NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2559 8.1749 115.2432 61.7071 68.4969 172.7817 6 L 4.6277 8.4237 128.0584 51.2999 43.6872 175.2448 7 D 4.8165 9.2377 125.3708 51.6067 43.9005 176.8190 8 K 3.8538 8.5421 117.7125 60.3738 31.8347 179.4906 9 T 3.9445 7.9048 115.2034 66.5842 68.5855 176.4342 10 D 4.3859 8.3899 120.9011 57.3844 40.7477 178.8716 11 I 3.6769 7.8356 120.2392 64.2812 37.0514 178.3415 12 K 4.0579 8.0875 120.3505 59.5139 31.9806 178.7267 13 I 3.6985 7.8034 120.0012 64.5329 37.0044 178.4607 14 L 4.0004 7.8332 119.3741 57.8174 41.4771 179.4006 15 Q 3.9844 8.2986 118.2712 59.1031 28.7005 179.4301 16 V 3.7000 8.0297 119.1657 66.1028 31.4276 178.1261 17 L 4.3698 7.9672 117.2492 57.4941 41.5179 179.0393 18 Q 4.1414 8.1440 117.9816 58.8734 28.6730 178.0977 19 E 4.5056 7.6881 117.1084 57.3632 30.4332 176.1249 20 N 4.8004 8.3728 117.4156 51.6195 39.6975 174.5809 21 G 3.9456 8.6362 112.9626 46.9473 0.0000 172.3151 22 R 4.3036 7.5863 117.4377 55.7580 30.8889 176.7807 23 L 3.9334 7.3790 119.0200 55.3985 42.2876 177.8236 24 T 4.0743 8.2235 116.2417 61.6058 69.3319 174.7585 25 N 4.2784 8.6838 123.6709 56.8154 38.9119 176.9700 26 V 3.5869 7.8388 119.0051 66.3898 31.5447 177.6899 27 E 4.0629 8.0869 117.3768 59.2692 29.3871 178.9461 28 L 3.9443 8.5026 120.6268 58.2800 42.0182 178.9814 29 S 4.1364 8.5792 115.3736 61.8511 62.9389 176.7430 30 E 3.9747 7.9786 120.4178 59.6440 29.0320 179.7700 31 R 4.0118 7.8994 116.7194 58.6117 30.2001 178.5231 32 V 4.0129 7.8204 109.1881 59.8331 32.8023 175.4700 33 A 3.7397 7.7294 120.2845 53.5518 16.1963 176.9350 34 L 4.9083 8.2112 119.5910 52.4531 46.1805 178.3291 35 S 4.3875 8.2874 116.2689 57.5342 64.8024 173.6385 36 P 4.4202 0.0000 0.0000 65.3338 31.1443 179.2884 37 S 4.0974 7.9447 112.9018 61.2962 63.0734 174.9387 38 P 4.3164 0.0000 0.0000 65.3137 30.9945 178.3943 39 C 4.0837 8.0356 117.8347 62.4118 31.5547 175.2601 40 L 3.9770 8.1644 122.2290 58.1078 41.6838 179.0128 41 R 3.9112 8.1166 118.7387 59.3398 30.0835 178.5991 42 R 3.9284 7.8856 117.6887 59.3020 30.1085 178.8380 43 L 4.0255 8.0052 120.0518 58.0028 41.9863 179.2113 44 K 4.0404 7.9864 118.2035 59.4581 32.0044 179.1991 45 Q 4.0057 8.0081 118.0817 59.1256 28.5120 179.1485 46 L 4.0353 7.9473 119.8203 57.8023 41.2548 179.4336 47 E 3.9990 8.3609 118.6186 59.4582 29.2033 178.9387 48 D 4.4628 8.2390 117.4975 56.3826 41.1185 177.8860 49 A 4.2316 7.9264 119.7147 52.7251 18.6477 178.3007 50 G 3.9402 7.7344 105.4993 45.1582 0.0000 175.1973 51 I 3.6958 7.3812 120.2674 64.2013 37.1816 176.7369 52 V 3.7925 7.6066 120.5715 62.0956 31.4078 175.3522 53 R 4.3463 8.2335 123.6575 57.0712 30.7449 175.9885 54 Q 4.4923 7.3172 116.3921 55.1842 31.7357 172.2357 55 Y 4.7152 8.3970 120.0987 56.1991 40.2828 175.3246 56 A 4.6392 8.2778 125.0361 50.3831 22.3656 175.5936 57 A 4.1881 8.5974 125.3648 51.7524 19.1929 176.8426 58 L 4.5852 8.4214 123.1409 53.0302 43.2555 176.2825 59 L 4.5282 8.1201 123.2966 52.9452 43.4927 175.9779 60 S 4.3798 8.2358 115.4362 57.0206 62.8848 172.9435 61 P 4.1240 0.0000 0.0000 65.8573 31.2074 178.3912 62 E 3.9983 8.2014 116.9996 59.4361 29.1895 179.4333 63 S 4.2588 7.9386 113.3802 60.4542 62.9762 175.9386 64 V 4.2571 7.0302 113.1248 60.1616 32.7701 174.8723 65 N 4.2020 8.1420 114.6782 55.3896 37.8716 173.9106 66 L 5.1582 8.0377 115.1657 53.1579 40.3889 177.5636 67 G 3.9103 8.3187 104.6919 46.6466 0.0000 171.2761 68 L 4.7984 8.3756 123.9271 53.3875 44.5617 174.6126 69 Q 4.5140 8.7449 128.0895 54.1930 31.1064 173.7135 70 A 4.9059 8.7357 128.5780 50.0336 22.2677 174.8559 71 F 4.8922 8.9414 121.1262 55.9660 41.2205 174.8243 72 I 4.7478 9.2720 126.0948 59.5950 39.7423 174.9778 73 R 5.0499 9.3432 126.9758 54.8533 31.9093 175.3192 74 V 4.7016 9.0387 125.4195 61.1948 34.0778 174.4532 75 S 5.0340 8.8784 124.6752 57.2431 64.1898 173.5947 76 I 4.2851 8.6735 126.0095 60.2720 38.8063 175.7580 77 R 4.0156 8.9077 127.5283 56.3260 30.6247 177.9495 78 K 4.3039 8.5690 123.2780 54.6864 30.8587 175.6456 79 A 4.6871 7.5733 123.6494 49.9053 22.5025 176.2730 80 K 3.9466 8.4981 119.8444 58.2359 32.6337 177.6909 81 D 4.6552 9.0838 121.1287 54.9222 39.2615 175.7893 82 A 4.0955 7.8280 121.9677 55.1899 18.2155 179.9225 83 R 3.9648 8.0052 115.9265 59.5613 30.2481 178.9505 84 E 3.9721 8.1764 117.7059 59.5900 29.5648 179.1147 85 D 4.3281 8.6229 119.2547 57.2468 40.8304 178.5332 86 F 3.8413 8.5414 121.3235 61.0828 39.4183 176.8813 87 A 3.5000 8.1367 120.3989 55.1246 17.9579 179.5019 88 A 3.7878 7.7055 117.8763 55.2573 18.6703 179.8169 89 S 3.7456 7.6806 113.6794 61.4178 62.8300 176.9241 90 V 2.4293 6.6642 121.0788 65.6294 30.8641 178.2498 91 R 3.8578 7.2173 116.2381 58.1107 29.8825 178.0166 92 K 4.5975 7.2314 115.9762 54.8687 32.9075 176.1570 93 W 4.9711 7.4371 121.4032 54.5097 28.9436 175.3313 94 P 4.3614 0.0000 0.0000 64.9521 31.2300 178.1857 95 E 3.7086 8.1203 115.9155 57.9281 29.7431 176.2732 96 V 4.4181 7.5654 119.9159 61.5634 31.6851 175.1293 97 L 4.3484 8.5490 128.5717 56.9690 42.4019 177.9291 98 S 4.6095 7.8526 113.0183 56.7957 67.3686 173.1183 99 C 5.0571 7.8134 122.7608 58.1464 34.3302 172.8787 100 F 5.0953 9.3207 124.5731 55.3572 42.3312 174.2825 101 A 4.1713 8.9934 125.6088 51.9379 18.6570 176.6821 102 L 4.8472 8.2718 122.7126 53.0836 44.3843 177.1002 103 T 4.1379 8.5880 109.5841 63.2489 69.9779 175.8567 104 G 4.0570 7.5413 114.1708 45.0188 0.0000 173.5948 105 E 3.9797 8.7554 120.1214 58.9828 30.0491 178.0447 106 T 4.2838 7.6822 115.8170 62.8406 69.3923 173.9865 107 D 4.4350 8.9420 126.9252 57.1158 42.0087 175.8901 108 Y 5.3307 8.2400 115.3769 56.0480 42.1925 173.9686 109 L 5.2564 9.3257 126.4981 53.6330 44.1516 174.8457 110 L 5.3166 9.3138 127.0026 53.1725 44.7005 175.1367 111 Q 4.6683 8.9559 124.0046 54.2473 31.2789 174.1889 112 A 5.0942 8.6824 127.0725 50.4013 23.3552 174.4225 113 F 5.1336 8.3036 117.4422 55.7684 42.2314 174.8851 114 F 4.9930 9.3568 120.5236 56.0944 43.4558 176.1685 115 T 4.4024 9.2065 110.3370 64.2190 70.8002 174.3550 116 D 4.4940 8.1443 123.3632 53.1804 45.4233 176.0690 *118 N 4.5322 9.5557 116.2884 53.3678 41.0655 175.0863 119 A 4.1244 8.3665 119.7989 54.8263 18.3860 179.2019 120 F 2.9488 8.1532 119.3247 61.3019 39.3684 177.1258 121 S 3.9537 8.1774 112.0636 61.6929 62.0507 175.4692 122 H 4.0544 8.1396 120.6292 59.1399 29.5638 176.8447 123 F 3.9281 8.1897 122.4218 61.2617 39.1813 177.2357 124 V 2.9315 7.5706 117.9150 65.8252 31.0619 178.0101 125 L 3.8914 7.5568 117.2786 57.2717 41.7016 178.3538 126 D 4.5592 7.8028 116.2862 54.6941 41.3476 176.7106 127 T 4.1248 6.9546 112.6612 64.9782 70.8420 175.2284 128 L 3.8064 6.9942 122.7738 58.0445 42.1535 179.1278 129 L 4.0310 7.8239 117.6425 57.0142 41.6849 178.5267 130 S 4.2803 7.7744 111.5834 59.7115 63.8717 174.0415 131 H 4.2873 7.9268 123.3705 56.1467 30.0624 175.7231 132 H 4.2270 8.7997 122.3444 58.4762 28.5751 176.2238 133 G 3.8220 8.0099 105.3544 46.6745 0.0000 173.2683 134 V 4.1260 7.5311 121.6024 61.6860 31.5530 175.5063 135 Q 4.1396 8.9473 130.9215 59.0624 29.5588 174.9373 136 D 4.6732 7.7896 115.6232 53.8889 44.9432 173.4071 137 A 5.3274 8.2882 121.4022 50.7555 22.3121 175.6947 138 Q 4.7071 9.2714 118.3088 54.8557 32.3800 174.0260 139 S 5.1981 8.7658 116.2593 57.0075 66.9592 173.2369 140 S 4.7528 8.5903 117.3810 56.7406 66.7721 173.0545 141 F 5.2177 8.4274 118.7891 55.4505 42.7377 175.0398 142 V 3.8296 8.4702 122.1757 63.0379 31.1068 176.1029 143 L 4.2682 8.7919 128.7068 57.1567 42.1365 177.4620 144 K 4.4354 7.6039 116.4412 55.1355 34.9835 173.9682 145 E 4.4699 8.7344 127.0438 55.1767 30.3065 175.5500 146 I 4.0816 8.5049 127.4874 63.2371 37.8849 176.2914 147 K 4.5648 7.6182 118.2315 55.1830 35.0321 175.3616 148 H 4.6235 8.5004 124.7927 55.9719 30.5026 172.1908 149 T 4.6182 8.1347 120.5491 60.2924 70.2298 173.7181 150 T 4.2793 8.2328 114.4078 61.8194 69.6070 174.9362 151 S 4.4536 7.7654 120.0999 58.1519 63.0140 174.2272 152 L 4.2514 8.7544 126.7788 53.5266 42.0901 175.4467 153 P 4.4970 0.0000 0.0000 62.9744 32.0221 176.1776 154 L 4.7155 8.2638 117.8268 54.1773 44.0752 178.1392 155 N 4.2985 8.2989 116.8431 56.3325 38.6452 176.6718 156 H 4.2516 8.2580 112.5420 58.1757 28.5108 176.1178 157 L 4.1880 7.7502 118.7495 55.2817 41.8961 176.7600 158 L 4.3179 7.6156 124.1481 55.6613 40.3783 176.1560 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 5 T 8.17 4.26 4.24 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 1.21 0.00 0.00 6 L 8.42 4.63 0.00 1.69 1.54 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.24 4.82 0.00 2.91 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 8 K 8.54 3.85 0.00 1.86 1.92 0.00 1.55 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.61 7.81 9 T 7.90 3.94 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 1.21 0.00 0.00 10 D 8.39 4.39 0.00 2.87 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 11 I 7.84 3.68 2.01 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 1.62 0.91 0.89 0.00 0.00 12 K 8.09 4.06 0.00 1.99 1.96 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 I 7.80 3.70 2.04 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 0.60 0.94 0.00 0.00 14 L 7.83 4.00 0.00 1.85 1.71 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.30 3.98 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 16 V 8.03 3.70 2.29 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 1.05 0.00 0.00 0.99 0.00 0.00 17 L 7.97 4.37 0.00 1.73 1.87 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.14 4.14 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 19 E 7.69 4.51 0.00 2.13 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 2.52 2.46 0.00 20 N 8.37 4.80 0.00 2.68 2.65 0.00 0.00 7.05 7.44 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 21 G 8.64 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 22 R 7.59 4.30 0.00 1.95 1.95 0.00 3.33 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 23 L 7.38 3.93 0.00 1.71 1.63 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.22 4.07 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 1.28 0.00 0.00 25 N 8.68 4.28 0.00 2.85 2.80 0.00 0.00 6.58 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 26 V 7.84 3.59 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 1.07 0.00 0.00 0.92 0.00 0.00 27 E 8.09 4.06 0.00 2.20 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 2.40 2.36 0.00 28 L 8.50 3.94 0.00 1.77 1.89 0.94 0.97 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 29 S 8.58 4.14 0.00 4.01 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 30 E 7.98 3.97 0.00 2.23 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 2.33 2.39 0.00 31 R 7.90 4.01 0.00 1.80 2.00 0.00 3.15 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 32 V 7.82 4.01 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 0.80 0.00 0.00 1.04 0.00 0.00 33 A 7.73 3.74 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.21 4.91 0.00 1.54 1.53 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.29 4.39 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.42 0.00 2.15 2.12 0.00 3.87 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 2.12 2.06 0.00 37 S 7.94 4.10 0.00 3.86 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 38 P 0.00 4.32 0.00 2.15 2.10 0.00 3.71 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 2.11 2.14 0.00 39 C 8.04 4.08 0.00 3.10 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 40 L 8.16 3.98 0.00 1.80 1.87 0.92 1.18 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 41 R 8.12 3.91 0.00 2.08 1.90 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 42 R 7.89 3.93 0.00 2.10 1.97 0.00 3.29 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 1.65 1.74 0.00 43 L 8.01 4.03 0.00 1.80 1.69 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.99 4.04 0.00 1.95 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.74 1.63 7.81 45 Q 8.01 4.01 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 46 L 7.95 4.04 0.00 1.89 1.72 0.93 0.95 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 47 E 8.36 4.00 0.00 2.22 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 0.00 2.41 2.72 0.00 48 D 8.24 4.46 0.00 2.65 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 49 A 7.93 4.23 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 50 G 7.73 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 51 I 7.38 3.70 2.02 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 1.18 0.57 0.89 0.00 0.00 52 V 7.61 3.79 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 0.25 0.00 0.00 0.87 0.00 0.00 53 R 8.23 4.35 0.00 1.91 1.99 0.00 3.11 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 54 Q 7.32 4.49 0.00 1.94 1.89 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 2.26 2.36 0.00 55 Y 8.40 4.72 0.00 3.00 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 56 A 8.28 4.64 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 57 A 8.60 4.19 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 58 L 8.42 4.59 0.00 1.63 1.60 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.12 4.53 0.00 1.53 1.52 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.24 4.38 0.00 3.84 3.72 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 61 P 0.00 4.12 0.00 2.23 1.83 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.76 0.00 62 E 8.20 4.00 0.00 2.06 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 2.43 2.48 0.00 63 S 7.94 4.26 0.00 4.03 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 64 V 7.03 4.26 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 0.72 0.00 0.00 0.92 0.00 0.00 65 N 8.14 4.20 0.00 3.00 2.84 0.00 0.00 7.04 6.16 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 66 L 8.04 5.16 0.00 1.62 1.71 0.77 1.01 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 67 G 8.32 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 0.00 0.00 0.00 68 L 8.38 4.80 0.00 1.84 1.89 0.73 0.30 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 69 Q 8.74 4.51 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 70 A 8.74 4.91 1.11 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 0.00 0.00 0.00 71 F 8.94 4.89 0.00 2.83 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 72 I 9.27 4.75 2.09 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 1.11 0.00 0.00 73 R 9.34 5.05 0.00 1.85 1.92 0.00 3.10 0.00 0.00 3.12 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 74 V 9.04 4.70 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 1.08 0.00 0.00 75 S 8.88 5.03 0.00 3.79 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 76 I 8.67 4.29 2.07 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 1.08 0.00 0.00 77 R 8.91 4.02 0.00 1.83 1.86 0.00 3.22 0.00 0.00 3.59 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 78 K 8.57 4.30 0.00 1.75 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 79 A 7.57 4.69 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 80 K 8.50 3.95 0.00 1.77 1.80 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 81 D 9.08 4.66 0.00 2.93 2.87 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 82 A 7.83 4.10 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 83 R 8.01 3.96 0.00 1.97 2.17 0.00 3.23 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 84 E 8.18 3.97 0.00 1.99 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 2.44 2.48 0.00 85 D 8.62 4.33 0.00 2.84 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 86 F 8.54 3.84 0.00 2.86 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 87 A 8.14 3.50 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 88 A 7.71 3.79 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 89 S 7.68 3.75 0.00 3.30 3.36 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 90 V 6.66 2.43 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 0.75 0.00 0.00 -0.60 0.00 0.00 91 R 7.22 3.86 0.00 1.80 1.84 0.00 3.05 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 92 K 7.23 4.60 0.00 1.66 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.48 7.81 93 W 7.44 4.97 0.00 3.50 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.36 0.00 2.03 2.11 0.00 3.77 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 95 E 8.12 3.71 0.00 1.29 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 1.98 1.47 0.00 96 V 7.57 4.42 2.31 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 0.87 0.00 0.00 1.16 0.00 0.00 97 L 8.55 4.35 0.00 1.65 1.75 0.99 0.63 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 98 S 7.85 4.61 0.00 3.80 3.69 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 99 C 7.81 5.06 0.00 2.82 2.57 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 0.00 100 F 9.32 5.10 0.00 3.06 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 0.00 101 A 8.99 4.17 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 0.00 102 L 8.27 4.85 0.00 1.73 1.57 0.96 0.69 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 0.00 103 T 8.59 4.14 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 0.00 104 G 7.54 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 0.00 0.00 0.00 105 E 8.76 3.98 0.00 1.93 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 2.29 2.33 0.00 106 T 7.68 4.28 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 0.00 107 D 8.94 4.44 0.00 2.92 2.61 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 0.00 108 Y 8.24 5.33 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 0.00 109 L 9.33 5.26 0.00 1.90 1.79 1.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.31 5.32 0.00 1.83 1.68 1.37 0.99 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 0.00 111 Q 8.96 4.67 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 112 A 8.68 5.09 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 F 8.30 5.13 0.00 2.71 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 0.00 114 F 9.36 4.99 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 9.21 4.40 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 1.29 0.00 0.00 116 D 8.14 4.49 0.00 2.89 2.28 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 *118 N 9.56 4.53 0.00 2.85 2.99 0.00 0.00 6.78 8.56 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 0.00 119 A 8.37 4.12 1.57 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 0.00 120 F 8.15 2.95 0.00 2.75 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 0.00 121 S 8.18 3.95 0.00 3.97 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 0.00 122 H 8.14 4.05 0.00 3.30 3.48 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.19 3.93 0.00 3.24 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 0.00 124 V 7.57 2.93 1.59 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 0.83 0.00 0.00 -0.13 0.00 0.00 125 L 7.56 3.89 0.00 1.64 1.60 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.80 4.56 0.00 2.43 2.53 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 0.00 127 T 6.95 4.12 3.43 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 0.21 0.00 0.00 128 L 6.99 3.81 0.00 0.67 1.25 1.19 0.77 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 0.00 129 L 7.82 4.03 0.00 1.59 1.65 0.85 0.80 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 0.00 130 S 7.77 4.28 0.00 3.94 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 0.00 131 H 7.93 4.29 0.00 3.51 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.80 4.23 0.00 3.26 3.42 0.00 5.77 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 0.00 133 G 8.01 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 0.00 134 V 7.53 4.13 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 0.69 0.00 0.00 0.70 0.00 0.00 135 Q 8.95 4.14 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 136 D 7.79 4.67 0.00 2.74 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 0.00 137 A 8.29 5.33 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 0.00 138 Q 9.27 4.71 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 139 S 8.77 5.20 0.00 3.66 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.75 0.00 3.66 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.43 5.22 0.00 2.84 2.86 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 0.00 142 V 8.47 3.83 2.16 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 0.84 0.00 0.00 1.15 0.00 0.00 143 L 8.79 4.27 0.00 1.70 1.73 0.94 0.90 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 0.00 144 K 7.60 4.44 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.44 7.81 145 E 8.73 4.47 0.00 2.04 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 2.31 2.40 0.00 146 I 8.50 4.08 1.89 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 1.31 0.95 0.92 0.00 0.00 147 K 7.62 4.56 0.00 1.67 1.64 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.44 7.81 148 H 8.50 4.62 0.00 3.14 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.13 4.62 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 1.21 0.00 0.00 150 T 8.23 4.28 4.24 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 1.20 0.00 0.00 151 S 7.77 4.45 0.00 3.91 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 0.00 152 L 8.75 4.25 0.00 1.73 1.61 0.93 1.36 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 0.00 153 P 0.00 4.50 0.00 2.21 2.06 0.00 3.71 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 0.00 154 L 8.26 4.72 0.00 1.66 1.62 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.30 4.30 0.00 2.77 2.89 0.00 0.00 6.87 8.16 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 0.00 156 H 8.26 4.25 0.00 3.26 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.75 4.19 0.00 1.66 1.69 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.62 4.32 0.00 1.72 1.58 0.94 0.71 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 * Residues marked with a * may have inaccurate shift predictions.