NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2942 8.3044 120.3026 55.1644 34.2367 176.1889 2 D 4.5341 7.3971 121.7028 52.8182 39.1895 174.6183 3 F 5.0037 8.7506 120.5778 57.3681 41.1479 175.5266 4 R 4.9334 9.3297 119.8321 54.6656 34.4658 174.1965 5 I 4.9862 8.4780 115.0546 59.3158 41.0173 174.4007 6 G 4.3567 9.0341 110.0078 44.7564 0.0000 171.2496 7 Q 5.1812 8.5567 117.1572 54.4255 32.5632 174.0459 8 G 4.5397 9.1725 106.9335 45.1345 0.0000 170.7431 9 Y 5.4340 8.4702 121.0687 56.0602 42.0817 173.5400 10 D 4.5895 8.2782 123.9543 53.0142 45.3154 174.0785 11 V 4.7406 7.6946 121.2249 60.7147 34.7045 173.6640 12 H 4.9832 8.7889 117.9365 54.0788 33.9414 172.5493 13 Q 4.5013 8.6584 121.7979 56.1034 30.3883 174.2619 14 L 4.8383 8.5199 128.2711 54.4349 42.5950 175.5978 15 V 4.0653 8.8001 125.3344 64.0620 34.1717 175.2452 *20 L 4.0570 7.7480 122.9306 54.9886 43.0755 175.4037 21 I 4.9707 8.1712 127.2008 59.5745 40.5045 175.0439 22 I 4.7537 8.2230 127.6496 60.5677 40.4903 175.8372 23 G 3.9794 10.0226 112.6794 46.5782 0.0000 174.9254 24 G 3.9660 8.7568 106.2254 45.0280 0.0000 174.1910 25 V 4.2084 7.5600 120.3676 61.0659 32.9190 174.6872 26 T 4.6410 8.3935 124.2207 63.2173 68.9190 172.6615 27 I 4.0678 8.2978 125.6287 62.6071 39.2262 176.3671 *32 G 3.7866 7.7481 106.8936 45.9055 0.0000 170.6908 33 L 4.9032 8.3275 119.5357 54.0157 42.8831 176.5414 34 L 4.4851 8.1394 125.1322 53.4150 43.0693 175.8819 *37 S 4.2925 8.5176 120.6136 57.9170 63.9716 173.3640 38 D 4.3595 8.5455 117.6541 53.6478 39.1939 176.2775 39 A 3.3330 8.1935 121.9433 53.5840 16.5902 178.5126 40 D 4.6745 7.5342 121.1889 54.6467 40.7483 176.5471 41 V 4.0383 8.0591 122.5791 63.5210 31.6884 178.0229 42 L 3.9212 7.8149 119.5418 58.2435 42.0813 178.9416 43 L 4.0330 7.9900 118.4852 57.9956 41.4480 179.2393 44 H 4.3155 8.3661 116.1551 58.7420 28.6366 177.6968 45 A 4.0139 8.1238 122.6327 55.1963 18.2352 179.7711 46 I 3.6520 7.7911 118.3328 64.7563 37.1530 178.6757 47 T 3.6905 8.0045 116.5554 66.8681 68.3009 176.3572 48 D 4.5043 8.4113 120.5070 57.3189 40.8276 178.7228 49 A 4.2395 8.0842 122.6710 54.5449 18.4311 179.7798 50 L 3.8439 7.9469 117.4694 58.0206 41.7194 179.7447 51 F 4.5291 8.1467 117.9100 60.4657 38.7746 178.0440 52 G 3.6183 8.4416 105.3846 47.7310 0.0000 175.7088 53 A 4.1874 8.1761 123.4005 53.9308 18.4837 178.6983 54 A 3.1907 7.6175 115.8855 50.9028 19.4903 176.8022 55 A 3.6876 7.4738 119.4014 53.4860 16.5995 177.8576 56 L 4.6090 8.6203 117.6741 55.2603 43.5724 177.2742 57 G 3.9786 9.2921 108.0526 44.0768 0.0000 176.6642 58 D 4.7884 8.0681 125.0180 50.8230 43.0741 175.0513 59 I 3.8857 9.1610 120.2628 64.1529 37.6799 178.1898 60 G 3.5651 8.0319 105.3725 47.4019 0.0000 175.5207 61 R 4.0288 7.8967 119.7292 59.3254 30.2479 178.3823 62 H 3.9902 7.4519 114.7632 57.1282 29.8180 176.0133 63 F 4.8700 7.5399 119.0392 55.4569 38.8663 174.6597 64 S 4.4356 8.0929 118.8081 57.7996 64.1675 173.4114 65 D 4.5459 8.5298 124.6393 54.8590 39.8004 177.1347 *70 F 4.7522 7.8077 116.7507 56.2414 41.3733 175.5226 71 K 4.0491 8.0127 121.0871 58.1245 32.0268 177.2845 72 G 3.9365 9.0289 112.0918 45.1904 0.0000 173.3758 73 A 4.0886 7.7889 123.8613 51.9256 18.9914 177.8680 74 D 4.6745 8.4370 123.0069 52.9447 42.0044 177.8586 75 S 4.1927 9.0614 116.3589 61.3315 62.6731 177.3550 76 R 3.8553 7.9976 120.6845 59.0423 29.8908 178.5305 77 A 3.9614 8.8578 120.9286 55.1862 18.3321 179.7066 78 L 3.2713 7.6886 117.4226 57.5489 41.5371 179.4965 79 L 3.9211 8.0751 120.4993 58.1862 42.0116 179.2646 80 R 3.8984 8.1410 118.1527 59.1951 29.9766 178.7024 81 E 4.0419 8.3326 119.2076 59.1930 29.5703 178.1895 82 C 3.9693 8.6623 119.0897 62.6149 31.5393 175.4722 83 A 3.9173 8.0927 122.2356 55.2174 17.8326 179.5022 84 S 4.0868 8.2887 111.6107 61.6689 62.4557 176.7206 85 R 4.0186 8.1965 120.8470 59.1654 29.9312 179.1062 86 V 3.7161 8.2254 118.2239 65.9797 31.4487 177.9596 87 A 4.3321 8.1399 121.8120 54.9249 18.0798 179.6700 88 Q 4.0019 8.2959 114.9114 58.3403 28.8665 177.9001 89 A 4.3569 7.9580 120.2905 52.6924 18.6254 177.9819 90 G 3.7259 8.3851 106.5675 44.8705 0.0000 172.6900 91 F 5.1270 8.1418 117.2720 55.3232 41.9947 174.4397 92 A 4.8637 9.0677 124.0706 50.2518 21.6413 175.8487 93 I 4.2135 8.3631 122.4248 61.3854 37.5947 175.8827 94 R 4.5617 8.9944 126.6250 57.9757 31.4530 176.2897 95 N 4.9864 7.6274 113.1154 52.2094 40.5632 173.7688 96 V 5.0538 8.6136 112.6217 59.7380 35.8279 174.3449 97 D 5.4815 8.9729 123.0949 52.9196 44.9992 174.2422 98 S 5.1238 8.2727 115.1736 57.8942 67.0433 173.1944 99 T 4.9185 8.9217 116.8718 62.0649 72.6869 172.9258 100 I 4.7501 8.8273 127.0562 59.7366 39.8366 174.6547 101 I 4.8984 8.7611 127.8755 59.6703 39.0996 174.6297 102 A 4.8478 8.7150 128.8884 50.4469 22.0944 176.9206 103 Q 3.8675 9.0215 123.3223 58.7716 29.6160 175.7044 104 A 4.5315 7.3371 117.3549 50.2188 21.7758 173.6919 105 P 4.5968 0.0000 0.0000 61.5388 32.6644 176.0949 106 K 4.0985 8.4338 118.1008 56.8063 32.2831 177.8015 107 L 4.5272 8.4722 122.5040 55.5649 42.4081 178.4689 108 A 4.0003 8.0638 120.9302 54.9960 17.9988 177.5157 109 P 4.3083 0.0000 0.0000 64.6070 31.7470 177.2477 110 H 4.8274 8.1484 114.5102 55.5777 29.3171 176.5147 111 I 3.7236 7.4667 123.1010 64.5822 36.9513 177.9079 112 D 4.3248 8.1017 118.9895 57.2519 40.6715 178.5892 113 A 3.9913 7.9434 120.8480 55.3100 18.4088 179.3795 114 M 4.2522 8.0769 118.5169 58.0840 31.9771 179.1340 115 R 3.8833 8.2500 118.1007 59.3612 30.2943 179.0407 116 A 3.9843 8.2016 120.5021 55.1058 18.3357 179.5080 117 N 4.2918 8.2389 115.0906 56.4777 38.6378 177.7328 118 I 3.6731 7.9811 121.0797 64.3106 37.1491 178.2743 119 A 3.9739 8.2714 121.6116 55.0592 18.1542 179.4907 120 A 3.9147 8.0806 119.1124 55.6382 18.3112 179.7321 121 D 4.3609 8.0069 115.8179 56.8098 40.9563 178.0389 122 L 4.3166 7.9303 116.8082 53.4051 42.9899 175.6222 123 D 4.3527 7.5546 117.6378 55.6181 40.0360 172.8251 124 L 4.8713 7.8403 117.3020 51.8110 45.2557 175.6514 125 P 4.4429 0.0000 0.0000 62.5067 32.1738 177.1967 126 L 3.9630 8.7261 120.4520 58.2764 41.6052 178.7795 127 D 4.5805 8.0741 114.3402 54.5780 39.6246 176.4030 128 R 4.5964 8.1985 118.6722 56.0500 31.6457 175.3561 129 V 4.8878 7.8650 119.4934 61.0321 33.8247 174.3255 130 N 5.1061 9.0623 125.5363 51.8089 42.5065 172.9574 131 V 4.9019 8.3400 124.0422 59.9442 34.6006 174.5031 132 K 4.8655 8.9706 125.6002 54.5009 36.0788 174.8780 133 A 5.2867 8.5314 123.2412 50.2893 22.0540 175.5997 134 K 4.7679 9.0533 119.7155 54.9551 37.0252 176.2218 135 T 4.7096 8.3895 112.9051 59.7154 71.3303 173.6516 136 N 4.7512 8.6358 116.4817 52.7804 38.9947 174.1254 137 E 3.6431 8.7279 113.4025 57.0345 27.6304 175.4319 138 K 4.1529 8.1816 112.5634 56.8260 30.5879 175.6745 139 L 4.4376 7.8055 119.7155 54.0405 43.3670 178.1578 140 G 4.0020 8.5187 112.1316 44.9778 0.0000 173.2235 141 Y 4.3434 8.1564 115.8430 60.1638 37.6629 178.3544 142 L 4.0939 7.1142 120.4117 57.6257 41.3886 179.5458 143 G 3.6952 8.1985 105.2103 46.8683 0.0000 174.8184 144 R 4.5908 7.7547 118.1389 55.4004 30.4102 176.7827 145 G 3.9268 7.8294 106.7867 46.3442 0.0000 174.8060 146 E 4.2824 8.4981 121.1457 57.6195 30.0200 176.0493 147 G 4.6582 7.6759 103.5644 45.4051 0.0000 172.2779 148 I 4.9870 8.6075 119.7963 59.3342 41.0142 174.7077 149 E 5.1141 8.9808 126.3930 54.4057 33.0195 174.3758 150 A 5.2461 8.7482 125.1815 50.3664 23.0536 175.0594 151 Q 5.3003 9.1514 118.6009 54.3062 32.9661 174.5353 152 A 5.2129 8.9771 122.0630 50.6360 23.4720 174.9245 153 A 5.1756 9.2341 120.4203 50.1844 22.8654 175.2580 154 A 5.0862 9.0233 122.0507 50.0228 23.1545 174.6318 155 L 5.1244 8.7453 122.8396 53.4255 44.8468 175.8033 156 V 5.2431 8.9195 118.4249 59.6690 36.6260 174.7091 157 V 4.7900 8.8251 120.5357 60.2162 34.8966 175.4046 158 R 4.4860 8.6266 123.0181 55.7235 29.5024 175.7896 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 1 M 8.30 4.29 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 2 D 7.40 4.53 0.00 2.84 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 3 F 8.75 5.00 0.00 3.04 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 4 R 9.33 4.93 0.00 1.60 1.74 0.00 3.29 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 5 I 8.48 4.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.92 0.00 0.00 6 G 9.03 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 0.00 0.00 0.00 0.00 7 Q 8.56 5.18 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.17 4.54 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 9 Y 8.47 5.43 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.28 4.59 0.00 2.74 2.43 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 11 V 7.69 4.74 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 0.76 0.00 0.00 1.07 0.00 0.00 12 H 8.79 4.98 0.00 3.06 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.66 4.50 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 14 L 8.52 4.84 0.00 1.84 1.56 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.80 4.07 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 0.80 0.00 0.00 0.93 0.00 0.00 *20 L 7.75 4.06 0.00 1.82 1.77 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 21 I 8.17 4.97 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 0.87 0.00 0.00 22 I 8.22 4.75 1.84 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 1.20 1.18 0.89 0.00 0.00 23 G 10.02 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 24 G 8.76 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 25 V 7.56 4.21 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 0.94 0.00 0.00 1.00 0.00 0.00 26 T 8.39 4.64 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 1.19 0.00 0.00 27 I 8.30 4.07 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.66 0.81 0.00 0.00 *32 G 7.75 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.33 4.90 0.00 1.49 1.56 0.95 0.94 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 34 L 8.14 4.49 0.00 1.65 1.57 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *37 S 8.52 4.29 0.00 4.11 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 38 D 8.55 4.36 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.19 3.33 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 40 D 7.53 4.67 0.00 2.68 2.45 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 41 V 8.06 4.04 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 1.33 0.00 0.00 0.90 0.00 0.00 42 L 7.81 3.92 0.00 1.72 1.77 0.91 0.65 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 43 L 7.99 4.03 0.00 1.72 1.68 0.93 0.88 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 44 H 8.37 4.32 0.00 3.42 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.12 4.01 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 46 I 7.79 3.65 1.85 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 1.51 0.95 0.87 0.00 0.00 47 T 8.00 3.69 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 1.22 0.00 0.00 48 D 8.41 4.50 0.00 2.99 2.79 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 0.00 0.00 0.00 0.00 49 A 8.08 4.24 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 50 L 7.95 3.84 0.00 1.59 1.51 0.81 0.83 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 51 F 8.15 4.53 0.00 3.02 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 52 G 8.44 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 53 A 8.18 4.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.62 3.19 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 55 A 7.47 3.69 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 56 L 8.62 4.61 0.00 1.88 1.68 1.12 0.98 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 57 G 9.29 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 58 D 8.07 4.79 0.00 3.09 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 59 I 9.16 3.89 2.15 0.00 0.00 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 1.57 1.66 0.99 0.00 0.00 60 G 8.03 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.90 4.03 0.00 1.70 1.78 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 62 H 7.45 3.99 0.00 1.99 1.90 0.00 5.59 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.54 4.87 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.44 0.00 3.93 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 65 D 8.53 4.55 0.00 2.67 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 *70 F 7.81 4.75 0.00 3.21 3.07 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 71 K 8.01 4.05 0.00 1.75 1.79 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.41 7.81 72 G 9.03 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 73 A 7.79 4.09 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 74 D 8.44 4.67 0.00 3.13 2.79 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 0.00 0.00 0.00 0.00 75 S 9.06 4.19 0.00 3.85 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 76 R 8.00 3.86 0.00 1.97 2.03 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 77 A 8.86 3.96 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 78 L 7.69 3.27 0.00 1.65 1.10 0.71 -0.43 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 79 L 8.08 3.92 0.00 1.79 1.77 0.85 1.17 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 80 R 8.14 3.90 0.00 2.03 1.97 0.00 3.18 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 1.83 1.80 0.00 81 E 8.33 4.04 0.00 2.19 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 0.00 2.73 2.79 0.00 82 C 8.66 3.97 0.00 2.78 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 83 A 8.09 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 84 S 8.29 4.09 0.00 3.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.20 4.02 0.00 2.27 2.14 0.00 3.44 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.96 0.00 86 V 8.23 3.72 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 1.08 0.00 0.00 0.90 0.00 0.00 87 A 8.14 4.33 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 0.00 0.00 0.00 0.00 0.00 88 Q 8.30 4.00 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 89 A 7.96 4.36 1.62 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 90 G 8.39 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.14 5.13 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 9.07 4.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 8.36 4.21 1.89 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 1.34 0.61 0.92 0.00 0.00 94 R 8.99 4.56 0.00 1.91 2.06 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 95 N 7.63 4.99 0.00 2.86 2.87 0.00 0.00 5.98 7.68 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 96 V 8.61 5.05 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 0.65 0.00 0.00 0.92 0.00 0.00 97 D 8.97 5.48 0.00 2.74 2.44 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 98 S 8.27 5.12 0.00 4.02 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 99 T 8.92 4.92 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 1.22 0.00 0.00 100 I 8.83 4.75 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.71 0.94 0.00 0.00 101 I 8.76 4.90 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 1.16 0.67 0.92 0.00 0.00 102 A 8.72 4.85 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 0.00 103 Q 9.02 3.87 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 104 A 7.34 4.53 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 0.00 105 P 0.00 4.60 0.00 2.21 2.11 0.00 3.78 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 1.99 1.98 0.00 106 K 8.43 4.10 0.00 1.77 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.41 7.81 107 L 8.47 4.53 0.00 1.69 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.06 4.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.31 0.00 1.75 2.02 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 110 H 8.15 4.83 0.00 3.31 3.31 0.00 5.82 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.47 3.72 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 0.94 0.00 0.00 112 D 8.10 4.32 0.00 2.68 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 0.00 113 A 7.94 3.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.08 4.25 0.00 2.08 2.25 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 2.83 2.60 0.00 115 R 8.25 3.88 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 116 A 8.20 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.24 4.29 0.00 3.00 2.86 0.00 0.00 6.99 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 0.00 118 I 7.98 3.67 1.86 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 1.44 0.78 0.90 0.00 0.00 119 A 8.27 3.97 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 0.00 120 A 8.08 3.91 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 0.00 121 D 8.01 4.36 0.00 2.78 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 0.00 122 L 7.93 4.32 0.00 1.66 1.69 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.55 4.35 0.00 2.72 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 0.00 124 L 7.84 4.87 0.00 1.63 1.53 0.92 1.17 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 0.00 125 P 0.00 4.44 0.00 2.37 2.18 0.00 3.73 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 2.00 0.00 126 L 8.73 3.96 0.00 1.73 1.78 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.07 4.58 0.00 2.76 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 0.00 128 R 8.20 4.60 0.00 1.92 2.08 0.00 3.08 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.87 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 0.79 0.00 0.00 0.93 0.00 0.00 130 N 9.06 5.11 0.00 2.85 2.76 0.00 0.00 6.22 7.86 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 0.00 131 V 8.34 4.90 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 1.18 0.00 0.00 0.93 0.00 0.00 132 K 8.97 4.87 0.00 1.79 1.63 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.48 7.81 133 A 8.53 5.29 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 9.05 4.77 0.00 1.61 1.63 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 135 T 8.39 4.71 4.40 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 1.21 0.00 0.00 136 N 8.64 4.75 0.00 2.75 2.71 0.00 0.00 6.98 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 0.00 137 E 8.73 3.64 0.00 2.13 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 2.24 2.39 0.00 138 K 8.18 4.15 0.00 1.92 1.92 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 139 L 7.81 4.44 0.00 1.79 1.52 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.52 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 0.00 0.00 0.00 141 Y 8.16 4.34 0.00 3.25 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 0.00 142 L 7.11 4.09 0.00 1.52 1.68 0.88 1.06 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 0.00 143 G 8.20 3.70 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 0.00 0.00 0.00 144 R 7.75 4.59 0.00 1.91 2.04 0.00 3.25 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 145 G 7.83 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.50 4.28 0.00 2.32 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 2.33 2.30 0.00 147 G 7.68 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 0.00 0.00 0.00 0.00 148 I 8.61 4.99 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.24 0.98 0.00 0.00 149 E 8.98 5.11 0.00 2.08 1.77 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 2.18 2.17 0.00 150 A 8.75 5.25 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.15 5.30 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 152 A 8.98 5.21 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 0.00 153 A 9.23 5.18 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 9.02 5.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.75 5.12 0.00 1.78 1.66 1.02 0.60 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 0.00 156 V 8.92 5.24 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 0.68 0.00 0.00 0.78 0.00 0.00 157 V 8.83 4.79 1.62 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 0.75 0.00 0.00 0.13 0.00 0.00 158 R 8.63 4.49 0.00 1.40 1.85 0.00 2.82 0.00 0.00 2.35 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 * Residues marked with a * may have inaccurate shift predictions.