NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 4.0086 8.3393 109.7238 45.8640 0.0000 172.9899 20 S 4.5338 8.7327 113.4982 56.8757 63.2043 173.0162 21 L 4.3519 8.9217 122.1666 55.7173 43.2175 178.1228 22 L 4.7023 8.8573 123.5835 52.2844 43.6470 174.9334 23 P 4.4398 0.0000 0.0000 61.8968 31.9818 176.5409 24 R 3.8804 8.5007 120.2892 56.7304 30.2710 176.5672 25 L 4.1942 8.3353 124.6151 53.7940 42.3356 175.2299 26 P 4.4097 0.0000 0.0000 62.5605 31.8175 176.5517 27 S 4.4072 8.5081 115.5785 58.3892 63.7106 173.2304 28 E 4.6620 8.4047 121.4941 53.5587 32.0642 174.2905 29 P 4.1687 0.0000 0.0000 64.2845 31.8838 176.1903 30 G 3.6291 8.4912 110.2375 46.9542 0.0000 173.4587 *32 T 4.4209 7.6116 114.2471 63.1013 70.6072 173.5982 33 L 5.0380 8.5511 124.8953 52.8006 45.2746 174.9809 34 L 5.1286 8.4654 124.1311 53.6725 44.8478 174.7204 35 T 5.1165 8.7823 122.9593 61.9041 71.1424 173.2730 36 L 5.1094 8.9107 126.9091 53.3312 44.2394 175.7284 37 T 4.6800 9.0591 122.5051 62.9374 70.0562 174.2471 38 I 4.2832 9.0299 129.0005 60.6937 37.8132 176.4669 39 E 4.2639 9.3096 128.2555 57.9671 30.0326 177.0153 40 K 5.1914 7.6527 115.9204 56.2186 36.3539 173.1866 41 I 4.9858 9.0113 121.0840 59.1973 41.0318 174.2494 42 G 3.5379 9.1207 117.5678 45.3642 0.0000 173.0967 43 L 4.5419 8.3506 124.1218 52.7946 45.8900 177.6141 44 K 3.8455 8.8119 122.5785 58.7524 32.4127 177.3283 45 D 4.8745 7.6568 117.4902 52.4634 40.2128 177.8981 46 A 3.8525 7.9600 124.7254 56.4373 18.3053 181.3788 47 G 3.7664 7.8376 102.6340 48.2090 0.0000 174.8088 48 Q 4.1586 7.8370 118.0955 57.9531 29.0925 176.1715 49 C 4.4329 7.9933 116.7689 59.4199 28.7689 172.9785 50 I 4.2422 8.5971 125.7350 61.3667 38.4422 175.5470 51 D 4.4532 8.8227 125.3857 54.8647 38.2728 172.1634 52 P 4.7274 0.0000 0.0000 63.2490 33.5744 176.4101 53 Y 5.5827 8.4464 119.6482 56.4703 42.3951 173.0806 54 I 5.0752 9.0047 119.3580 59.8720 41.1617 174.9399 55 T 5.0796 8.9607 123.3057 62.0687 70.6879 173.5960 56 V 5.3187 9.3425 127.2889 60.4264 33.7545 174.6121 57 S 5.0216 8.5616 121.2013 56.4696 67.3494 172.7585 58 V 4.8882 8.2406 119.9533 61.2545 33.8801 174.1726 59 K 5.1405 9.2043 127.9495 54.4361 35.4979 176.4437 60 D 5.0776 9.0074 123.7847 52.2728 40.7558 176.8268 61 L 3.9047 8.5511 118.2996 58.0781 41.4378 178.2229 62 N 4.6344 8.3555 112.7397 52.8904 38.6068 175.3933 63 G 3.8501 8.3082 106.2312 46.7897 0.0000 173.4420 64 I 4.1604 7.8748 120.6971 58.8863 38.4590 175.2144 65 D 4.6585 8.4797 124.7900 55.1469 40.8748 176.4949 66 L 4.4063 8.7628 124.2216 55.3844 42.5712 176.1345 67 N 5.1050 7.5571 114.0480 50.1405 42.7116 172.1012 68 P 4.3222 0.0000 0.0000 62.7698 31.9329 176.3985 69 V 3.9921 8.1141 121.3316 63.0611 32.6295 175.0002 70 Q 4.6952 9.0437 125.3151 54.2543 32.5364 173.8375 71 D 5.5945 9.0721 124.3354 52.6858 42.9272 176.5598 72 T 4.4640 9.1817 114.2806 60.9332 69.6685 172.5064 73 P 4.4167 0.0000 0.0000 62.1103 32.0774 176.5877 74 V 3.9258 8.1421 119.6040 63.1338 31.9288 175.2765 75 A 4.3108 8.5779 130.8244 51.4243 19.4095 177.1395 76 T 4.3887 8.2127 110.4689 61.6544 70.7985 174.8999 77 R 4.3381 7.6768 121.8016 55.1606 29.8566 174.6829 78 K 5.0740 8.3846 122.1174 54.5288 34.8705 174.9645 79 E 4.8020 9.0169 122.7155 54.4690 33.3858 175.7895 80 D 4.5228 9.0140 119.4096 57.8315 40.8882 178.4237 81 T 4.6730 7.9337 105.3583 61.3331 70.5093 172.6466 82 Y 5.1493 7.8338 119.1436 56.5258 42.8057 173.9170 83 I 4.9136 8.6707 123.2524 59.9669 39.9778 174.3006 84 H 5.0553 9.1616 125.3827 55.4119 29.2481 174.4252 85 F 4.3437 9.5113 121.5063 58.5217 40.4113 176.7696 86 S 3.8456 8.1410 111.1860 59.4825 60.3399 172.3908 87 V 4.6618 8.0060 118.9225 60.0501 35.3336 176.1064 88 D 5.1691 8.8459 123.2073 53.6438 42.1479 175.7322 89 V 4.4150 9.0486 123.4451 61.1547 34.1227 174.0280 90 E 4.7306 8.7768 127.6890 55.0920 30.6082 175.9985 91 I 3.9223 8.5077 127.0825 60.6835 38.3085 176.8519 92 Q 4.2560 8.4643 128.1566 55.3639 29.1910 175.8800 93 R 4.5003 7.6697 115.1855 55.2292 33.9242 173.9254 94 H 4.3332 8.7882 121.9210 56.1255 29.5490 176.1317 95 L 4.0166 9.2018 124.9836 58.1661 41.6163 179.4615 96 E 4.1498 8.1905 115.6555 58.2742 29.4751 177.5239 97 K 4.3803 7.9135 116.8424 56.2978 32.9003 176.8262 98 L 4.2538 7.6726 120.4017 53.4412 42.3940 175.2872 99 P 4.5283 0.0000 0.0000 62.1821 32.1819 177.4449 100 K 3.9167 8.7630 119.5648 59.4875 32.0725 178.0732 101 G 3.9819 7.9692 105.0732 45.3024 0.0000 173.3938 102 A 4.6113 7.7582 121.2649 51.8566 19.2180 177.6695 103 A 4.7915 9.0871 120.3908 50.4321 23.4966 175.1954 104 I 4.7217 8.3838 120.8218 60.0923 39.2576 174.8514 105 F 5.2802 9.3477 126.1445 55.8825 42.0564 175.0812 106 F 5.0071 9.8032 120.5383 56.0723 42.3948 173.6563 107 E 5.3158 9.5625 124.8662 54.5539 31.9321 175.0955 108 F 4.9044 9.2727 128.0715 57.3300 40.7636 174.5764 109 K 5.1108 8.2113 125.6310 55.0679 35.8083 174.7605 110 H 5.0022 8.6122 116.4746 54.8638 32.7403 171.6416 111 Y 4.6883 9.2437 121.8755 56.8760 40.2169 174.3091 112 K 4.1823 8.0750 126.9803 54.2545 32.6377 175.9115 113 P 3.9710 0.0000 0.0000 65.0438 31.5555 178.4445 114 K 4.0795 7.8093 116.1559 57.9829 30.8536 177.5556 115 K 4.0188 7.2500 116.6867 55.0353 33.6850 176.7425 116 R 4.1826 7.8143 115.8905 55.7337 28.1382 175.3097 117 F 5.2217 6.4162 109.5774 55.7294 42.2101 173.0483 118 T 4.9219 8.8189 115.8571 63.2257 69.3387 174.5572 119 S 4.8961 9.1538 120.6642 56.6943 66.0185 173.0427 120 T 4.6782 8.5130 122.8293 63.1058 69.3134 174.4879 121 K 4.4999 9.3483 129.1283 59.0229 33.7240 175.8640 122 C 5.4324 7.9725 112.3211 57.8514 32.8098 172.3463 123 F 5.7936 9.0477 113.5011 55.6474 41.5098 173.1411 124 A 5.2228 9.8958 121.0045 50.6438 22.6329 175.4372 125 F 5.4905 7.8253 113.1173 55.6027 40.8588 173.1343 *127 E 4.4000 8.2604 119.3083 56.8063 30.2855 177.9427 *129 D 4.6086 8.8524 128.5324 53.8262 40.6967 175.3347 130 E 4.2876 8.0132 118.4991 56.6198 30.0010 176.1112 131 I 4.3896 7.8222 120.5323 60.1025 37.2130 175.2088 132 K 4.5592 8.2790 123.2043 54.6131 34.9188 173.8463 133 P 4.3482 0.0000 0.0000 64.1088 31.8633 175.9660 134 G 3.7999 8.7344 106.2381 43.2859 0.0000 170.6860 135 P 4.8500 0.0000 0.0000 63.0336 31.9636 175.8842 136 I 4.5939 8.7124 121.6886 59.5212 41.8081 173.8210 137 V 4.6804 8.1382 121.0095 59.5873 34.0117 175.1616 138 I 4.6114 8.3397 124.6494 59.1241 40.8693 175.0894 139 E 4.4586 8.8408 124.2369 56.3906 30.7260 175.7927 140 L 4.6418 7.9022 120.1674 53.3467 44.3878 175.0102 141 Y 4.9305 8.1195 120.1075 55.6782 41.1080 175.5554 142 K 4.5513 9.1708 122.8548 55.9464 32.8042 177.3125 143 K 4.3643 8.5273 123.4956 56.6448 33.0751 174.9538 144 P 4.4858 0.0000 0.0000 62.3094 32.2493 176.3516 145 T 2.4800 8.0220 117.1254 63.4931 68.6433 173.6043 146 D 4.3244 7.0161 125.7817 52.3353 40.5296 176.5479 147 F 3.4570 7.8481 125.6450 58.7613 39.0746 177.1007 148 K 4.3225 8.2294 119.3895 55.6082 32.4770 176.4399 149 R 3.6139 7.7354 115.0899 56.8696 28.8248 177.6336 150 K 4.1579 8.2572 117.9094 58.8974 32.9697 177.7551 151 K 4.5430 8.4386 117.6112 54.3923 34.5818 175.3584 152 L 4.8143 8.4789 123.3126 52.7761 45.0108 175.7718 153 N 5.0405 8.7310 120.0581 51.0403 41.4819 173.5826 154 L 4.1392 8.7489 126.9108 55.0302 42.3607 176.6761 155 L 4.0380 8.5289 129.2423 57.9789 42.2917 176.8439 156 T 4.5330 7.0695 109.2621 60.8186 69.9905 173.1664 157 K 4.1893 8.3113 124.5867 56.8264 32.8299 177.7143 158 K 4.0003 7.5777 119.1245 55.7164 32.9387 175.8198 159 P 4.0972 0.0000 0.0000 62.4460 29.9127 177.1219 160 L 4.5025 6.7342 117.0340 53.9407 44.1996 177.0833 161 Y 4.7951 8.3741 120.4877 55.5494 42.8118 174.4000 162 L 4.6818 8.7956 123.3642 55.0634 43.6054 174.9424 163 H 5.1697 9.3349 124.2436 54.2527 30.7633 173.8735 164 L 5.3052 8.8053 123.0861 52.7589 45.9642 174.9006 165 N 5.3263 8.8795 119.0011 52.0461 41.9050 172.9271 166 Q 5.1054 9.0037 125.3143 54.7405 31.3362 174.6998 167 T 4.7540 8.7691 119.7722 61.6907 72.1536 172.6966 168 L 4.9060 8.5408 126.1214 53.4250 43.8265 175.4870 169 H 4.6765 9.3001 122.2524 54.4876 30.4871 175.3807 170 K 4.1529 8.7329 123.8542 56.8895 33.0216 174.9040 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 19 G 8.34 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 0.00 0.00 0.00 20 S 8.73 4.53 0.00 3.92 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 21 L 8.92 4.35 0.00 1.70 1.68 1.06 1.13 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 22 L 8.86 4.70 0.00 1.70 1.58 0.92 1.05 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 23 P 0.00 4.44 0.00 2.04 1.99 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 24 R 8.50 3.88 0.00 1.76 1.85 0.00 3.17 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 25 L 8.34 4.19 0.00 1.60 1.58 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.41 0.00 2.20 2.07 0.00 3.79 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 2.03 1.98 0.00 27 S 8.51 4.41 0.00 4.04 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 28 E 8.40 4.66 0.00 1.66 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 2.14 2.22 0.00 29 P 0.00 4.17 0.00 2.03 2.01 0.00 3.73 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 2.03 2.10 0.00 30 G 8.49 3.63 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 0.00 0.00 0.00 *32 T 7.61 4.42 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 1.29 0.00 0.00 33 L 8.55 5.04 0.00 1.65 1.55 0.95 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.47 5.13 0.00 1.76 1.52 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.78 5.12 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 1.34 0.00 0.00 36 L 8.91 5.11 0.00 1.72 1.70 1.24 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 37 T 9.06 4.68 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 1.30 0.00 0.00 38 I 9.03 4.28 1.87 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 1.20 0.73 0.62 0.00 0.00 39 E 9.31 4.26 0.00 2.12 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 2.35 2.28 0.00 40 K 7.65 5.19 0.00 1.93 1.89 0.00 0.86 0.00 0.00 1.55 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.54 7.81 41 I 9.01 4.99 1.95 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 0.96 1.39 1.10 0.00 0.00 42 G 9.12 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.35 4.54 0.00 1.32 1.38 -0.21 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.81 3.85 0.00 1.63 1.79 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.29 7.81 45 D 7.66 4.87 0.00 2.87 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 46 A 7.96 3.85 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 47 G 7.84 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 48 Q 7.84 4.16 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 49 C 7.99 4.43 0.00 3.31 3.12 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 50 I 8.60 4.24 2.31 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.99 1.05 0.00 0.00 51 D 8.82 4.45 0.00 2.91 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 52 P 0.00 4.73 0.00 2.26 2.35 0.00 3.86 0.00 0.00 3.98 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 53 Y 8.45 5.58 0.00 3.24 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 54 I 9.00 5.08 1.74 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.57 1.14 0.00 0.00 55 T 8.96 5.08 4.35 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 0.00 0.00 0.00 1.34 0.00 0.00 56 V 9.34 5.32 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 0.92 0.00 0.00 1.07 0.00 0.00 57 S 8.56 5.02 0.00 3.92 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.24 4.89 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 0.92 0.00 0.00 59 K 9.20 5.14 0.00 1.86 1.61 0.00 1.33 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.91 7.81 60 D 9.01 5.08 0.00 2.85 2.83 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 61 L 8.55 3.90 0.00 1.66 1.81 0.93 1.03 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 62 N 8.36 4.63 0.00 2.79 2.81 0.00 0.00 6.96 7.65 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 63 G 8.31 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 0.00 0.00 0.00 64 I 7.87 4.16 2.10 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 1.25 0.91 0.84 0.00 0.00 65 D 8.48 4.66 0.00 2.54 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 66 L 8.76 4.41 0.00 1.68 1.70 0.93 0.92 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 67 N 7.56 5.11 0.00 2.62 2.64 0.00 0.00 6.95 8.02 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 68 P 0.00 4.32 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 69 V 8.11 3.99 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 0.80 0.00 0.00 0.87 0.00 0.00 70 Q 9.04 4.70 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 71 D 9.07 5.59 0.00 2.56 2.56 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 72 T 9.18 4.46 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 73 P 0.00 4.42 0.00 2.12 2.06 0.00 3.82 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 2.09 2.11 0.00 74 V 8.14 3.93 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 0.76 0.00 0.00 1.00 0.00 0.00 75 A 8.58 4.31 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.39 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 77 R 7.68 4.34 0.00 1.96 1.95 0.00 3.08 0.00 0.00 3.34 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 78 K 8.38 5.07 0.00 1.64 1.73 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.59 7.81 79 E 9.02 4.80 0.00 2.00 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 0.00 2.30 2.40 0.00 80 D 9.01 4.52 0.00 2.80 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 81 T 7.93 4.67 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 1.14 0.00 0.00 82 Y 7.83 5.15 0.00 3.02 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 83 I 8.67 4.91 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.74 0.00 0.00 84 H 9.16 5.06 0.00 3.01 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.51 4.34 0.00 3.10 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 86 S 8.14 3.85 0.00 4.02 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 87 V 8.01 4.66 2.25 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 1.01 0.00 0.00 1.03 0.00 0.00 88 D 8.85 5.17 0.00 2.63 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 89 V 9.05 4.41 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 1.13 0.00 0.00 1.03 0.00 0.00 90 E 8.78 4.73 0.00 2.01 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 2.30 2.39 0.00 91 I 8.51 3.92 2.00 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 1.28 0.93 0.92 0.00 0.00 92 Q 8.46 4.26 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.50 2.28 0.00 93 R 7.67 4.50 0.00 1.91 1.75 0.00 3.29 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 94 H 8.79 4.33 0.00 3.31 3.26 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 9.20 4.02 0.00 1.68 1.76 0.94 0.84 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 96 E 8.19 4.15 0.00 1.95 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 2.33 2.41 0.00 97 K 7.91 4.38 0.00 1.93 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 98 L 7.67 4.25 0.00 1.84 1.62 0.94 1.06 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 99 P 0.00 4.53 0.00 2.23 2.18 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 100 K 8.76 3.92 0.00 2.04 1.95 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.02 7.81 101 G 7.97 3.98 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 0.00 0.00 0.00 102 A 7.76 4.61 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.09 4.79 1.30 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 0.00 104 I 8.38 4.72 1.91 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 1.36 0.62 0.63 0.00 0.00 105 F 9.35 5.28 0.00 3.03 3.20 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 0.00 106 F 9.80 5.01 0.00 3.01 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 0.00 107 E 9.56 5.32 0.00 2.00 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 2.39 2.49 0.00 108 F 9.27 4.90 0.00 3.24 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 0.00 109 K 8.21 5.11 0.00 0.79 1.14 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.14 7.81 110 H 8.61 5.00 0.00 3.42 3.22 0.00 5.25 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.24 4.69 0.00 3.11 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 0.00 112 K 8.07 4.18 0.00 1.21 1.40 0.00 1.73 0.00 0.00 1.47 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.25 1.18 7.81 113 P 0.00 3.97 0.00 2.02 2.22 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 114 K 7.81 4.08 0.00 1.61 1.77 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.40 7.81 115 K 7.25 4.02 0.00 0.79 0.74 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.07 0.90 7.81 116 R 7.81 4.18 0.00 1.96 2.11 0.00 3.11 0.00 0.00 3.15 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.44 0.00 117 F 6.42 5.22 0.00 2.97 3.17 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 0.00 118 T 8.82 4.92 4.43 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 1.36 0.00 0.00 119 S 9.15 4.90 0.00 4.04 3.63 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 0.00 120 T 8.51 4.68 4.29 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 1.36 0.00 0.00 121 K 9.35 4.50 0.00 2.15 2.14 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 122 C 7.97 5.43 0.00 3.11 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 0.00 123 F 9.05 5.79 0.00 3.46 3.25 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 0.00 124 A 9.90 5.22 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 0.00 125 F 7.83 5.49 0.00 2.45 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 0.00 0.00 0.00 0.00 *127 E 8.26 4.40 0.00 2.25 1.15 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 2.50 2.38 0.00 *129 D 8.85 4.61 0.00 2.82 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 0.00 130 E 8.01 4.29 0.00 2.15 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 2.27 2.27 0.00 131 I 7.82 4.39 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 1.14 1.57 0.93 0.00 0.00 132 K 8.28 4.56 0.00 1.81 1.72 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.39 7.81 133 P 0.00 4.35 0.00 2.18 2.09 0.00 3.72 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 1.96 0.00 134 G 8.73 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 0.00 135 P 0.00 4.85 0.00 2.05 2.04 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 136 I 8.71 4.59 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.54 0.81 0.00 0.00 137 V 8.14 4.68 1.49 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 0.45 0.00 0.00 0.17 0.00 0.00 138 I 8.34 4.61 1.69 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.77 0.00 0.00 139 E 8.84 4.46 0.00 1.72 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 1.55 1.88 0.00 140 L 7.90 4.64 0.00 1.36 1.41 0.74 0.71 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 0.00 141 Y 8.12 4.93 0.00 1.57 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 9.17 4.55 0.00 1.68 1.82 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.55 7.81 143 K 8.53 4.36 0.00 1.84 2.04 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.54 7.81 144 P 0.00 4.49 0.00 2.11 2.05 0.00 3.81 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 1.95 1.97 0.00 145 T 8.02 2.48 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 -0.54 0.00 0.00 146 D 7.02 4.32 0.00 2.55 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 0.00 147 F 7.85 3.46 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 8.23 4.32 0.00 1.88 1.83 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.35 7.81 149 R 7.74 3.61 0.00 1.31 1.22 0.00 2.71 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 0.00 150 K 8.26 4.16 0.00 1.87 1.88 0.00 1.69 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.38 7.81 151 K 8.44 4.54 0.00 1.69 1.69 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.36 7.81 152 L 8.48 4.81 0.00 1.18 0.57 0.67 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.73 5.04 0.00 2.77 2.77 0.00 0.00 6.78 6.74 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 0.00 154 L 8.75 4.14 0.00 1.72 1.58 0.54 1.01 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 0.00 155 L 8.53 4.04 0.00 1.52 1.54 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 156 T 7.07 4.53 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 157 K 8.31 4.19 0.00 1.72 1.78 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.41 7.81 158 K 7.58 4.00 0.00 1.58 1.60 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.29 7.81 159 P 0.00 4.10 0.00 2.27 2.15 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 160 L 6.73 4.50 0.00 1.18 1.31 0.69 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 8.37 4.80 0.00 2.72 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 0.00 162 L 8.80 4.68 0.00 1.68 1.54 0.87 0.84 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 0.00 163 H 9.33 5.17 0.00 3.27 3.35 0.00 5.80 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 8.81 5.31 0.00 1.43 1.43 0.37 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 165 N 8.88 5.33 0.00 3.03 2.63 0.00 0.00 7.44 6.74 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 0.00 166 Q 9.00 5.11 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 167 T 8.77 4.75 4.16 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 1.11 0.00 0.00 168 L 8.54 4.91 0.00 1.47 1.57 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 169 H 9.30 4.68 0.00 3.13 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 K 8.73 4.15 0.00 1.90 1.80 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.