NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Q 4.3430 8.3293 119.6992 56.2158 29.7013 173.7685 9 S 4.9108 8.5483 116.8754 57.6673 65.6201 168.9122 10 V 4.7299 9.1779 113.6239 59.9655 36.4705 175.5269 11 Q 5.6607 8.6159 122.3759 54.2170 33.3619 173.5149 12 V 4.3126 7.7561 118.5828 60.9982 33.9137 173.7793 13 F 3.7395 9.3767 126.0179 60.5206 39.7278 172.8639 14 G 3.9672 8.6542 115.5810 45.1319 0.0000 172.3963 15 R 5.2102 8.4425 120.1554 54.4464 32.9320 174.4678 16 K 4.5916 8.8257 120.3863 56.0655 36.5101 175.5590 17 K 3.5761 8.3006 126.3679 58.3808 32.1089 178.0293 18 T 4.7260 8.4151 98.4151 59.1202 67.2093 171.9999 19 A 4.7695 8.7447 128.1972 51.4865 23.9477 175.3772 20 T 5.0602 8.6581 114.8075 60.1338 70.8232 172.7969 21 A 5.3456 8.6063 129.3867 49.2227 21.5905 175.9245 22 V 3.9257 8.2480 115.8548 61.4675 33.3378 175.3064 23 A 4.9122 8.9491 127.2199 50.5881 21.7552 174.8363 24 H 5.0285 9.2067 121.3648 54.1660 29.7850 173.5663 25 C 4.6295 9.1136 121.6468 59.7039 29.5227 172.8244 26 K 4.9055 8.9185 120.5569 54.8920 36.9801 175.2750 27 R 4.1940 8.6423 122.4129 55.9676 30.7694 176.7247 28 G 4.4563 7.6376 110.8538 46.2450 0.0000 171.6549 29 N 4.2537 8.1876 116.9767 57.8319 39.0518 176.5937 30 G 3.6434 8.1904 102.7163 44.8785 0.0000 173.6438 31 L 4.3957 7.6116 121.7307 55.4357 42.3845 175.8869 32 I 4.9195 8.1817 112.9160 59.1265 41.2966 173.9387 33 K 4.8336 8.8858 124.7173 54.6857 34.9094 175.0774 34 V 4.5184 8.9106 126.2355 61.3496 33.6841 175.3735 35 N 4.2418 9.6747 125.5317 54.4089 36.4523 175.6911 36 G 3.9289 8.5407 104.9898 45.5256 0.0000 174.0827 37 R 4.6797 7.7884 118.7282 53.2041 33.2033 173.7959 38 P 4.7345 0.0000 0.0000 62.2190 32.4161 177.6101 39 L 3.9641 8.5090 123.1723 58.5944 41.7053 179.6106 40 E 4.0283 8.0888 117.0538 59.4423 29.5059 178.5058 41 M 4.1697 7.8518 117.7330 58.5828 32.3880 177.8532 42 I 3.8809 7.6001 117.3908 64.0710 38.5867 177.2042 43 E 4.1527 8.2391 118.5519 56.5809 29.4880 175.1769 44 P 4.2653 0.0000 0.0000 64.4999 31.4101 176.1208 45 R 3.9017 8.8129 117.3152 57.0455 27.5037 176.0402 46 T 4.4956 7.6312 113.9145 61.8312 71.1304 174.7144 47 L 4.3005 8.4617 127.6587 54.2443 40.6220 177.4590 48 Q 4.5120 7.8579 129.5670 55.2096 28.8440 177.0576 49 Y 3.9619 7.7314 120.4864 60.5434 39.2284 176.4348 50 K 3.8914 8.1951 119.4619 59.3435 31.9125 178.6672 51 L 3.8435 7.4361 120.1334 58.9019 40.0769 179.2291 52 L 3.9944 7.5231 118.7546 56.1511 41.4593 178.4875 53 E 3.7782 7.8978 120.8471 58.9108 29.5179 176.9210 54 P 4.9951 0.0000 0.0000 65.4763 30.8913 178.7804 55 V 3.5674 8.0106 112.4394 64.1131 31.5673 178.1890 56 L 3.9168 7.7489 119.6711 58.0392 41.7931 178.5910 57 L 3.7139 7.7398 119.2075 57.3116 41.9648 177.9941 58 L 4.0412 6.9191 119.4268 57.1787 41.8789 176.5908 59 G 4.3800 7.8088 108.1466 46.1807 0.0000 175.2728 60 K 4.0338 7.8917 117.6321 56.9681 32.5180 176.6837 61 E 4.4666 8.1100 115.9223 56.1654 26.5414 175.1239 62 R 3.8951 7.8660 118.1949 57.2417 30.6053 173.9246 63 F 4.8019 8.7147 126.0177 59.5643 46.5539 175.9944 64 A 4.2506 7.8051 121.3539 54.6010 18.8034 178.8808 65 G 3.7322 8.3348 103.1079 48.8837 0.0000 174.2926 66 V 5.0499 7.4793 112.6364 58.9218 35.9141 174.3091 67 D 5.1819 9.3134 121.8058 51.5250 42.8401 174.7734 68 I 5.0180 8.0992 112.9898 59.2654 41.3002 173.7964 69 R 4.9240 8.5902 125.1068 54.9931 32.3280 175.2777 70 V 5.0075 9.1248 118.2803 59.6701 36.3967 174.1907 71 R 4.9447 8.9267 124.6354 54.6531 32.6333 174.9414 72 V 4.9300 8.3091 124.9264 61.2814 34.9603 174.2288 73 K 4.4681 8.9215 127.8225 56.3054 35.8607 176.1427 74 G 4.1431 8.8674 112.9326 46.9688 0.0000 175.1838 75 G 3.8027 8.5076 107.5392 46.2232 0.0000 172.6217 76 G 4.3031 8.1660 107.8614 42.4708 0.0000 172.6644 77 H 4.3293 8.7678 116.2661 58.7987 28.1292 178.6145 78 V 3.6260 7.8429 113.6276 64.3972 31.5381 178.3031 79 A 4.3367 8.0971 120.3030 55.2283 18.3551 179.4693 80 Q 3.9933 8.5473 116.6714 59.4899 28.5674 178.8292 81 I 3.6121 7.8190 121.6811 64.3231 37.0731 178.0115 82 Y 4.0120 7.4993 116.6485 60.9558 37.7229 178.3901 83 A 4.0725 8.1505 121.6759 55.3496 18.4574 179.6761 84 I 3.7642 8.2381 120.0042 63.9268 37.1402 178.6223 85 R 4.2633 7.8622 120.9185 58.8131 29.7772 178.4429 86 Q 3.9967 8.1287 119.7325 59.0015 28.5956 178.0912 87 S 4.1392 8.4692 115.7397 61.7843 62.9399 176.5520 88 I 3.7169 8.0841 124.6649 63.7091 36.6171 178.5265 89 S 4.1378 7.8993 113.8834 61.5170 63.0195 176.5035 90 K 4.1513 8.4954 122.2685 58.9833 31.8646 179.1819 91 A 4.3316 8.3315 122.8466 54.6987 18.4042 179.5695 92 L 3.9635 8.0524 117.4312 57.9474 41.4613 180.0345 93 V 3.8705 7.9231 118.0630 65.9634 31.2779 177.9457 94 A 4.0393 7.9577 118.9992 55.2076 18.3585 178.4501 95 Y 4.2352 8.0777 116.9728 59.4205 39.4812 175.9903 96 Y 4.7066 8.3003 120.3036 55.9875 42.2025 175.5934 97 Q 4.3985 8.2604 125.8579 58.2590 29.1299 178.5372 98 K 3.8550 7.4816 117.8675 58.8438 32.4133 175.2419 99 Y 4.2217 7.4593 115.7899 58.4668 37.7780 176.3847 100 V 4.3534 8.3286 123.8134 62.2080 32.9368 176.2237 101 D 4.7816 9.2208 121.9921 54.4076 39.0380 174.1752 102 E 4.5499 7.8002 119.7924 55.9571 34.1213 174.2442 103 A 4.2752 8.8000 121.5459 52.6361 17.9676 176.5120 104 S 5.2913 8.5449 113.7261 57.4027 66.0754 175.5913 105 K 4.0249 8.7272 124.2263 59.6849 32.2335 179.1153 106 K 4.2963 8.0825 117.8153 59.8013 32.2476 179.1308 107 E 3.9870 8.2233 117.7701 59.5507 29.4013 179.1937 108 I 3.9913 7.6926 119.3635 63.3974 38.0042 177.7155 109 K 4.0186 7.6826 118.9841 58.7220 32.4402 176.9599 110 D 4.6876 7.6051 117.1465 53.4925 42.6320 176.9229 111 I 4.3744 7.7418 120.8337 60.0633 36.6794 175.0958 112 L 4.0794 7.7865 125.0335 57.0834 42.5803 175.9363 113 I 4.6227 7.3096 110.2463 58.3824 40.4091 176.0789 114 Q 3.9634 8.5350 118.7807 59.1104 28.5709 177.3685 115 Y 4.2806 6.9901 113.3802 57.2693 36.0156 174.6309 116 D 4.6278 8.0655 118.8036 54.2720 41.9403 176.7595 117 R 3.9039 8.1609 118.5884 58.7508 30.4981 175.9542 118 T 3.7293 7.9735 111.9603 63.7759 65.1890 172.8609 119 L 3.9926 7.7561 122.1394 57.5150 42.9463 176.8033 120 L 4.0427 7.0348 117.7374 54.4114 42.1313 176.1481 *122 A 3.9403 8.1654 121.9655 51.7315 19.2753 176.0447 123 D 4.3777 8.6853 123.2980 53.7896 41.2487 174.3680 124 P 4.4210 0.0000 0.0000 64.3826 31.9915 177.0656 125 R 4.1229 8.9269 117.7526 56.1041 29.9042 176.1878 126 R 4.6696 8.0298 115.8669 54.4907 32.4857 174.4354 127 C 4.3014 8.5825 118.8242 59.4965 28.7124 173.4553 128 E 4.2475 8.5882 123.2853 55.3606 30.2670 176.7929 129 S 4.1029 8.4022 116.3350 58.2028 63.5994 173.9641 130 K 4.1469 8.4435 124.6897 55.6472 31.6450 176.5777 131 K 4.2160 8.3012 126.4974 55.7093 33.0688 177.2318 132 F 4.4747 8.0449 116.9090 57.4611 38.8867 176.6151 133 G 4.1884 9.9097 110.7008 45.2892 0.0000 173.8010 134 G 4.1755 7.2389 105.8849 42.9418 0.0000 170.3137 135 P 4.4264 0.0000 0.0000 63.1262 32.4088 176.2703 136 G 3.7755 8.7964 110.7459 44.8000 0.0000 174.9400 137 A 3.9253 8.0950 120.4114 52.4763 16.7416 178.3350 138 R 4.3520 7.2797 111.9330 56.5705 33.4710 175.1254 139 A 3.9867 7.9431 121.2046 53.0267 19.1666 176.9613 140 R 4.5549 8.3914 121.6952 54.5878 31.9274 175.1779 141 Y 4.2855 8.5025 123.4193 56.4117 39.8913 174.4654 142 Q 4.6268 7.6898 125.6868 54.1055 30.8701 174.9076 143 K 4.6594 7.8985 120.2791 54.8685 34.7256 175.9758 144 S 4.3501 7.8373 114.7347 58.8583 65.5233 175.1804 145 Y 4.2636 8.6891 117.9339 57.1331 36.5863 175.8926 146 R 4.2327 8.2524 122.3964 56.1478 30.3698 176.8066 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 8 Q 8.33 4.34 0.00 2.09 2.10 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 2.27 2.36 0.00 9 S 8.55 4.91 0.00 3.99 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 10 V 9.18 4.73 2.20 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 1.03 0.00 0.00 1.06 0.00 0.00 11 Q 8.62 5.66 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.24 1.98 0.00 12 V 7.76 4.31 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 0.80 0.00 0.00 1.01 0.00 0.00 13 F 9.38 3.74 0.00 3.12 3.10 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 14 G 8.65 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 15 R 8.44 5.21 0.00 2.14 2.26 0.00 3.09 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 16 K 8.83 4.59 0.00 1.90 1.91 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.40 7.81 17 K 8.30 3.58 0.00 1.88 1.20 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 18 T 8.42 4.73 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 1.23 0.00 0.00 19 A 8.74 4.77 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 20 T 8.66 5.06 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 1.10 0.00 0.00 21 A 8.61 5.35 1.14 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 0.00 0.00 22 V 8.25 3.93 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 0.51 0.00 0.00 0.97 0.00 0.00 23 A 8.95 4.91 1.17 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 0.00 0.00 0.00 0.00 0.00 24 H 9.21 5.03 0.00 3.08 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 C 9.11 4.63 0.00 2.88 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 26 K 8.92 4.91 0.00 1.96 1.64 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.54 7.81 27 R 8.64 4.19 0.00 1.84 1.83 0.00 3.35 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 28 G 7.64 4.46 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 29 N 8.19 4.25 0.00 2.72 2.75 0.00 0.00 6.96 8.25 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 30 G 8.19 3.64 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 0.00 0.00 0.00 31 L 7.61 4.40 0.00 1.70 1.76 0.89 0.41 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 32 I 8.18 4.92 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.80 0.00 0.00 33 K 8.89 4.83 0.00 1.65 1.71 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.30 1.45 7.81 34 V 8.91 4.52 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 0.98 0.00 0.00 0.91 0.00 0.00 35 N 9.67 4.24 0.00 2.90 2.86 0.00 0.00 7.16 6.93 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 36 G 8.54 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 0.00 0.00 0.00 0.00 37 R 7.79 4.68 0.00 1.90 1.81 0.00 3.29 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 38 P 0.00 4.73 0.00 2.18 1.97 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 39 L 8.51 3.96 0.00 1.72 1.70 0.96 1.01 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 40 E 8.09 4.03 0.00 1.99 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 2.34 2.40 0.00 41 M 7.85 4.17 0.00 2.20 2.09 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 2.62 2.59 0.00 42 I 7.60 3.88 1.87 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 1.60 0.82 0.97 0.00 0.00 43 E 8.24 4.15 0.00 2.28 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 2.29 2.50 0.00 44 P 0.00 4.27 0.00 2.17 2.09 0.00 4.04 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 1.99 2.12 0.00 45 R 8.81 3.90 0.00 1.98 2.09 0.00 3.31 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 46 T 7.63 4.50 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 1.20 0.00 0.00 47 L 8.46 4.30 0.00 1.65 1.67 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.86 4.51 0.00 2.50 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 49 Y 7.73 3.96 0.00 3.06 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 50 K 8.20 3.89 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.59 1.56 7.81 51 L 7.44 3.84 0.00 1.75 1.96 0.79 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.52 3.99 0.00 1.04 1.40 0.77 0.92 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 53 E 7.90 3.78 0.00 2.05 1.94 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 2.33 2.33 0.00 54 P 0.00 5.00 0.00 2.25 2.28 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 55 V 8.01 3.57 2.46 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 0.75 0.00 0.00 1.09 0.00 0.00 56 L 7.75 3.92 0.00 1.66 1.93 0.84 0.63 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 57 L 7.74 3.71 0.00 1.51 1.78 -1.06 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 58 L 6.92 4.04 0.00 1.74 1.85 1.09 1.21 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 59 G 7.81 4.38 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 0.00 60 K 7.89 4.03 0.00 1.78 1.92 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.57 7.81 61 E 8.11 4.47 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 2.36 2.35 0.00 62 R 7.87 3.90 0.00 1.64 1.67 0.00 2.90 0.00 0.00 2.91 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 63 F 8.71 4.80 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 64 A 7.81 4.25 1.34 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 65 G 8.33 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 66 V 7.48 5.05 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 0.58 0.00 0.00 0.74 0.00 0.00 67 D 9.31 5.18 0.00 2.71 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 68 I 8.10 5.02 1.83 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 1.01 0.84 0.82 0.00 0.00 69 R 8.59 4.92 0.00 1.89 1.77 0.00 2.97 0.00 0.00 3.08 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 70 V 9.12 5.01 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 0.72 0.00 0.00 1.01 0.00 0.00 71 R 8.93 4.94 0.00 1.83 1.70 0.00 3.02 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 72 V 8.31 4.93 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 0.82 0.00 0.00 0.88 0.00 0.00 73 K 8.92 4.47 0.00 1.83 1.54 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.38 7.81 74 G 8.87 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 0.00 0.00 0.00 0.00 75 G 8.51 3.80 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 0.00 0.00 0.00 76 G 8.17 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 0.00 0.00 0.00 0.00 77 H 8.77 4.33 0.00 3.23 3.38 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.84 3.63 2.28 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 0.97 0.00 0.00 1.03 0.00 0.00 79 A 8.10 4.34 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.55 3.99 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 81 I 7.82 3.61 1.62 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 1.75 0.90 0.66 0.00 0.00 82 Y 7.50 4.01 0.00 3.26 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 83 A 8.15 4.07 1.48 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 0.00 0.00 84 I 8.24 3.76 1.96 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.37 0.87 0.00 0.00 85 R 7.86 4.26 0.00 1.98 2.11 0.00 3.20 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 86 Q 8.13 4.00 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 87 S 8.47 4.14 0.00 4.19 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 88 I 8.08 3.72 1.84 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 1.54 1.01 0.86 0.00 0.00 89 S 7.90 4.14 0.00 4.06 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 90 K 8.50 4.15 0.00 1.85 1.94 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.49 7.81 91 A 8.33 4.33 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 92 L 8.05 3.96 0.00 1.87 1.61 0.92 0.32 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 93 V 7.92 3.87 2.31 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 1.05 0.00 0.00 1.00 0.00 0.00 94 A 7.96 4.04 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 95 Y 8.08 4.24 0.00 3.21 3.61 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 96 Y 8.30 4.71 0.00 2.90 2.20 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 0.00 97 Q 8.26 4.40 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 98 K 7.48 3.86 0.00 1.54 2.20 0.00 2.16 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.52 7.81 99 Y 7.46 4.22 0.00 3.48 2.92 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 0.00 100 V 8.33 4.35 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 1.35 0.00 0.00 1.08 0.00 0.00 101 D 9.22 4.78 0.00 3.14 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 0.00 102 E 7.80 4.55 0.00 2.09 1.66 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 2.24 2.12 0.00 103 A 8.80 4.28 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 0.00 104 S 8.54 5.29 0.00 4.07 3.84 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 0.00 0.00 0.00 105 K 8.73 4.02 0.00 1.79 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.48 7.81 106 K 8.08 4.30 0.00 1.84 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.47 7.81 107 E 8.22 3.99 0.00 2.44 2.15 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 2.54 2.49 0.00 108 I 7.69 3.99 2.06 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 2.01 2.06 1.01 0.00 0.00 109 K 7.68 4.02 0.00 1.79 2.20 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.50 7.81 110 D 7.61 4.69 0.00 2.84 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 0.00 111 I 7.74 4.37 2.29 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 1.08 0.92 0.00 0.00 112 L 7.79 4.08 0.00 1.67 1.72 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.31 4.62 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.21 1.00 0.00 0.00 114 Q 8.54 3.96 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.49 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 115 Y 6.99 4.28 0.00 3.13 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 0.00 116 D 8.07 4.63 0.00 2.62 2.68 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 0.00 117 R 8.16 3.90 0.00 1.95 2.07 0.00 3.51 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 1.75 0.00 118 T 7.97 3.73 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 1.24 0.00 0.00 119 L 7.76 3.99 0.00 1.61 1.73 0.97 1.10 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 0.00 120 L 7.03 4.04 0.00 1.68 1.63 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *122 A 8.17 3.94 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 0.00 123 D 8.69 4.38 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 0.00 124 P 0.00 4.42 0.00 2.20 2.14 0.00 3.81 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 1.97 1.93 0.00 125 R 8.93 4.12 0.00 1.89 1.97 0.00 3.04 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.57 0.00 126 R 8.03 4.67 0.00 1.88 1.88 0.00 3.03 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 127 C 8.58 4.30 0.00 2.99 2.93 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 0.00 128 E 8.59 4.25 0.00 2.07 1.94 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 2.27 2.29 0.00 129 S 8.40 4.10 0.00 4.01 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 0.00 130 K 8.44 4.15 0.00 1.75 1.81 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.42 7.81 131 K 8.30 4.22 0.00 1.62 1.38 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.38 7.81 132 F 8.04 4.47 0.00 3.31 3.23 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 0.00 133 G 9.91 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 0.00 134 G 7.24 4.18 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 0.00 135 P 0.00 4.43 0.00 2.23 2.08 0.00 3.97 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 136 G 8.80 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 0.00 137 A 8.09 3.93 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 0.00 0.00 0.00 0.00 0.00 138 R 7.28 4.35 0.00 1.76 1.77 0.00 3.18 0.00 0.00 3.22 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 139 A 7.94 3.99 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 0.00 140 R 8.39 4.55 0.00 1.79 1.87 0.00 3.18 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 141 Y 8.50 4.29 0.00 2.94 2.91 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 0.00 142 Q 7.69 4.63 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.47 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 143 K 7.90 4.66 0.00 1.73 1.70 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.57 7.81 144 S 7.84 4.35 0.00 3.76 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 0.00 145 Y 8.69 4.26 0.00 3.00 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 0.00 146 R 8.25 4.23 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.