NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4126 8.3349 116.7903 58.7263 65.1636 174.3268 3 H 4.1559 7.8589 118.0164 54.6497 29.1388 174.0884 4 P 4.5472 0.0000 0.0000 64.6786 32.0323 177.6638 5 D 4.5214 8.0863 117.7703 56.3425 40.6141 177.8042 6 L 3.9498 8.3655 122.0631 58.0500 41.9118 178.4901 7 N 4.3033 8.0945 116.2924 56.1497 38.4287 177.1293 8 K 3.9043 7.9207 120.3064 59.3960 32.4058 178.0080 9 L 4.0266 8.1651 120.8616 58.5543 41.7472 178.9988 10 L 4.1668 7.9790 117.2883 57.8418 41.6046 179.0444 11 E 4.1805 8.3851 117.9854 59.6001 29.7677 179.1685 12 L 4.2351 8.2912 119.1547 57.2209 41.7577 178.9148 13 W 4.1580 8.8622 128.8598 60.3613 30.6066 176.1085 14 P 4.2067 0.0000 0.0000 65.9986 30.7082 178.1769 15 H 4.2956 8.2587 114.8524 58.3667 28.5678 177.9376 16 I 3.5094 7.2977 121.3036 64.2361 36.9482 177.7898 17 Q 3.6744 6.9811 120.2633 59.2189 28.7570 178.2328 18 E 3.8905 7.8766 119.2005 59.7925 29.5408 178.8443 19 Y 3.9583 7.9452 119.3016 60.7412 38.9027 177.9028 20 Q 3.8218 8.2509 120.6679 58.7752 29.1866 177.8110 21 D 4.2519 8.3206 120.7137 57.1972 40.4049 178.2494 22 L 3.8718 7.9312 120.6036 58.1954 41.9020 178.9220 23 A 3.6661 7.7220 120.5851 54.9762 18.1447 179.6000 24 L 3.9698 7.7711 117.3755 57.9287 41.4740 179.6038 25 K 3.8061 7.5744 116.8818 58.9892 31.9224 177.3899 26 H 4.6458 7.4820 113.3600 55.4420 28.9417 175.1278 27 G 3.8340 8.6042 107.4877 45.2033 0.0000 173.8213 28 I 4.3256 7.6026 120.6807 59.2135 38.0516 175.5508 29 N 4.3580 8.6843 124.0628 55.4307 39.0267 175.0474 30 D 4.5623 7.6896 117.1659 52.2059 42.9704 175.4060 31 I 3.6840 8.9779 122.5182 63.2749 37.6736 177.6007 32 F 5.0916 7.8561 117.9660 57.1653 39.0556 175.3249 33 Q 4.5869 7.8174 119.2082 55.4528 32.4809 174.7468 34 D 4.5616 9.6406 118.9214 55.9093 38.7985 173.7235 35 N 4.2063 8.2929 110.2703 54.2612 36.9505 176.7704 36 G 3.9862 8.3027 107.7019 48.3513 0.0000 176.3498 37 G 3.9024 7.8307 105.5684 46.2576 0.0000 175.8346 38 K 4.0087 8.3452 121.6844 59.3589 32.2492 178.6307 39 L 3.9970 7.9537 120.0519 58.5403 41.8510 178.6692 40 L 3.8886 7.8995 119.7201 58.2216 41.9917 179.0686 41 Q 4.0115 8.2419 118.2443 58.5592 28.6825 178.7002 42 V 3.4645 7.7239 118.8286 66.0337 31.7048 177.7179 43 L 3.8995 7.8435 118.6468 58.0551 41.2473 179.7425 44 L 3.9167 7.6560 117.5523 57.6320 41.6144 179.2830 45 I 3.8179 7.3261 118.7324 64.4915 37.0952 178.1489 46 T 4.1321 7.6935 115.5001 63.8901 68.4288 175.8269 47 G 3.7784 8.0274 107.6053 46.1427 0.0000 173.3748 48 L 4.4898 7.5591 119.2492 53.7997 43.7503 176.0529 49 T 4.7515 8.3359 115.6146 61.8224 71.9409 174.4134 50 V 4.2405 8.5287 126.0617 61.4664 32.7167 175.3638 51 L 4.8184 8.4817 123.7192 52.3769 43.3044 174.8145 52 P 4.3379 0.0000 0.0000 62.4479 32.4635 176.4901 53 G 3.1496 8.6627 108.0863 47.6142 0.0000 173.6516 *56 G 3.9194 8.6968 115.0431 43.5504 0.0000 173.7400 57 N 4.9661 7.9234 122.2607 51.3353 41.9798 173.6440 58 D 4.9921 8.3601 115.4632 55.2864 44.2550 175.9321 59 A 5.2480 7.7958 118.3378 50.8291 23.4472 175.2231 60 V 5.1474 8.4863 117.4882 60.6321 35.3695 174.3711 61 D 5.1729 9.0664 123.4626 51.7586 41.8501 176.6019 62 N 4.2012 9.0150 114.9728 56.5453 38.4285 175.8478 63 A 4.4001 8.1986 118.2049 51.8770 18.7457 178.0805 64 G 3.9008 8.4814 106.5210 46.1827 0.0000 174.1101 65 Q 3.9902 8.3820 122.7529 56.1936 29.6908 175.5214 66 E 4.9455 8.6017 126.0731 56.5618 31.0692 175.3053 67 Y 4.8951 8.8079 117.7860 57.0101 43.2331 174.0050 68 E 4.6484 8.5347 120.4065 54.9447 32.0667 175.2189 69 L 4.9141 8.6102 123.9475 53.4865 45.0346 175.7223 70 K 4.8340 9.1096 125.4373 54.7645 36.1982 175.5456 71 S 5.6720 9.0300 118.7455 56.9515 66.7635 173.3062 72 I 4.7400 8.8638 115.1469 59.3247 41.6488 173.4748 73 N 5.3758 8.6212 122.3741 52.2466 39.5123 175.5696 74 I 4.3890 9.0983 127.3288 63.1256 38.6303 177.7492 75 D 4.3595 8.4193 120.0504 57.4260 40.6632 177.7062 76 L 4.2344 7.7168 117.2214 56.9444 42.3475 176.4627 77 T 4.4991 7.2557 111.1541 61.2677 70.5224 173.1725 78 K 4.6183 8.5771 121.3380 55.7124 34.3798 175.8495 79 G 4.4424 7.7731 107.4229 44.1642 0.0000 172.8764 80 F 4.6991 9.2571 123.2904 57.1473 40.2594 175.9532 81 S 4.7667 8.9410 119.7129 58.7113 63.6489 172.5850 82 T 4.7360 9.3716 108.9698 62.2599 70.8313 173.1145 83 H 4.9662 7.5243 119.9503 54.4911 33.3334 173.5092 84 H 4.3248 8.8845 121.2201 57.5311 29.6591 174.6767 85 H 4.9875 7.3865 114.4898 54.3313 28.3471 172.8021 86 M 4.5643 8.5342 118.6217 54.6838 33.9995 176.7675 87 N 4.5772 8.0455 116.7517 49.9238 41.1404 173.2623 88 P 4.0118 0.0000 0.0000 65.0665 31.0691 179.1724 89 V 3.4869 7.9397 117.9213 65.7049 31.4526 177.9361 90 I 3.3887 7.6649 119.0274 64.4849 36.8706 178.3238 91 I 3.5160 7.5253 120.2112 64.0068 36.6379 178.1476 92 A 3.9232 7.9636 121.1790 55.2485 18.4467 179.6297 93 K 4.0195 7.8758 116.6675 59.9226 32.1735 178.9741 94 Y 4.6623 8.3867 117.3233 61.8429 37.6147 179.4624 95 R 3.9157 8.1621 118.2586 59.1348 30.1693 178.6635 96 Q 4.2248 8.1292 116.9085 56.7565 29.0755 176.4028 97 V 4.5220 6.7429 111.5684 58.2253 35.1975 173.4882 98 P 4.9285 0.0000 0.0000 62.9466 32.8882 174.8169 99 W 5.1938 9.5508 120.0979 55.0059 32.8225 174.5898 100 I 4.8736 8.6758 124.2244 59.6099 39.4144 174.6248 101 F 5.1418 9.2227 124.8350 55.6502 42.1483 173.7076 102 A 5.0903 9.5742 126.4987 50.1126 21.6627 175.0757 103 I 4.7069 8.6687 123.8662 60.0151 39.4653 174.6089 104 Y 5.1150 8.9665 125.6545 56.4817 40.7531 175.4386 105 R 4.9360 8.9089 122.4692 54.6390 31.9377 176.3400 106 G 4.0544 8.9581 120.1824 46.3774 0.0000 174.9756 107 I 4.0696 8.5739 118.3513 60.4475 38.7348 175.3197 108 A 4.6622 7.7044 124.8310 51.1489 19.6887 176.4617 109 I 4.4096 8.5259 122.6956 61.4469 38.1260 175.3122 110 E 4.6439 9.2241 125.7476 57.8654 30.8141 175.6339 111 A 4.9909 7.6331 118.2645 51.0258 23.0991 174.9840 112 I 5.0454 8.7161 119.8242 59.8064 41.3871 174.4597 113 Y 5.2596 9.3235 123.2170 56.1406 42.4025 174.2888 114 R 5.2712 9.3095 122.2873 54.6819 33.0475 174.3399 115 L 5.2491 9.2444 125.9038 53.0391 45.3279 176.4130 116 E 4.6937 9.0129 122.2105 54.9404 30.7626 175.9954 117 P 4.3572 0.0000 0.0000 65.9001 31.0146 178.9350 118 K 3.9625 8.0448 117.1054 59.1850 32.2504 177.6304 119 D 4.6066 8.0581 117.0896 55.0144 41.2970 176.5673 120 L 4.4616 7.8213 118.4280 53.4505 43.4282 177.6951 121 E 3.8710 8.1161 119.9828 59.0840 28.8016 177.9914 122 F 3.7097 8.1000 120.2977 61.7708 39.1674 176.6352 123 Y 3.2367 7.1506 115.0169 60.2694 37.6844 177.4709 124 Y 4.2666 7.0513 117.8847 61.0043 37.8491 178.2282 125 D 4.2879 8.2422 120.1053 57.1932 40.9609 178.3752 126 K 3.6983 7.2059 119.5074 59.6854 32.0526 178.7039 127 W 4.5102 8.2274 119.0918 59.7384 29.0407 178.2596 128 E 3.9381 8.4164 119.4883 59.0671 29.1202 178.5536 129 R 4.0771 8.3693 119.0898 59.6676 30.1424 178.1935 130 K 4.1714 8.3159 120.5752 58.7985 32.0954 178.4470 131 W 4.0039 8.5562 128.4857 60.2466 30.4185 177.7278 132 Y 4.2973 8.0152 116.7754 60.9150 37.4552 177.8933 133 S 4.1580 8.6770 114.9348 61.7399 63.1013 176.1176 134 D 4.5463 8.2161 117.1873 54.2824 39.7900 176.2267 135 G 3.6714 8.2148 106.6008 47.2321 0.0000 173.5909 136 H 2.0000 7.7195 111.8348 55.8027 26.1536 175.3182 137 K 4.3887 6.9512 116.4719 54.6582 34.9078 175.4730 138 D 4.9901 8.4417 121.3811 54.4491 41.7872 176.0015 139 I 3.8791 8.4350 124.8226 61.1127 38.2912 174.7028 140 N 5.0676 8.7558 126.8382 51.9885 39.0512 174.5849 141 N 4.3048 8.6391 124.3861 52.2726 37.0246 171.5677 142 P 4.4041 0.0000 0.0000 63.0583 32.3448 177.2068 143 K 4.9931 8.6212 119.4226 54.7883 35.9324 175.4936 144 I 4.1663 8.5435 123.2262 58.5351 39.6304 173.9439 145 P 4.7338 0.0000 0.0000 62.4383 31.9876 177.7403 146 V 3.8561 8.7300 120.5106 66.0248 31.2667 178.7155 147 K 3.9816 8.0236 118.0817 59.0877 32.0064 178.4329 148 Y 3.9110 7.9720 119.8794 60.8510 38.8806 178.6697 149 V 3.4203 7.6305 112.7842 64.5994 31.4345 178.4243 150 M 3.1801 7.8357 117.6339 57.6708 31.7083 178.5023 151 E 3.8932 8.0040 118.8100 59.1362 29.7481 178.0995 152 H 4.6417 7.9561 112.8657 54.5654 29.2758 174.4804 153 G 4.2158 7.2609 109.1072 43.6529 0.0000 172.5119 154 T 4.4322 8.4381 116.0692 62.3012 69.8981 174.5303 155 K 4.4571 8.8196 128.9308 55.7312 32.1479 176.1661 156 I 4.1990 8.3528 121.7728 61.9016 39.0063 175.4668 157 Y 4.2198 7.3562 129.0014 57.9194 38.7431 173.9564 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 2 S 8.33 4.41 0.00 3.79 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 3 H 7.86 4.16 0.00 3.28 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.55 0.00 2.16 2.10 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 5 D 8.09 4.52 0.00 2.69 2.71 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 0.00 0.00 0.00 6 L 8.37 3.95 0.00 1.80 1.72 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.09 4.30 0.00 2.90 2.87 0.00 0.00 6.60 7.33 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 8 K 7.92 3.90 0.00 1.88 1.99 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.58 7.81 9 L 8.17 4.03 0.00 1.82 1.92 1.06 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.98 4.17 0.00 1.88 1.77 0.93 1.28 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 11 E 8.39 4.18 0.00 2.22 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 0.00 2.39 2.40 0.00 12 L 8.29 4.24 0.00 1.95 1.77 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.86 4.16 0.00 3.57 3.19 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 14 P 0.00 4.21 0.00 2.09 2.07 0.00 3.89 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 15 H 8.26 4.30 0.00 3.35 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.30 3.51 1.13 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 1.55 0.45 0.67 0.00 0.00 17 Q 6.98 3.67 0.00 1.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 18 E 7.88 3.89 0.00 2.29 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 2.29 0.00 19 Y 7.95 3.96 0.00 3.10 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 Q 8.25 3.82 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 21 D 8.32 4.25 0.00 2.80 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 22 L 7.93 3.87 0.00 1.78 1.63 0.90 0.93 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 23 A 7.72 3.67 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 24 L 7.77 3.97 0.00 1.85 1.68 0.88 0.83 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 25 K 7.57 3.81 0.00 1.89 1.70 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 26 H 7.48 4.65 0.00 3.02 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.60 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.60 4.33 1.90 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 1.26 0.66 0.84 0.00 0.00 29 N 8.68 4.36 0.00 2.67 2.86 0.00 0.00 6.85 8.06 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 30 D 7.69 4.56 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.98 3.68 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 0.75 0.00 0.00 32 F 7.86 5.09 0.00 3.23 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 33 Q 7.82 4.59 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.19 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 34 D 9.64 4.56 0.00 2.77 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 35 N 8.29 4.21 0.00 2.88 2.78 0.00 0.00 6.83 7.61 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 36 G 8.30 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 37 G 7.83 3.90 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 0.00 0.00 0.00 38 K 8.35 4.01 0.00 1.73 1.04 0.00 1.56 0.00 0.00 1.08 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.80 1.22 7.81 39 L 7.95 4.00 0.00 1.76 1.86 0.95 0.49 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 40 L 7.90 3.89 0.00 1.65 1.54 0.69 0.07 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 41 Q 8.24 4.01 0.00 2.41 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.59 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 42 V 7.72 3.46 2.21 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 1.01 0.00 0.00 0.98 0.00 0.00 43 L 7.84 3.90 0.00 1.60 1.62 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.66 3.92 0.00 1.54 1.65 0.84 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.33 3.82 1.64 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.38 0.70 0.00 0.00 46 T 7.69 4.13 4.47 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 1.15 0.00 0.00 47 G 8.03 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 48 L 7.56 4.49 0.00 1.44 1.54 0.56 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.34 4.75 4.25 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 1.21 0.00 0.00 50 V 8.53 4.24 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 0.68 0.00 0.00 0.96 0.00 0.00 51 L 8.48 4.82 0.00 1.62 1.61 0.92 0.98 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 52 P 0.00 4.34 0.00 2.06 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 53 G 8.66 3.15 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 0.00 0.00 0.00 0.00 *56 G 8.70 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 57 N 7.92 4.97 0.00 2.84 2.99 0.00 0.00 6.65 8.06 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 58 D 8.36 4.99 0.00 2.50 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 59 A 7.80 5.25 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 0.00 0.00 0.00 0.00 0.00 60 V 8.49 5.15 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 0.75 0.00 0.00 0.97 0.00 0.00 61 D 9.07 5.17 0.00 2.88 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 62 N 9.01 4.20 0.00 2.75 2.97 0.00 0.00 6.75 7.35 0.00 0.00 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 A 8.20 4.40 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 3.90 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 0.00 0.00 0.00 65 Q 8.38 3.99 0.00 2.15 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.84 0.00 0.00 0.00 0.00 0.00 1.99 1.50 0.00 66 E 8.60 4.95 0.00 1.83 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 2.30 2.31 0.00 67 Y 8.81 4.90 0.00 2.81 2.71 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 0.00 0.00 0.00 68 E 8.53 4.65 0.00 1.16 1.12 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 1.72 1.47 0.00 69 L 8.61 4.91 0.00 1.42 1.51 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 K 9.11 4.83 0.00 1.50 1.96 0.00 1.91 0.00 0.00 1.58 0.00 0.00 2.49 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.97 1.66 7.81 71 S 9.03 5.67 0.00 3.93 4.12 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 0.00 0.00 0.00 72 I 8.86 4.74 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 1.01 0.50 0.00 0.00 73 N 8.62 5.38 0.00 2.95 2.79 0.00 0.00 6.63 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 74 I 9.10 4.39 1.90 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 1.32 2.47 1.01 0.00 0.00 75 D 8.42 4.36 0.00 2.75 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 76 L 7.72 4.23 0.00 1.75 1.73 0.93 0.73 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 77 T 7.26 4.50 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 1.19 0.00 0.00 78 K 8.58 4.62 0.00 1.66 1.73 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.34 7.81 79 G 7.77 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 0.00 0.00 0.00 0.00 80 F 9.26 4.70 0.00 3.27 3.28 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 81 S 8.94 4.77 0.00 3.88 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 82 T 9.37 4.74 4.64 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 1.53 0.00 0.00 83 H 7.52 4.97 0.00 3.41 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.88 4.32 0.00 3.08 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.39 4.99 0.00 2.93 3.21 0.00 5.69 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 86 M 8.53 4.56 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.21 0.00 87 N 8.05 4.58 0.00 2.02 2.83 0.00 0.00 6.14 7.76 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 88 P 0.00 4.01 0.00 1.68 1.85 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.44 0.00 89 V 7.94 3.49 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 0.94 0.00 0.00 0.79 0.00 0.00 90 I 7.66 3.39 1.51 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 1.62 0.60 -0.08 0.00 0.00 91 I 7.53 3.52 1.88 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 1.68 0.67 0.79 0.00 0.00 92 A 7.96 3.92 1.27 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 0.00 0.00 93 K 7.88 4.02 0.00 1.91 1.87 0.00 1.63 0.00 0.00 1.51 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.61 7.81 94 Y 8.39 4.66 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.92 0.00 1.85 2.01 0.00 3.12 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.70 0.00 96 Q 8.13 4.22 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 97 V 6.74 4.52 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 0.69 0.00 0.00 0.97 0.00 0.00 98 P 0.00 4.93 0.00 2.35 2.48 0.00 3.53 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 1.61 1.85 0.00 99 W 9.55 5.19 0.00 3.14 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 0.00 100 I 8.68 4.87 1.81 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 1.23 0.72 0.83 0.00 0.00 101 F 9.22 5.14 0.00 2.87 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 0.00 102 A 9.57 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.67 4.71 2.12 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.06 1.03 0.00 0.00 104 Y 8.97 5.11 0.00 2.91 3.01 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 0.00 105 R 8.91 4.94 0.00 1.83 1.89 0.00 3.35 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 106 G 8.96 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 0.00 107 I 8.57 4.07 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 1.34 0.71 0.89 0.00 0.00 108 A 7.70 4.66 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 0.00 109 I 8.53 4.41 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.68 0.00 0.00 110 E 9.22 4.64 0.00 2.01 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 2.31 2.30 0.00 111 A 7.63 4.99 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 0.00 112 I 8.72 5.05 1.85 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 1.16 0.94 0.91 0.00 0.00 113 Y 9.32 5.26 0.00 2.96 2.85 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 0.00 114 R 9.31 5.27 0.00 1.93 1.86 0.00 3.19 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 115 L 9.24 5.25 0.00 1.76 1.59 0.92 1.13 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 0.00 116 E 9.01 4.69 0.00 2.17 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 0.00 2.37 2.46 0.00 117 P 0.00 4.36 0.00 2.24 2.45 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 118 K 8.04 3.96 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 119 D 8.06 4.61 0.00 2.84 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 0.00 120 L 7.82 4.46 0.00 1.15 0.45 0.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.12 3.87 0.00 2.03 1.95 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 2.41 2.49 0.00 122 F 8.10 3.71 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.15 3.24 0.00 1.85 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 0.00 124 Y 7.05 4.27 0.00 2.90 2.94 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 0.00 125 D 8.24 4.29 0.00 2.62 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 0.00 126 K 7.21 3.70 0.00 1.40 1.60 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.43 1.32 7.81 127 W 8.23 4.51 0.00 3.64 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 0.00 128 E 8.42 3.94 0.00 2.29 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 0.00 2.44 2.22 0.00 129 R 8.37 4.08 0.00 2.19 1.98 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 130 K 8.32 4.17 0.00 2.04 2.20 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 131 W 8.56 4.00 0.00 3.42 3.03 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 0.00 132 Y 8.02 4.30 0.00 3.41 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 0.00 133 S 8.68 4.16 0.00 3.99 4.20 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 0.00 134 D 8.22 4.55 0.00 2.61 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 0.00 135 G 8.21 3.67 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 0.00 0.00 0.00 136 H 7.72 2.00 0.00 2.91 2.68 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.95 4.39 0.00 1.73 1.63 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.24 7.81 138 D 8.44 4.99 0.00 2.57 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 0.00 139 I 8.43 3.88 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.68 0.83 0.00 0.00 140 N 8.76 5.07 0.00 2.63 2.69 0.00 0.00 7.54 7.79 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 0.00 141 N 8.64 4.30 0.00 2.27 2.51 0.00 0.00 7.36 7.69 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 0.00 142 P 0.00 4.40 0.00 1.59 1.73 0.00 3.44 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.05 0.00 143 K 8.62 4.99 0.00 1.66 1.78 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.44 7.81 144 I 8.54 4.17 1.98 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 0.57 0.89 0.55 0.00 0.00 145 P 0.00 4.73 0.00 2.29 2.23 0.00 3.41 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 2.07 0.00 146 V 8.73 3.86 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 1.18 0.00 0.00 0.83 0.00 0.00 147 K 8.02 3.98 0.00 1.91 1.82 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.54 7.81 148 Y 7.97 3.91 0.00 3.05 3.03 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 0.00 149 V 7.63 3.42 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 0.08 0.00 0.00 0.64 0.00 0.00 150 M 7.84 3.18 0.00 1.70 1.92 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.22 0.00 151 E 8.00 3.89 0.00 1.62 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 2.14 2.28 0.00 152 H 7.96 4.64 0.00 2.59 3.01 0.00 5.60 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 0.00 153 G 7.26 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 0.00 0.00 0.00 0.00 154 T 8.44 4.43 4.33 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 1.25 0.00 0.00 155 K 8.82 4.46 0.00 1.83 1.75 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.20 7.81 156 I 8.35 4.20 1.87 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 1.17 0.74 0.97 0.00 0.00 157 Y 7.36 4.22 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.