NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.3092 8.3027 120.2214 56.4189 31.7557 177.4165 16 R 3.6516 8.1071 117.9271 58.1017 29.9884 173.2337 17 E 4.4571 8.2581 115.5128 55.9284 31.1383 175.5327 18 G 3.9469 7.8721 105.5552 44.9841 0.0000 174.8374 19 I 3.7132 8.1694 120.3392 64.1983 37.0171 178.2566 20 L 3.9550 8.0407 120.7303 58.3238 41.7178 178.8060 21 F 4.5784 8.1994 119.6641 61.8408 39.5239 176.6335 22 T 3.7064 7.8701 115.2387 67.4723 68.2013 176.5391 23 T 4.0027 8.5457 117.4093 66.6604 68.4291 176.4852 24 L 3.9874 7.6038 120.0689 57.7351 41.7490 179.2737 25 E 4.1927 8.3213 117.5804 59.0158 29.3031 178.9987 26 K 4.1059 8.4592 119.8956 58.5675 31.9313 179.0825 27 L 4.0783 7.3469 118.8329 57.2662 42.0766 178.8665 28 V 3.7543 8.3060 118.3013 66.0325 31.4884 177.7275 29 A 4.0369 8.1078 120.1896 55.2323 18.1051 179.2667 30 W 4.2461 7.8782 125.3916 61.3190 30.7515 177.3096 31 G 3.8191 8.5347 106.6697 47.3275 0.0000 174.7375 32 R 4.4091 7.6797 117.0728 56.0772 29.7255 178.1479 33 S 3.8405 7.8378 114.1048 60.4008 62.7316 173.7758 34 N 4.8534 8.3152 117.4339 53.6189 40.7680 175.2477 35 S 4.6745 7.3909 113.2566 58.3263 63.2715 173.7152 36 L 4.5304 7.5781 121.1675 55.1595 42.1272 177.4342 37 W 5.1939 9.3821 135.0000 54.1163 30.6730 169.9838 38 P 4.4067 0.0000 0.0000 62.8734 31.7166 175.8353 39 A 4.4636 8.6449 128.6165 49.3956 18.4738 174.9659 40 T 3.8677 8.0474 114.7161 62.1427 68.6850 173.4017 41 F 5.0138 8.9208 127.8032 56.7670 38.7589 173.9493 42 G 3.4992 7.9014 107.6998 47.0510 0.0000 170.3208 43 L 4.5131 8.9734 118.5356 53.0890 44.4589 179.3941 44 A 4.6800 8.2001 123.8779 52.5735 18.5065 180.4671 45 C 4.2091 8.9659 120.0350 65.3089 27.9384 174.6519 46 C 4.1681 8.1524 117.6381 62.6093 26.7261 175.7421 47 A 4.0178 7.8248 121.9785 54.6657 17.6746 178.9384 48 I 3.9224 7.5233 116.3831 62.3623 38.0658 176.7481 49 E 4.3318 7.8195 119.1431 57.2643 30.0099 176.8904 50 M 4.3423 7.7708 118.5611 57.3380 30.9855 176.8458 51 M 4.3351 7.5986 117.7784 56.3437 31.9870 176.8638 52 A 4.1522 7.3437 119.2219 52.0318 20.1101 177.6502 53 S 4.5589 7.7711 113.5358 59.9644 64.5489 176.2218 54 T 4.1504 7.8274 116.5821 65.0291 68.7030 174.9927 55 D 4.5336 7.3762 119.8266 55.8798 41.6042 177.5425 56 A 4.2085 7.4275 120.9083 54.5163 20.0663 178.4565 57 R 3.9756 8.2677 109.1687 56.8924 28.2094 178.3136 *74 Q 4.1396 9.0951 109.2346 55.2977 30.5826 174.2954 75 A 5.0409 8.5509 124.3618 50.4139 22.3649 174.9753 76 D 4.7589 8.1998 119.9911 51.9113 42.0860 175.0186 77 V 4.3281 8.5226 117.4440 62.9057 28.8867 169.4106 78 M 5.0615 7.9088 120.1872 53.2211 33.6845 175.4444 79 I 4.6519 8.3130 122.9864 59.6529 39.5960 174.9482 80 V 4.2763 8.6387 128.9765 62.4233 32.4394 174.6452 81 A 4.7083 9.3394 130.1906 50.3948 19.8618 175.1977 82 G 4.1588 8.5372 107.0954 42.9262 0.0000 170.7480 83 R 3.9175 8.0804 117.5712 56.2711 30.0144 176.6021 84 L 4.3451 8.5522 127.4548 53.4790 42.1991 175.7363 85 S 4.5997 8.4105 121.3443 58.0476 63.0720 175.1146 86 K 3.7790 8.3485 122.1011 58.9830 31.4559 179.8897 87 K 3.9565 7.8276 119.2004 59.6305 32.5911 178.1661 88 M 4.2082 7.7201 117.3213 57.7242 32.1065 177.6710 89 A 3.9950 7.5693 121.1471 54.8810 18.8304 177.5578 90 P 4.3476 0.0000 0.0000 64.8008 31.2881 178.4870 91 V 3.7453 7.4946 118.4916 66.2358 31.9765 177.2374 92 M 3.5850 8.0772 117.8517 58.2458 31.8913 177.9435 93 R 3.8525 7.9788 119.0236 59.6504 30.2706 178.5894 94 R 4.2978 7.5078 117.7596 58.8347 29.8662 179.1487 95 V 3.5662 7.3416 116.3766 65.6296 31.4153 177.7563 96 W 4.1302 7.8464 126.9748 60.3996 30.8272 177.3389 97 E 3.8800 8.3510 118.5529 59.1361 30.1338 177.9470 98 Q 4.4180 7.6373 117.7371 54.7267 27.0974 174.4406 99 M 4.6653 7.0014 118.0691 52.4755 36.1370 171.9957 100 P 4.3140 0.0000 0.0000 62.9924 31.6579 175.3426 101 D 4.1867 8.2760 116.1327 55.7983 41.4766 174.7141 102 P 4.0501 0.0000 0.0000 61.6939 29.7585 175.0459 103 K 4.4610 6.7713 120.6212 54.8806 36.1609 175.3033 104 W 5.4561 8.6213 118.7087 55.4076 34.3503 174.2678 105 V 5.0172 8.8082 120.5060 60.3626 33.8098 174.5779 106 I 4.7826 8.4486 129.1439 60.3588 39.3315 174.8806 107 S 5.0965 8.7645 120.2277 56.7995 65.3871 172.5110 108 M 4.3126 9.6557 126.9158 54.9756 32.8293 177.0484 109 G 3.9034 9.2764 116.8049 44.7770 0.0000 173.3291 110 A 3.9918 8.2593 119.2012 55.7447 17.9339 179.6676 111 C 4.1198 8.1720 112.7616 63.3047 28.4907 175.8538 112 A 4.1770 8.0291 121.9210 55.3158 17.6845 179.0695 113 S 4.3621 8.7377 112.6485 62.4942 63.2464 176.6673 114 S 5.2813 8.5305 119.0724 56.9481 65.2483 174.4711 115 G 4.2866 8.1207 108.0793 45.7638 0.0000 174.7148 116 G 3.9746 7.7377 108.6741 47.0114 0.0000 174.7808 117 M 4.2198 8.2910 121.1566 54.8302 31.6811 176.7498 118 F 4.6521 7.2890 118.3647 56.2562 38.9426 175.1356 119 N 4.9959 8.2449 128.3068 51.6583 37.3469 172.4610 120 N 5.1483 7.4315 117.4634 51.5952 40.9090 175.0928 121 Y 3.8748 9.2887 114.7561 60.1497 37.8314 176.7973 122 A 3.7189 7.7405 122.5741 53.0224 18.9703 176.8045 123 I 4.6976 6.9312 115.0052 59.1311 41.1010 175.1798 124 V 3.9030 8.0508 123.1177 62.8130 32.0379 176.3464 125 Q 4.3451 8.5548 124.2183 56.5064 29.4927 174.9208 126 N 5.1530 7.4756 114.3499 53.2590 41.9325 175.2433 127 V 3.7025 8.3390 125.2174 65.4843 31.7855 177.0725 128 D 5.2167 8.2040 117.6116 55.9228 41.0983 177.2139 129 S 4.3180 8.2194 114.7276 60.9871 63.1389 175.3066 130 V 4.1919 7.5627 111.3716 61.6924 33.9860 176.2598 131 V 3.6141 7.6150 111.4939 58.1268 34.9993 173.1351 132 P 4.6188 0.0000 0.0000 62.4544 31.5916 176.0338 133 V 4.2068 8.7575 124.2723 61.7190 32.5677 174.9931 134 D 4.7643 8.8712 126.9898 55.5486 42.3485 177.3156 135 V 4.4512 7.3531 116.9519 61.2736 35.0740 173.8767 136 Y 5.1406 9.0210 124.5928 55.7248 40.2020 175.7793 137 V 4.5211 8.7089 122.3981 59.0413 33.6671 173.3955 138 P 4.6256 0.0000 0.0000 63.1129 32.4428 174.9474 139 G 4.1504 8.2381 105.7737 44.2354 0.0000 173.1090 140 C 4.5339 7.8003 116.5095 58.2825 32.4944 171.1769 141 P 4.6267 0.0000 0.0000 60.3184 32.3845 175.1241 142 P 4.2605 0.0000 0.0000 62.7652 31.7751 176.1628 143 R 3.9965 8.5900 120.9784 56.3288 30.8617 175.3241 144 P 4.2592 0.0000 0.0000 65.8829 31.3222 178.8849 145 E 4.0315 8.2987 116.1168 58.7720 29.4188 178.6502 146 A 4.2301 7.9285 120.7354 54.0763 19.0608 179.1832 147 L 4.0232 8.0428 119.2328 58.3491 42.0841 178.6291 148 I 3.6651 7.8358 119.6638 64.5052 37.2051 177.1747 149 Y 4.0894 8.1620 120.2179 60.9128 38.5385 178.7922 150 A 3.9874 7.9384 121.4273 55.2378 18.3274 180.0390 151 V 3.5779 7.6605 110.3532 64.4021 31.4939 178.5849 152 M 3.9171 7.8715 118.7724 58.2954 31.4707 178.5846 153 Q 3.6282 7.2359 118.3481 58.9099 29.6337 177.3303 154 L 3.8756 7.4492 121.3738 58.7404 41.9637 178.1184 155 Q 3.5988 8.7311 119.5756 59.8532 28.3162 178.7670 156 K 4.2850 8.2349 115.0046 56.7655 31.8563 178.4662 157 K 4.4138 7.7721 122.7698 57.3115 34.2237 178.7314 158 V 3.8856 7.2731 111.0594 63.8391 31.4377 177.6507 159 R 3.9563 7.7504 117.6287 57.0579 30.0129 176.8427 160 G 3.8572 8.2162 106.1386 46.8627 0.0000 173.6863 161 Q 4.4210 7.3827 118.4805 54.8355 29.7944 174.8185 162 A 4.2582 7.2924 117.5125 49.9327 22.0781 175.6407 163 Y 5.5359 8.1899 117.9697 54.9553 42.1098 174.6509 164 N 4.8957 8.3824 118.6777 51.4511 39.6119 175.7130 165 E 4.0317 8.7491 116.9043 59.7238 29.5405 179.1221 166 R 3.9354 8.0920 117.0438 57.9535 30.1694 177.6466 167 G 4.0311 8.3195 105.7755 45.4381 0.0000 172.8729 168 E 4.5412 8.2035 118.3351 54.2316 31.1407 175.4903 169 R 4.8282 8.5603 123.0911 56.6918 30.9883 175.3329 170 L 4.9055 8.2322 126.2143 52.0061 43.5083 174.7251 171 P 4.3029 0.0000 0.0000 62.7753 31.0014 174.8712 172 P 4.5806 0.0000 0.0000 64.6568 31.7002 176.7434 173 V 4.3670 7.6631 115.8698 60.8602 33.2797 175.6707 174 A 4.3148 7.9021 129.4265 50.7664 17.0348 177.5756 175 A 4.1523 8.1406 122.8588 53.4912 19.1842 176.6774 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 15 E 8.30 4.31 0.00 1.93 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 2.25 2.26 0.00 16 R 8.11 3.65 0.00 1.82 2.04 0.00 3.51 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.81 0.00 17 E 8.26 4.46 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 2.26 2.40 0.00 18 G 7.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.17 3.71 1.89 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 1.54 0.51 0.92 0.00 0.00 20 L 8.04 3.95 0.00 1.79 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.20 4.58 0.00 3.15 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 22 T 7.87 3.71 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 1.19 0.00 0.00 23 T 8.55 4.00 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 1.17 0.00 0.00 24 L 7.60 3.99 0.00 2.12 1.68 1.08 0.89 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 25 E 8.32 4.19 0.00 1.97 1.73 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 2.15 2.17 0.00 26 K 8.46 4.11 0.00 1.81 1.90 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.60 7.81 27 L 7.35 4.08 0.00 1.82 1.71 0.85 1.24 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 28 V 8.31 3.75 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 1.05 0.00 0.00 0.95 0.00 0.00 29 A 8.11 4.04 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.88 4.25 0.00 3.48 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 31 G 8.53 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 0.00 0.00 0.00 32 R 7.68 4.41 0.00 2.20 2.28 0.00 3.33 0.00 0.00 3.32 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.73 0.00 33 S 7.84 3.84 0.00 3.77 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.32 4.85 0.00 2.83 2.71 0.00 0.00 6.60 6.98 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 35 S 7.39 4.67 0.00 4.16 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 36 L 7.58 4.53 0.00 1.69 1.67 0.71 0.34 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 37 W 9.38 5.19 0.00 3.32 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.41 0.00 1.75 1.96 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 39 A 8.64 4.46 1.20 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 0.00 0.00 40 T 8.05 3.87 4.21 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 1.16 0.00 0.00 41 F 8.92 5.01 0.00 3.04 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 42 G 7.90 3.50 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 0.00 0.00 0.00 43 L 8.97 4.51 0.00 1.36 1.33 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.20 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.97 4.21 0.00 2.99 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 46 C 8.15 4.17 0.00 3.06 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 47 A 7.82 4.02 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 48 I 7.52 3.92 1.98 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 1.39 0.59 0.90 0.00 0.00 49 E 7.82 4.33 0.00 2.08 1.92 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 2.44 2.34 0.00 50 M 7.77 4.34 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.46 0.00 51 M 7.60 4.34 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 52 A 7.34 4.15 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 53 S 7.77 4.56 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.83 4.15 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 1.13 0.00 0.00 55 D 7.38 4.53 0.00 2.78 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 56 A 7.43 4.21 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 R 8.27 3.98 0.00 1.92 1.68 0.00 3.17 0.00 0.00 3.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 *74 Q 9.10 4.14 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 75 A 8.55 5.04 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 76 D 8.20 4.76 0.00 3.12 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 77 V 8.52 4.33 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 1.04 0.00 0.00 1.25 0.00 0.00 78 M 7.91 5.06 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.59 0.00 79 I 8.31 4.65 1.90 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 1.25 0.69 0.93 0.00 0.00 80 V 8.64 4.28 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 1.06 0.00 0.00 1.02 0.00 0.00 81 A 9.34 4.71 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 82 G 8.54 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 0.00 0.00 0.00 0.00 83 R 8.08 3.92 0.00 1.70 1.88 0.00 2.73 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 84 L 8.55 4.35 0.00 1.75 1.64 0.94 0.92 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 85 S 8.41 4.60 0.00 3.86 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 86 K 8.35 3.78 0.00 1.81 1.82 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.39 7.81 87 K 7.83 3.96 0.00 1.72 1.80 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 88 M 7.72 4.21 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 89 A 7.57 4.00 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 90 P 0.00 4.35 0.00 2.28 2.32 0.00 3.72 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 2.15 2.03 0.00 91 V 7.49 3.75 2.38 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 1.15 0.00 0.00 0.97 0.00 0.00 92 M 8.08 3.58 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.32 0.00 93 R 7.98 3.85 0.00 2.03 2.05 0.00 3.32 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 94 R 7.51 4.30 0.00 2.14 1.97 0.00 3.21 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 95 V 7.34 3.57 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 0.68 0.00 0.00 0.90 0.00 0.00 96 W 7.85 4.13 0.00 3.21 3.35 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 97 E 8.35 3.88 0.00 2.25 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 2.52 2.82 0.00 98 Q 7.64 4.42 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 99 M 7.00 4.67 0.00 1.52 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 100 P 0.00 4.31 0.00 2.11 2.04 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 101 D 8.28 4.19 0.00 2.52 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 0.00 102 P 0.00 4.05 0.00 2.00 1.92 0.00 3.56 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 1.98 0.00 103 K 6.77 4.46 0.00 1.49 1.41 0.00 0.70 0.00 0.00 1.34 0.00 0.00 2.27 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.20 7.81 104 W 8.62 5.46 0.00 3.35 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 0.00 105 V 8.81 5.02 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 1.38 0.00 0.00 1.21 0.00 0.00 106 I 8.45 4.78 1.89 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 1.38 0.56 0.96 0.00 0.00 107 S 8.76 5.10 0.00 3.91 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 9.66 4.31 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 109 G 9.28 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 0.00 110 A 8.26 3.99 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 0.00 111 C 8.17 4.12 0.00 3.02 3.09 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 0.00 0.00 0.00 112 A 8.03 4.18 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.74 4.36 0.00 3.97 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 0.00 114 S 8.53 5.28 0.00 3.93 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 0.00 115 G 8.12 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 0.00 0.00 0.00 0.00 116 G 7.74 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 0.00 117 M 8.29 4.22 0.00 1.76 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.81 0.00 118 F 7.29 4.65 0.00 3.10 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 0.00 119 N 8.24 5.00 0.00 2.67 2.76 0.00 0.00 7.01 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 0.00 120 N 7.43 5.15 0.00 3.30 3.06 0.00 0.00 5.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 9.29 3.87 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.74 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 6.93 4.70 1.90 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 1.05 0.60 0.99 0.00 0.00 124 V 8.05 3.90 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 0.81 0.00 0.00 0.99 0.00 0.00 125 Q 8.55 4.35 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 126 N 7.48 5.15 0.00 2.69 2.64 0.00 0.00 7.32 7.71 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 0.00 127 V 8.34 3.70 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 1.00 0.00 0.00 128 D 8.20 5.22 0.00 2.93 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 0.00 129 S 8.22 4.32 0.00 3.93 3.89 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 0.00 130 V 7.56 4.19 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 0.70 0.00 0.00 0.89 0.00 0.00 131 V 7.62 3.61 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 0.00 0.00 0.38 0.00 0.00 0.63 0.00 0.00 132 P 0.00 4.62 0.00 2.05 1.96 0.00 2.78 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 133 V 8.76 4.21 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 0.08 0.00 0.00 0.84 0.00 0.00 134 D 8.87 4.76 0.00 2.67 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 0.00 135 V 7.35 4.45 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 1.10 0.00 0.00 0.89 0.00 0.00 136 Y 9.02 5.14 0.00 2.88 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 0.00 137 V 8.71 4.52 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 1.07 0.00 0.00 1.00 0.00 0.00 138 P 0.00 4.63 0.00 2.11 2.11 0.00 3.83 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 2.02 2.01 0.00 139 G 8.24 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 C 7.80 4.53 0.00 2.90 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 0.00 141 P 0.00 4.63 0.00 2.23 2.04 0.00 3.84 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 1.98 1.95 0.00 142 P 0.00 4.26 0.00 2.22 2.35 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 143 R 8.59 4.00 0.00 1.85 1.86 0.00 3.17 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.68 0.00 144 P 0.00 4.26 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 145 E 8.30 4.03 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 146 A 7.93 4.23 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.02 0.00 1.72 1.79 0.92 0.77 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 0.00 148 I 7.84 3.67 2.11 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 1.53 0.42 0.95 0.00 0.00 149 Y 8.16 4.09 0.00 2.94 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 0.00 150 A 7.94 3.99 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 0.00 151 V 7.66 3.58 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 0.85 0.00 0.00 0.90 0.00 0.00 152 M 7.87 3.92 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.46 0.00 153 Q 7.24 3.63 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 154 L 7.45 3.88 0.00 1.69 1.60 0.51 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 8.73 3.60 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.08 2.33 0.00 156 K 8.23 4.28 0.00 1.65 1.64 0.00 1.54 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.45 7.81 157 K 7.77 4.41 0.00 1.65 1.85 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.24 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.26 1.30 7.81 158 V 7.27 3.89 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 -0.58 0.00 0.00 0.63 0.00 0.00 159 R 7.75 3.96 0.00 1.71 2.00 0.00 3.12 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 1.44 1.58 0.00 160 G 8.22 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 7.38 4.42 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 162 A 7.29 4.26 1.06 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 0.00 0.00 163 Y 8.19 5.54 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 0.00 164 N 8.38 4.90 0.00 3.00 3.05 0.00 0.00 5.93 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 0.00 165 E 8.75 4.03 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 166 R 8.09 3.94 0.00 1.91 2.01 0.00 3.14 0.00 0.00 3.40 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 167 G 8.32 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 E 8.20 4.54 0.00 2.10 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 2.35 2.31 0.00 169 R 8.56 4.83 0.00 2.07 1.96 0.00 3.30 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 170 L 8.23 4.91 0.00 1.83 1.59 0.96 0.99 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 0.00 171 P 0.00 4.30 0.00 2.13 2.13 0.00 3.83 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 2.05 2.06 0.00 172 P 0.00 4.58 0.00 2.27 2.44 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 173 V 7.66 4.37 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 0.62 0.00 0.00 0.76 0.00 0.00 174 A 7.90 4.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.14 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.