NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.6141 8.1449 118.3680 57.4571 39.6067 175.1798 4 K 4.0829 8.4668 123.3424 54.9674 33.9129 176.4442 5 L 4.0088 9.4761 126.5179 58.7732 42.4562 179.0237 6 N 4.4803 8.2379 115.5512 56.0279 38.4282 177.5666 7 V 3.6085 7.7838 119.6098 65.7112 31.6936 177.5585 8 L 3.6895 8.0415 120.0793 58.1625 41.8468 178.9094 9 L 3.9409 8.2062 118.8169 57.7785 41.5656 179.3958 10 A 3.9901 8.1999 120.6666 55.3305 18.3345 179.6021 11 E 3.9539 8.4121 117.2188 59.5485 29.4818 179.6988 12 I 3.6968 8.0475 119.9449 64.1554 37.0540 178.2381 13 A 4.0625 8.3333 122.0370 55.2318 18.0789 179.7234 14 L 3.9560 7.9926 117.4841 57.9376 41.6759 179.7720 15 I 3.8503 7.9798 120.0491 64.1883 36.9895 178.6086 16 G 3.7941 8.5312 107.3144 48.1703 0.0000 175.8606 17 T 4.0221 8.1592 111.1852 63.5160 68.8673 175.8199 18 G 4.0462 7.4860 106.2746 44.5672 0.0000 173.4166 19 N 4.7778 6.8997 116.3047 53.0106 39.9474 174.2872 20 H 3.9160 8.0853 112.0307 57.0199 26.6249 175.5685 21 Y 4.7363 7.2288 116.7201 57.0928 37.3885 176.3779 22 H 4.3024 7.8413 120.5430 58.7108 29.4511 177.0832 23 E 4.0282 8.2050 120.7791 59.1181 29.6662 178.5498 24 E 3.9541 8.2521 118.1481 59.3709 29.5776 178.9485 25 A 4.0501 7.9933 120.4908 55.1544 18.3093 179.2413 26 N 4.2827 8.3085 115.6823 56.9606 38.6587 176.9633 27 C 4.9930 8.2567 119.6853 62.4231 28.1264 176.2091 28 I 3.8245 7.8179 120.9540 64.3721 36.6436 178.3106 29 A 4.0221 8.2530 121.7487 55.2235 18.2563 179.5235 30 E 3.9626 8.5968 117.5045 59.1478 29.4541 179.4504 31 W 4.3647 7.9758 128.1212 60.6538 30.8161 178.2139 32 L 3.7142 8.2029 118.9456 57.7254 40.9246 179.1380 33 H 4.2184 8.4995 118.8587 59.0835 29.6093 176.9880 34 L 3.8313 7.4095 120.6023 57.8158 41.9276 178.1950 35 K 4.0677 7.1526 115.5021 55.8524 31.9691 177.6926 36 G 3.7809 7.5062 107.1486 46.5168 0.0000 175.7512 37 E 4.3148 7.8838 121.8686 55.0987 25.9947 176.9083 38 E 3.9914 7.7488 121.3969 59.1900 30.1056 178.7532 39 E 2.5734 7.8915 118.9241 58.6732 29.6803 178.5425 40 A 3.7650 7.6369 120.4273 54.7875 18.4658 179.6119 41 V 3.4319 7.6184 116.9192 66.1926 31.5581 178.0915 42 Q 3.8503 7.9572 119.3766 58.9573 28.7563 177.8515 43 L 3.5094 7.7601 121.5670 58.0714 41.9471 179.0987 44 I 3.6579 7.7778 119.8114 64.1778 36.9427 178.3909 45 R 3.8478 8.0259 119.5459 59.3827 29.7292 178.5087 46 L 3.9811 7.8971 117.7505 57.9432 41.7289 179.1444 47 S 4.3523 8.1064 111.9949 61.3666 62.2156 175.8270 48 S 4.3815 8.3875 116.0636 61.3774 62.0727 176.7529 49 L 4.0225 7.8466 117.9992 55.7821 40.8044 178.5762 *51 N 4.6054 8.0919 117.7566 53.1132 40.3290 175.4126 52 R 4.1635 7.4156 113.8722 55.6969 30.4326 177.3347 53 G 3.4334 7.7748 105.8861 46.1059 0.0000 174.8908 54 D 4.5315 7.5823 121.4870 53.1579 37.7004 176.3624 55 Y 4.2488 7.3256 121.0539 60.8138 38.5107 178.0196 56 A 4.0702 8.0822 121.3947 55.4041 18.6334 179.7430 57 S 4.0862 8.2413 113.0520 61.4300 62.8247 176.7421 58 A 4.0086 8.0356 123.5774 55.1114 18.1617 179.3706 59 L 3.9472 8.4875 119.1592 58.4311 41.9688 178.8759 60 Q 3.9815 8.0175 118.1575 59.4667 29.3980 178.1037 61 Q 4.2645 8.3512 119.1779 58.8070 28.4547 178.8072 62 G 3.7185 8.6380 107.3330 47.6403 0.0000 174.6730 63 N 4.7802 8.2301 115.7018 53.6613 38.8152 176.2269 64 K 4.7146 7.6389 118.6581 55.0967 33.1695 176.0441 65 L 4.2870 7.4109 119.1963 52.9792 44.5729 175.9270 66 A 4.0670 8.3011 128.0535 51.5548 18.1747 176.3582 67 Y 4.5626 8.1593 120.0790 55.6586 40.8377 174.6110 68 P 4.2686 0.0000 0.0000 66.0559 31.2703 178.2495 69 D 4.5909 8.1793 114.8320 56.1286 41.2264 177.4118 70 L 4.4893 7.9549 118.7152 54.5326 42.0490 177.7825 71 E 4.0250 8.0268 120.0764 59.3599 29.3681 177.3870 72 P 3.4388 0.0000 0.0000 65.1145 31.1402 178.6376 73 W 3.9542 8.5544 117.7051 59.6814 28.9534 178.5657 74 L 4.1939 8.0332 118.3518 57.5484 41.0704 179.1714 75 A 4.4124 7.9754 122.4057 54.4972 18.2489 179.4300 76 L 4.0002 8.3359 119.3344 58.3756 42.1363 179.0244 77 C 4.1338 8.2195 116.8168 62.9595 27.6090 175.9523 78 E 4.0223 8.3618 120.1464 59.4074 28.8250 178.8153 79 Y 4.1469 8.3387 119.8627 60.9225 38.7025 178.4037 80 R 3.4977 7.8945 117.6729 58.4016 30.0920 178.2687 81 L 4.2288 7.6461 117.2818 54.3537 42.2709 176.5428 82 G 3.6546 7.4067 106.5228 47.2207 0.0000 175.8342 83 L 4.5631 7.9148 121.4506 52.4270 40.4047 176.6903 84 G 3.6488 8.1275 110.1365 47.6854 0.0000 172.2730 85 S 4.0790 8.0536 115.2577 60.8821 62.4286 175.8528 86 A 3.9946 7.9490 122.9300 55.0379 18.1745 179.0370 87 L 4.0563 7.9845 118.7931 58.4079 42.1797 178.7100 88 E 3.9226 8.3217 119.1865 59.4091 29.6736 178.6461 89 S 4.0881 8.1946 113.0594 61.4837 62.3547 176.1868 90 R 3.9539 8.4230 121.7273 59.4207 29.7603 178.4405 91 L 4.0578 8.4276 119.2925 57.9309 41.3571 179.2951 92 N 4.3462 8.0201 115.7174 56.1884 38.8438 177.1930 93 R 4.0634 7.9785 119.9285 59.4347 30.1537 178.6265 94 L 4.0909 8.4041 118.8880 57.5044 41.3963 179.0775 95 A 4.0823 8.1634 119.9901 54.4188 18.3537 178.9065 96 R 4.1440 7.5589 114.6848 56.2673 30.8356 176.8296 97 S 4.3334 7.5782 114.6571 58.1499 62.9089 174.0533 98 Q 4.1452 8.5235 124.8262 57.2663 29.2869 176.1982 99 D 4.4779 8.2323 119.4669 53.2444 41.9510 174.8110 100 P 4.3400 0.0000 0.0000 66.0377 31.2562 178.6792 101 R 3.9831 8.5368 118.1721 59.1180 29.8464 179.0096 102 I 3.8698 7.7400 119.3049 64.4097 37.1949 178.2317 103 Q 4.0340 8.2336 118.9597 59.3367 28.4521 179.0731 104 T 3.8656 8.1871 116.8202 66.3847 68.2292 176.4517 105 F 4.0143 8.0505 121.6014 61.2977 39.5609 176.8505 106 V 3.5355 7.8806 116.5094 66.1835 31.5847 177.3239 107 N 4.5570 8.3174 116.2108 56.0944 38.2387 178.2901 108 G 3.3362 7.9089 104.5936 45.2552 0.0000 175.4943 *110 R 4.1536 7.9471 121.5562 55.8540 32.4705 177.6702 111 E 3.9098 8.0814 118.4044 59.2438 29.8607 178.3789 112 Q 3.9141 8.0714 118.8556 59.2053 28.9928 177.8562 113 L 4.1937 7.2841 114.6608 56.8719 41.9835 177.2060 114 K 4.1205 7.6180 122.4078 56.6868 31.8677 176.5344 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 Y 8.14 4.61 0.00 2.98 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 4 K 8.47 4.08 0.00 1.95 1.78 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.59 7.81 5 L 9.48 4.01 0.00 1.80 1.76 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.24 4.48 0.00 2.83 2.89 0.00 0.00 6.73 7.68 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 7 V 7.78 3.61 2.36 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 1.24 0.00 0.00 0.98 0.00 0.00 8 L 8.04 3.69 0.00 1.73 1.83 0.42 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.21 3.94 0.00 1.96 1.79 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.20 3.99 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 11 E 8.41 3.95 0.00 2.06 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 2.35 2.54 0.00 12 I 8.05 3.70 1.96 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 1.38 0.56 0.87 0.00 0.00 13 A 8.33 4.06 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 14 L 7.99 3.96 0.00 1.90 1.76 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.98 3.85 2.06 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 1.47 1.01 0.94 0.00 0.00 16 G 8.53 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 0.00 0.00 0.00 17 T 8.16 4.02 4.36 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 1.34 0.00 0.00 18 G 7.49 4.05 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 0.00 19 N 6.90 4.78 0.00 3.00 2.80 0.00 0.00 6.97 8.04 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 20 H 8.09 3.92 0.00 2.83 3.19 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.23 4.74 0.00 3.08 2.98 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 H 7.84 4.30 0.00 3.19 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.20 4.03 0.00 2.12 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 2.40 2.49 0.00 24 E 8.25 3.95 0.00 2.30 1.98 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 2.33 2.43 0.00 25 A 7.99 4.05 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 26 N 8.31 4.28 0.00 2.99 2.99 0.00 0.00 7.18 7.08 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 27 C 8.26 4.99 0.00 3.19 2.98 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 28 I 7.82 3.82 2.07 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 1.48 0.70 1.06 0.00 0.00 29 A 8.25 4.02 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 30 E 8.60 3.96 0.00 2.27 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 0.00 2.36 2.45 0.00 31 W 7.98 4.36 0.00 3.35 3.31 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 32 L 8.20 3.71 0.00 1.82 1.62 0.92 0.86 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 33 H 8.50 4.22 0.00 3.26 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.41 3.83 0.00 1.78 1.61 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.15 4.07 0.00 1.29 1.46 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 0.70 7.81 36 G 7.51 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 0.00 0.00 0.00 37 E 7.88 4.31 0.00 1.96 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 2.16 2.39 0.00 38 E 7.75 3.99 0.00 2.09 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 0.00 2.42 2.37 0.00 39 E 7.89 2.57 0.00 1.65 1.68 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 1.98 1.63 0.00 40 A 7.64 3.77 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 41 V 7.62 3.43 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 0.94 0.00 0.00 1.03 0.00 0.00 42 Q 7.96 3.85 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 43 L 7.76 3.51 0.00 1.31 1.53 0.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.78 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 0.60 0.91 0.00 0.00 45 R 8.03 3.85 0.00 1.95 2.03 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 46 L 7.90 3.98 0.00 1.66 1.80 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.11 4.35 0.00 3.97 4.05 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 48 S 8.39 4.38 0.00 4.03 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 49 L 7.85 4.02 0.00 1.71 1.78 0.98 0.73 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 *51 N 8.09 4.61 0.00 2.96 2.97 0.00 0.00 7.06 7.66 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 52 R 7.42 4.16 0.00 1.93 1.85 0.00 2.71 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 53 G 7.77 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.58 4.53 0.00 2.61 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 7.33 4.25 0.00 3.17 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 56 A 8.08 4.07 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 57 S 8.24 4.09 0.00 4.05 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 58 A 8.04 4.01 1.47 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 0.00 0.00 59 L 8.49 3.95 0.00 2.01 1.88 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.02 3.98 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 61 Q 8.35 4.26 0.00 2.30 2.15 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 2.39 2.52 0.00 62 G 8.64 3.72 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 0.00 0.00 0.00 63 N 8.23 4.78 0.00 2.74 2.89 0.00 0.00 6.92 7.12 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 64 K 7.64 4.71 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.70 7.81 65 L 7.41 4.29 0.00 1.68 1.65 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.30 4.07 1.11 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 0.00 0.00 0.00 67 Y 8.16 4.56 0.00 3.02 2.80 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 68 P 0.00 4.27 0.00 2.19 2.15 0.00 3.65 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 2.20 0.00 69 D 8.18 4.59 0.00 2.82 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 70 L 7.95 4.49 0.00 1.79 1.54 0.57 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.03 4.02 0.00 2.08 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 2.58 2.59 0.00 72 P 0.00 3.44 0.00 1.49 0.49 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 73 W 8.55 3.95 0.00 3.61 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 74 L 8.03 4.19 0.00 1.90 1.79 1.05 0.92 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 75 A 7.98 4.41 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.00 0.00 1.84 1.88 1.00 1.07 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 77 C 8.22 4.13 0.00 3.36 3.11 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 0.00 78 E 8.36 4.02 0.00 2.24 2.05 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 2.37 2.45 0.00 79 Y 8.34 4.15 0.00 3.02 3.11 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 0.00 80 R 7.89 3.50 0.00 0.67 0.99 0.00 3.17 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.35 0.00 81 L 7.65 4.23 0.00 1.66 1.70 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.41 3.65 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 0.00 0.00 0.00 83 L 7.91 4.56 0.00 1.69 1.64 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.13 3.65 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 0.00 0.00 0.00 85 S 8.05 4.08 0.00 3.91 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 86 A 7.95 3.99 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.98 4.06 0.00 1.92 1.89 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.32 3.92 0.00 2.13 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 0.00 2.32 2.38 0.00 89 S 8.19 4.09 0.00 3.95 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 90 R 8.42 3.95 0.00 2.04 2.06 0.00 3.24 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 91 L 8.43 4.06 0.00 1.84 1.71 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.02 4.35 0.00 2.86 2.89 0.00 0.00 7.00 7.82 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 93 R 7.98 4.06 0.00 1.94 2.09 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 94 L 8.40 4.09 0.00 1.82 1.80 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.16 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.56 4.14 0.00 2.05 2.00 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 97 S 7.58 4.33 0.00 3.85 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 98 Q 8.52 4.15 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 99 D 8.23 4.48 0.00 2.75 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 0.00 100 P 0.00 4.34 0.00 2.32 2.31 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 101 R 8.54 3.98 0.00 2.05 2.07 0.00 3.17 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 102 I 7.74 3.87 2.05 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 1.83 0.97 1.05 0.00 0.00 103 Q 8.23 4.03 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 104 T 8.19 3.87 4.44 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 1.22 0.00 0.00 105 F 8.05 4.01 0.00 3.00 3.31 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 0.00 106 V 7.88 3.54 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 0.87 0.00 0.00 1.12 0.00 0.00 107 N 8.32 4.56 0.00 2.86 2.80 0.00 0.00 6.96 7.10 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 0.00 108 G 7.91 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 4.15 0.00 1.96 1.97 0.00 3.10 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 111 E 8.08 3.91 0.00 1.94 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 2.24 2.20 0.00 112 Q 8.07 3.91 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 1.91 2.27 0.00 113 L 7.28 4.19 0.00 1.84 1.72 0.90 1.04 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 0.00 114 K 7.62 4.12 0.00 1.87 1.72 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.58 7.81 * Residues marked with a * may have inaccurate shift predictions.