 178.9233 160 V 3.1092 7.5786 117.5311 66.4903 31.0964 178.3120 161 R 4.0953 7.3331 114.8659 58.7588 30.1287 178.8160 162 E 4.1834 7.8516 118.9902 59.4416 29.2613 179.9838 163 I 3.6620 7.5883 115.2449 62.6269 36.9629 177.1336 *165 Q 4.3425 8.0045 121.1939 56.0527 30.5610 174.8046 166 H 4.3273 8.2036 121.3879 56.2769 29.8241 174.5488 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 1 M 8.30 4.40 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 2 T 8.22 3.51 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 0.93 0.00 0.00 3 E 9.19 4.36 0.00 1.87 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 2.16 2.26 0.00 4 Y 8.33 4.51 0.00 3.15 2.88 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 5 K 8.31 4.38 0.00 1.65 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 6 L 8.31 4.41 0.00 1.65 1.54 1.19 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *7 V 7.80 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 8 V 7.75 4.07 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 0.99 0.00 0.00 0.93 0.00 0.00 9 V 7.05 4.79 2.47 0.00 0.00 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 1.22 0.00 0.00 10 G 7.36 3.22 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 0.00 11 A 7.98 4.77 1.45 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 12 P 0.00 4.54 0.00 2.22 2.14 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 13 G 8.99 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 *14 V 7.69 3.95 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 0.72 0.00 0.00 0.93 0.00 0.00 15 G 8.11 3.99 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 0.00 0.00 0.00 16 K 8.39 3.81 0.00 1.80 1.97 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.53 7.81 17 S 8.36 4.32 0.00 3.83 3.85 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 18 A 7.47 3.95 1.45 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 19 L 7.92 4.13 0.00 1.64 1.81 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.56 4.09 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 0.68 0.00 0.00 21 I 8.18 3.69 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.77 0.00 0.00 *22 Q 8.20 4.19 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 23 L 8.25 4.17 0.00 1.27 1.33 0.75 0.06 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 24 I 7.25 4.07 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 1.02 0.00 0.00 25 Q 8.53 4.36 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.15 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 26 N 8.36 4.84 0.00 2.74 2.82 0.00 0.00 6.97 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 H 7.43 4.75 0.00 3.29 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.82 4.81 0.00 3.00 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 29 V 7.95 3.89 1.90 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 0.56 0.00 0.00 0.88 0.00 0.00 30 D 8.24 4.40 0.00 2.35 2.55 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 31 E 7.58 4.28 0.00 1.92 1.90 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 2.29 2.34 0.00 32 Y 8.38 4.50 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 *33 D 8.19 4.48 0.00 2.48 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 2.41 2.06 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.93 0.00 35 T 8.09 4.82 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 1.35 0.00 0.00 36 I 8.72 4.57 1.89 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 1.31 0.63 0.91 0.00 0.00 37 E 9.32 4.31 0.00 1.95 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 2.26 2.34 0.00 38 D 8.23 4.46 0.00 2.66 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 *39 S 8.19 4.31 0.00 3.60 3.68 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 40 Y 7.71 4.28 0.00 2.99 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 41 R 8.39 5.78 0.00 1.63 1.78 0.00 3.22 0.00 0.00 3.79 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.41 0.00 42 K 8.27 4.60 0.00 1.81 1.56 0.00 1.60 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.49 7.81 43 Q 8.63 4.41 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.38 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 *45 V 8.12 4.14 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 0.79 0.00 0.00 0.94 0.00 0.00 46 I 8.20 4.20 1.54 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.63 0.00 0.00 47 D 9.89 4.49 0.00 2.72 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 48 G 8.25 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 49 E 8.37 4.44 0.00 1.94 1.78 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 2.22 2.24 0.00 50 T 8.54 4.45 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 51 C 8.18 4.88 0.00 3.04 2.90 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 52 L 8.00 4.95 0.00 1.56 1.47 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.81 5.78 0.00 1.57 1.53 0.88 1.12 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 54 D 8.76 5.22 0.00 2.66 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 55 I 8.54 4.79 2.04 0.00 0.00 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 1.19 0.60 1.11 0.00 0.00 *57 D 8.55 4.45 0.00 2.89 2.65 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 0.00 0.00 0.00 0.00 58 T 8.27 4.41 4.14 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 0.00 0.00 0.81 0.00 0.00 59 A 8.52 4.21 1.37 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 0.00 0.00 60 G 8.27 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 *65 S 7.48 4.35 0.00 4.01 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 66 A 7.63 4.26 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 67 M 8.00 4.03 0.00 2.46 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.80 0.00 *69 D 8.31 4.30 0.00 2.81 2.67 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 0.00 0.00 0.00 0.00 70 Q 7.88 3.79 0.00 2.02 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 71 Y 8.17 4.43 0.00 3.08 3.14 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 0.00 0.00 0.00 72 M 6.91 4.77 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 *74 T 7.92 4.21 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 1.25 0.00 0.00 75 G 8.24 3.66 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 0.00 0.00 0.00 *77 G 8.15 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 78 F 8.79 4.80 0.00 3.13 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 79 L 8.85 4.73 0.00 1.76 1.46 0.28 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.87 5.60 0.00 2.96 2.87 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 *82 F 8.67 4.93 0.00 3.25 3.30 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 83 A 8.14 4.87 1.28 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 0.00 0.00 84 I 8.18 4.25 2.01 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 1.36 0.69 0.90 0.00 0.00 85 N 7.87 4.66 0.00 2.93 3.10 0.00 0.00 6.71 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 86 N 7.75 4.44 0.00 2.72 2.84 0.00 0.00 7.27 7.70 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 87 T 8.38 4.07 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 1.17 0.00 0.00 *89 S 7.92 5.14 0.00 4.17 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 0.00 *91 E 8.18 4.24 0.00 2.09 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 2.25 2.49 0.00 92 D 8.03 4.29 0.00 3.00 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 93 I 7.49 3.98 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.25 1.19 0.00 0.00 94 H 7.72 4.75 0.00 3.34 3.62 0.00 5.84 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 95 Q 8.14 3.84 0.00 2.20 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 96 Y 7.54 3.66 0.00 3.25 3.14 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 0.00 0.00 0.00 97 R 8.21 3.77 0.00 1.76 2.01 0.00 2.54 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.31 0.00 98 E 7.83 3.93 0.00 1.97 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 0.00 2.28 2.29 0.00 99 Q 7.98 4.00 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 100 I 7.67 3.48 1.46 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.46 -0.10 0.00 0.00 101 K 7.70 4.05 0.00 1.95 1.82 0.00 1.48 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.44 7.81 102 R 7.59 4.22 0.00 1.83 1.87 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 103 V 7.38 3.81 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 0.76 0.00 0.00 0.90 0.00 0.00 104 K 7.92 4.04 0.00 1.71 1.87 0.00 1.89 0.00 0.00 1.81 0.00 0.00 3.48 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.42 7.81 105 D 7.39 4.54 0.00 2.97 2.73 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 0.00 106 S 7.51 4.58 0.00 4.00 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 0.00 107 D 8.78 4.50 0.00 2.65 2.73 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 0.00 108 D 7.53 4.75 0.00 2.58 2.55 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 0.00 109 V 8.16 4.37 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 0.99 0.00 0.00 110 P 0.00 4.42 0.00 2.13 1.96 0.00 3.70 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.87 0.00 111 M 8.12 5.14 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 112 V 8.81 4.39 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 0.83 0.00 0.00 0.91 0.00 0.00 113 L 9.24 4.53 0.00 2.17 2.01 1.14 1.28 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 0.00 114 V 7.87 4.95 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 0.78 0.00 0.00 0.82 0.00 0.00 115 G 8.18 3.45 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 N 8.67 4.90 0.00 2.64 2.57 0.00 0.00 6.93 5.98 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 0.00 117 K 8.15 4.12 0.00 1.98 1.83 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.38 7.81 118 C 7.72 4.58 0.00 3.04 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 0.00 119 D 7.67 4.38 0.00 2.78 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 0.00 120 L 7.67 4.03 0.00 1.65 1.66 0.93 0.78 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 0.00 121 A 7.75 3.97 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 0.00 122 A 7.74 4.26 1.28 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 0.00 0.00 123 R 7.94 4.55 0.00 1.87 2.00 0.00 3.10 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 *125 V 8.26 3.99 2.39 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 0.88 0.00 0.00 1.02 0.00 0.00 126 E 9.56 4.18 0.00 1.90 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 2.55 2.40 0.00 127 S 9.09 4.18 0.00 4.20 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 0.00 128 R 8.10 3.88 0.00 1.95 1.90 0.00 3.38 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 129 Q 7.88 3.87 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 130 A 7.87 3.58 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.56 3.44 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 132 D 8.21 4.31 0.00 2.93 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 0.00 133 L 7.70 3.63 0.00 1.51 1.59 0.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.46 4.02 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.02 3.82 0.00 1.85 2.15 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 136 S 7.99 4.19 0.00 3.86 3.85 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 0.00 137 Y 8.50 4.68 0.00 3.06 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 0.00 138 G 8.78 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 0.00 0.00 0.00 139 I 7.16 4.77 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.97 0.99 0.00 0.00 140 P 0.00 4.45 0.00 2.12 2.03 0.00 3.72 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 2.13 2.12 0.00 141 Y 8.65 5.17 0.00 3.12 3.14 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 0.00 0.00 0.00 142 I 8.33 4.44 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.74 0.00 0.00 143 E 8.63 4.95 0.00 1.72 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 2.22 2.00 0.00 144 T 7.75 4.51 4.11 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 1.12 0.00 0.00 145 S 8.45 4.45 0.00 3.79 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 0.00 146 A 8.79 4.06 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 0.00 147 K 7.25 2.80 0.00 0.79 1.29 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.04 7.81 148 T 7.40 4.01 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 1.09 0.00 0.00 149 R 7.33 4.05 0.00 2.05 2.01 0.00 3.12 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 150 Q 7.03 3.71 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.11 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 151 G 8.86 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 0.00 152 V 8.13 3.59 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 1.05 0.00 0.00 0.93 0.00 0.00 153 E 7.96 4.27 0.00 1.71 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 0.00 0.00 0.00 2.09 2.19 0.00 154 D 8.14 4.30 0.00 2.79 2.59 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 0.00 155 A 7.78 3.82 0.99 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 0.00 0.00 156 F 7.88 3.97 0.00 3.31 3.30 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 0.00 157 Y 8.58 4.22 0.00 3.04 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 0.00 158 T 7.68 4.01 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 0.00 159 L 7.85 4.03 0.00 1.73 1.92 0.94 0.82 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 0.00 160 V 7.58 3.11 1.91 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 0.11 0.00 0.00 0.31 0.00 0.00 161 R 7.33 4.10 0.00 1.85 1.96 0.00 3.21 0.00 0.00 3.44 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 162 E 7.85 4.18 0.00 2.20 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 2.43 2.51 0.00 163 I 7.59 3.66 2.17 0.00 0.00 1.00 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 0.73 1.09 0.00 0.00 *165 Q 8.00 4.34 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 166 H 8.20 4.33 0.00 3.36 3.38 0.00 5.98 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 * Residues marked with a * may have inaccurate shift predictions.