NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2611 8.1693 120.6267 53.5264 43.3511 176.5213 10 P 4.2929 0.0000 0.0000 62.1009 33.1163 175.5906 11 Q 4.0679 8.6239 120.4107 59.3507 29.4193 180.1768 12 S 4.1927 8.0872 115.1715 61.1375 63.1419 176.1743 13 F 4.1833 8.0759 123.7841 61.1475 39.2652 176.7550 14 L 3.9515 8.1713 119.9741 58.1564 41.8420 178.9347 15 L 3.9869 8.0550 119.0387 57.2078 41.5152 179.3787 16 K 3.8217 7.7991 119.6607 59.6700 32.1068 178.5669 17 C 3.8917 7.9772 117.3512 62.6757 28.0404 175.8027 18 L 3.7528 8.0004 121.9231 58.0988 41.7219 178.5638 19 E 3.8175 7.9538 119.0495 59.3579 29.4965 178.8648 20 Q 3.7452 7.5988 117.3439 59.0248 28.7534 178.6732 21 V 3.1544 7.2337 119.3503 66.1300 31.3903 177.9845 22 R 3.8499 7.8931 118.0507 58.5755 29.8062 178.5042 23 K 3.8587 7.6506 119.3015 59.4336 32.2385 178.7501 24 I 3.7998 7.6951 120.1307 64.6700 37.0719 178.4025 25 Q 4.3075 7.8671 120.5736 58.4360 28.5575 179.2364 26 G 3.6094 8.1970 106.6729 47.6779 0.0000 175.6164 27 D 4.4261 8.2905 121.4399 57.2696 40.8473 179.0013 28 G 3.6134 8.3107 106.1023 47.7378 0.0000 175.5164 29 A 4.0355 8.0669 122.5996 54.5559 18.4511 179.6018 30 A 3.8851 7.8548 119.5460 55.3074 18.3621 179.1615 31 L 3.8172 7.9278 118.7757 58.5778 42.1278 178.9399 32 Q 3.9681 8.3516 117.6352 59.2864 28.7162 179.1451 33 E 3.9231 8.4056 120.0805 59.0122 29.6536 179.0428 34 K 3.8554 7.8890 118.4449 59.5409 32.2046 179.1218 35 L 4.0392 8.0844 119.4230 58.0704 41.5250 179.0496 36 C 4.3934 8.6083 119.2617 58.9691 43.4340 175.4303 37 A 3.8882 7.8037 121.0495 55.6707 18.1106 179.5046 38 T 3.8071 7.9724 113.0599 65.7503 68.5077 175.8833 39 Y 4.8407 7.4593 115.6199 56.5067 38.5786 176.3667 40 K 4.2410 7.9258 117.7065 57.3024 30.7210 176.3473 41 L 4.4094 7.3411 121.0789 53.9654 39.8966 176.2657 42 C 4.8571 8.2518 116.0564 56.6471 36.0781 174.3781 43 H 4.7847 7.6828 117.6727 52.5027 30.2611 171.5742 44 P 4.2899 0.0000 0.0000 65.6269 31.1057 177.7560 45 E 4.0015 8.3514 116.7590 59.9092 29.2435 179.2905 46 E 4.1068 8.0195 116.2178 58.7104 29.7474 178.4435 47 L 4.5758 7.8535 117.4980 54.5117 42.2886 178.3999 48 V 3.6638 7.7715 121.1484 65.1702 30.9030 178.2260 49 L 4.2409 7.9178 118.4824 57.0933 41.6118 179.0041 50 L 4.2400 8.3565 119.4676 57.3346 41.6534 179.3285 51 G 3.9426 7.8337 104.7593 47.7604 0.0000 175.1923 52 H 4.1983 8.0869 120.3953 59.5446 29.7567 177.5051 53 S 4.1923 7.9741 115.1203 61.6718 62.9252 176.3876 54 L 4.2162 8.4150 120.3122 55.1759 41.4196 177.5398 55 G 3.8926 7.6324 106.3301 46.2767 0.0000 173.8816 56 I 3.8577 7.6413 121.1616 60.1574 37.3005 174.9180 57 P 4.5976 0.0000 0.0000 62.1313 32.1871 175.0777 58 W 4.6259 8.5662 128.2472 55.4092 32.6712 174.7918 59 A 4.3836 7.2218 128.2249 49.5058 19.1821 174.6951 60 P 4.7644 0.0000 0.0000 63.2299 32.7983 175.1266 61 L 4.6967 8.7460 120.1689 56.9124 48.2522 177.2125 62 S 4.0797 8.3510 113.2421 62.3032 62.8142 176.0130 63 S 4.4268 7.9971 109.8541 59.2320 62.9487 176.3542 64 C 4.4865 8.3289 125.8711 57.1708 43.9527 171.5191 *71 L 4.0271 8.1239 115.7519 56.3956 42.2352 174.5263 72 A 3.8501 7.8367 115.1243 56.1673 19.4409 180.0191 73 G 3.5204 8.0243 103.6777 48.1534 0.0000 176.2208 74 C 4.3041 8.4790 121.8110 59.3638 44.3585 175.6938 75 L 3.9460 8.0007 122.5424 58.3776 41.1525 180.1440 76 S 4.3241 8.5157 119.2803 63.2483 62.2022 179.3492 77 Q 4.2353 8.3025 123.0036 58.8372 28.6765 178.1066 78 L 4.0839 8.2276 121.6325 58.4338 42.1205 178.2543 79 H 4.0920 8.3716 118.1376 59.4856 29.7010 177.2538 80 S 4.2720 8.6494 117.1644 61.7538 62.7854 176.7227 81 G 3.6233 8.3822 108.3609 47.9778 0.0000 175.6219 82 L 4.0888 8.3854 121.2574 57.6652 41.5928 179.2675 83 F 3.8956 8.4947 120.8389 61.0595 39.1851 177.0384 84 L 3.9437 8.1832 120.3331 58.3823 41.9266 178.5730 85 Y 3.9792 8.1143 119.1586 61.6111 37.7411 179.0476 86 Q 4.1735 8.5327 122.0777 59.9308 28.0897 181.0928 87 G 3.9557 7.8832 107.5892 48.0948 0.0000 175.7867 88 L 4.1489 7.9764 122.0810 57.0946 41.3532 179.8065 89 L 3.9792 7.7686 118.2549 57.7109 41.8195 178.8280 90 Q 4.0859 8.2017 119.2105 59.4613 28.8111 178.1253 91 A 4.0539 8.2003 120.5764 55.5682 18.6600 179.0774 92 L 4.0149 8.1666 115.5122 55.3301 41.7178 177.1209 93 E 3.8135 9.3817 118.3656 57.3493 27.6196 176.1217 94 G 3.7968 8.3061 104.3964 44.8739 0.0000 174.5080 95 I 3.2692 7.8248 119.7302 61.6965 37.2738 174.0911 96 S 4.7867 7.2283 110.8741 54.8430 66.7548 173.0604 97 P 4.2453 0.0000 0.0000 66.6066 30.3489 178.4173 98 E 3.9753 8.1971 116.4655 58.3135 29.7532 178.2957 99 L 4.4707 7.9448 117.2405 55.2049 42.0862 178.7107 100 G 3.7657 7.7448 107.3114 47.3334 0.0000 173.4355 101 P 4.2426 0.0000 0.0000 66.0247 31.0170 178.0263 102 T 3.8245 7.9632 115.4320 66.1332 68.3677 176.1316 103 L 4.0180 8.0641 121.9421 57.9795 42.0978 178.7124 104 D 4.3396 8.1367 119.0333 57.5121 40.7663 178.5170 105 T 3.8374 7.9982 116.3183 66.8943 68.5571 176.2320 106 L 4.3336 7.7830 122.9653 57.5087 41.9311 178.9192 107 Q 3.9722 7.8629 119.1947 58.8904 29.0757 177.9052 108 L 3.9632 7.9552 119.9880 57.8514 41.7851 178.9823 109 D 4.3959 8.0424 118.8146 57.5814 40.7940 179.2556 110 V 3.6831 7.9701 118.1732 66.0159 31.3739 177.7193 111 A 3.9174 8.1519 120.5066 55.2406 18.0672 179.2467 112 D 4.3951 8.2227 117.1947 57.7173 41.0903 178.7874 113 F 4.4618 8.2692 120.5259 61.5310 39.2564 176.9726 114 A 3.9790 8.3731 120.3601 55.1882 18.0053 179.6034 115 T 4.1682 7.7045 114.2345 66.5312 68.7922 177.0747 116 T 4.0481 8.2666 118.0482 67.0473 68.3280 176.2967 117 I 3.9062 7.5821 119.6735 64.3825 37.5098 178.0266 118 W 4.0432 8.1831 128.7220 60.3979 30.5902 177.9194 119 Q 4.0358 8.5221 118.2951 59.1833 28.0140 178.7740 120 Q 3.8464 8.0376 118.9438 59.1051 28.9822 177.8526 121 M 3.9258 7.4437 119.4050 57.9666 31.8358 177.9824 122 E 3.6611 6.9620 113.1305 57.6528 29.1075 175.9777 *137 M 4.1307 7.6848 118.8264 54.0285 33.0572 172.3722 138 P 3.9042 0.0000 0.0000 62.7200 31.1922 175.5333 139 A 4.3442 7.6910 120.4481 50.5241 20.0140 176.7759 140 F 4.3824 8.1141 124.1844 56.4412 37.5275 177.3883 141 A 4.1430 7.8418 121.7155 52.0740 18.8718 177.3787 142 S 4.4849 8.5952 112.6001 57.8682 65.7939 176.2581 143 A 3.8559 8.1419 121.6434 55.4138 17.7477 179.1331 144 F 3.9533 8.2285 117.0219 61.7875 39.4336 177.8185 145 Q 3.9066 7.9074 117.0994 58.9224 28.4910 179.0874 146 R 3.6850 8.3888 119.5873 59.0706 30.1081 179.2172 147 R 3.7286 7.8836 117.6728 59.3448 30.2329 179.1524 148 A 3.9644 7.4624 120.4188 54.7784 18.2246 179.8747 149 G 3.3296 7.8586 104.6878 47.3939 0.0000 176.2283 150 G 3.3989 7.7099 108.1171 47.4818 0.0000 175.5724 151 V 3.5935 7.7269 121.4542 65.7008 31.4615 178.2603 152 L 3.9298 7.6811 117.7172 57.8106 41.3726 179.7980 153 V 3.7003 7.9736 118.0202 65.7566 31.4371 177.9399 154 A 3.9611 8.0962 120.5945 55.3763 18.1773 179.6529 155 S 4.1467 8.3506 111.8106 61.8261 62.4540 176.0658 156 H 4.5426 8.6933 119.2740 58.5976 28.4694 177.5628 157 L 3.0694 8.2341 122.5559 57.7443 41.9037 178.5635 158 Q 3.9525 7.9779 118.0922 59.4496 28.6757 179.4437 159 S 4.2921 7.9274 115.3300 61.8185 62.9099 176.6609 160 F 4.0799 8.2000 123.0859 61.4339 39.0446 177.1521 161 L 4.1556 8.0472 119.7889 56.8682 41.2818 179.2595 162 E 3.9935 8.4020 119.0356 59.4074 29.4140 179.5262 163 V 3.6044 8.0294 118.4595 66.0385 31.2604 178.3327 164 S 4.0069 8.1166 115.3898 61.3417 62.5704 176.1071 165 Y 4.0502 8.0113 122.4049 60.6775 38.5928 177.5645 166 R 3.5251 7.6657 119.7530 59.4213 29.8551 178.3391 167 V 3.5186 7.4053 116.3167 66.2623 31.8917 177.7731 168 L 4.1254 8.0200 118.6536 57.6249 41.4608 179.6163 169 R 3.6777 7.9853 119.2049 59.5678 29.7627 178.1451 170 H 4.4784 8.0636 114.3622 57.5127 28.6395 176.5951 171 L 4.6321 7.5389 119.2480 54.0718 41.9939 176.1506 172 A 4.5765 7.8149 128.1064 52.3447 19.1666 176.7505 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 9 L 8.17 4.26 0.00 1.64 1.48 0.82 0.94 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 10 P 0.00 4.29 0.00 2.40 2.20 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 2.15 2.08 0.00 11 Q 8.62 4.07 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 12 S 8.09 4.19 0.00 4.14 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 13 F 8.08 4.18 0.00 3.12 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 14 L 8.17 3.95 0.00 1.89 1.83 0.92 0.52 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 15 L 8.06 3.99 0.00 1.96 1.68 0.95 0.59 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 16 K 7.80 3.82 0.00 2.00 1.68 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.47 7.81 17 C 7.98 3.89 0.00 2.86 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 18 L 8.00 3.75 0.00 1.85 1.79 0.46 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.95 3.82 0.00 2.01 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 2.23 2.29 0.00 20 Q 7.60 3.75 0.00 1.85 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 21 V 7.23 3.15 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.47 0.00 0.00 22 R 7.89 3.85 0.00 1.93 1.94 0.00 3.22 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 23 K 7.65 3.86 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.43 7.81 24 I 7.70 3.80 1.92 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 1.52 0.50 0.91 0.00 0.00 25 Q 7.87 4.31 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 26 G 8.20 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 0.00 0.00 0.00 27 D 8.29 4.43 0.00 2.82 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 28 G 8.31 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 0.00 0.00 0.00 29 A 8.07 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.85 3.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.93 3.82 0.00 1.77 1.84 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.35 3.97 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 33 E 8.41 3.92 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 34 K 7.89 3.86 0.00 1.91 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.59 7.81 35 L 8.08 4.04 0.00 1.83 1.80 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.61 4.39 0.00 2.97 3.18 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 37 A 7.80 3.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.81 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 0.44 0.00 0.00 39 Y 7.46 4.84 0.00 3.14 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 40 K 7.93 4.24 0.00 1.95 1.90 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.56 7.81 41 L 7.34 4.41 0.00 1.83 1.66 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.25 4.86 0.00 2.61 2.95 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 43 H 7.68 4.78 0.00 3.28 3.37 0.00 5.65 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 44 P 0.00 4.29 0.00 2.21 2.19 0.00 3.68 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 2.17 2.24 0.00 45 E 8.35 4.00 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 46 E 8.02 4.11 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 47 L 7.85 4.58 0.00 1.87 1.71 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.77 3.66 2.26 0.00 0.00 0.00 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 0.96 0.00 0.00 49 L 7.92 4.24 0.00 1.79 1.78 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.36 4.24 0.00 2.02 1.78 1.01 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.83 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 0.00 0.00 0.00 52 H 8.09 4.20 0.00 3.15 3.60 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.97 4.19 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 54 L 8.42 4.22 0.00 1.77 1.92 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.63 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 0.00 0.00 0.00 56 I 7.64 3.86 2.00 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 1.63 0.76 1.03 0.00 0.00 57 P 0.00 4.60 0.00 2.14 2.05 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 58 W 8.57 4.63 0.00 3.40 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.22 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.76 0.00 2.34 2.32 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 61 L 8.75 4.70 0.00 1.76 1.55 0.93 0.49 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 62 S 8.35 4.08 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.43 0.00 4.01 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 64 C 8.33 4.49 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 *71 L 8.12 4.03 0.00 1.64 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.84 3.85 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.02 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 4.30 0.00 3.08 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 75 L 8.00 3.95 0.00 1.84 1.66 0.77 1.04 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 76 S 8.52 4.32 0.00 3.68 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 77 Q 8.30 4.24 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 78 L 8.23 4.08 0.00 1.94 1.78 0.87 0.63 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 79 H 8.37 4.09 0.00 3.50 3.67 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.65 4.27 0.00 4.08 3.91 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 81 G 8.38 3.62 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 0.00 0.00 0.00 82 L 8.39 4.09 0.00 1.85 1.73 0.49 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.49 3.90 0.00 3.25 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 84 L 8.18 3.94 0.00 1.75 1.56 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.11 3.98 0.00 3.08 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 86 Q 8.53 4.17 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 87 G 7.88 3.96 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 0.00 0.00 0.00 88 L 7.98 4.15 0.00 1.85 1.78 0.51 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.77 3.98 0.00 1.90 1.74 0.97 1.00 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 90 Q 8.20 4.09 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 91 A 8.20 4.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.17 4.01 0.00 1.88 1.58 0.76 -0.24 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 93 E 9.38 3.81 0.00 2.04 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 2.30 2.27 0.00 94 G 8.31 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 95 I 7.82 3.27 1.89 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 1.26 0.43 0.92 0.00 0.00 96 S 7.23 4.79 0.00 4.02 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 97 P 0.00 4.25 0.00 2.30 2.39 0.00 3.74 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 2.11 2.11 0.00 98 E 8.20 3.98 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 99 L 7.94 4.47 0.00 1.92 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.74 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 0.00 101 P 0.00 4.24 0.00 2.26 2.35 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 102 T 7.96 3.82 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 1.20 0.00 0.00 103 L 8.06 4.02 0.00 1.93 1.65 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.14 4.34 0.00 2.90 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 0.00 105 T 8.00 3.84 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 0.00 106 L 7.78 4.33 0.00 1.78 1.93 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.86 3.97 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 108 L 7.96 3.96 0.00 1.88 1.70 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.04 4.40 0.00 3.05 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 0.00 110 V 7.97 3.68 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 1.11 0.00 0.00 1.02 0.00 0.00 111 A 8.15 3.92 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 0.00 112 D 8.22 4.40 0.00 2.97 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 0.00 113 F 8.27 4.46 0.00 3.06 3.21 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 0.00 114 A 8.37 3.98 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 0.00 115 T 7.70 4.17 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 1.31 0.00 0.00 116 T 8.27 4.05 4.66 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 1.38 0.00 0.00 117 I 7.58 3.91 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.47 1.00 0.00 0.00 118 W 8.18 4.04 0.00 3.38 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 0.00 119 Q 8.52 4.04 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.73 0.00 120 Q 8.04 3.85 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.65 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 121 M 7.44 3.93 0.00 1.22 1.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.28 0.00 122 E 6.96 3.66 0.00 2.09 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 2.01 2.32 0.00 *137 M 7.68 4.13 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 138 P 0.00 3.90 0.00 0.96 1.85 0.00 3.69 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 1.81 1.97 0.00 139 A 7.69 4.34 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 0.00 0.00 0.00 0.00 0.00 140 F 8.11 4.38 0.00 3.12 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 0.00 141 A 7.84 4.14 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 0.00 142 S 8.60 4.48 0.00 3.97 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 0.00 143 A 8.14 3.86 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 0.00 144 F 8.23 3.95 0.00 3.09 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 0.00 145 Q 7.91 3.91 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 146 R 8.39 3.69 0.00 1.99 1.86 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 147 R 7.88 3.73 0.00 1.54 1.77 0.00 2.83 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.45 0.00 148 A 7.46 3.96 0.80 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 0.00 149 G 7.86 3.33 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 0.00 150 G 7.71 3.40 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 0.00 151 V 7.73 3.59 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.98 0.00 0.00 152 L 7.68 3.93 0.00 1.71 1.60 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.97 3.70 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 1.23 0.00 0.00 1.00 0.00 0.00 154 A 8.10 3.96 1.41 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 0.00 155 S 8.35 4.15 0.00 3.96 4.17 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 0.00 156 H 8.69 4.54 0.00 3.53 3.59 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.23 3.07 0.00 1.29 1.73 0.42 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 158 Q 7.98 3.95 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 159 S 7.93 4.29 0.00 4.12 4.09 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 0.00 160 F 8.20 4.08 0.00 2.96 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 0.00 161 L 8.05 4.16 0.00 1.89 1.70 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.40 3.99 0.00 2.21 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 2.47 2.48 0.00 163 V 8.03 3.60 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 1.01 0.00 0.00 1.00 0.00 0.00 164 S 8.12 4.01 0.00 3.95 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 0.00 165 Y 8.01 4.05 0.00 3.03 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 0.00 166 R 7.67 3.53 0.00 1.87 1.87 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 167 V 7.41 3.52 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 0.87 0.00 0.00 0.94 0.00 0.00 168 L 8.02 4.13 0.00 1.78 1.73 1.07 1.18 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 0.00 169 R 7.99 3.68 0.00 0.91 1.60 0.00 3.04 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.53 0.00 170 H 8.06 4.48 0.00 3.31 3.29 0.00 5.70 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 0.00 171 L 7.54 4.63 0.00 1.74 1.67 0.98 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 172 A 7.81 4.58 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 * Residues marked with a * may have inaccurate shift predictions.