NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4454 8.1814 115.2930 58.1825 64.7864 175.8103 9 G 3.3929 8.0706 107.3315 47.2095 0.0000 174.1108 10 A 4.0344 8.1322 123.1111 54.6872 18.7904 177.9532 11 R 3.9210 7.8715 116.8091 59.7085 30.2354 178.2425 12 E 3.9473 8.2146 119.0998 59.3088 29.5641 178.9552 13 R 3.8966 7.9963 118.1877 59.4131 30.1121 179.2065 14 T 3.7331 8.0214 115.6668 66.5370 68.4429 176.6966 15 R 3.6249 7.7778 120.0960 59.5935 30.0845 179.4051 16 R 3.7919 8.1843 117.4127 58.9830 30.0033 179.0047 17 A 3.9549 8.1125 120.7726 55.2006 18.3082 179.7720 18 I 3.6716 7.7479 118.2861 64.4117 37.1482 178.7563 19 L 3.8695 7.8737 119.8350 57.9189 41.3409 179.2708 20 D 4.3556 8.3736 118.9103 57.1916 40.7241 178.7308 21 A 3.9842 8.1593 121.0892 55.1787 18.3312 179.5381 22 A 3.9595 8.1777 119.4065 55.4368 18.4892 179.5314 23 M 3.8916 8.0262 116.7836 58.7040 31.8083 178.5241 24 L 4.0715 7.7506 119.2778 57.7361 41.7380 179.5863 25 V 3.5776 7.9132 118.1548 66.2062 31.2960 178.1777 26 L 4.3159 8.4233 118.6652 57.0870 41.4592 178.9755 27 A 4.4352 8.0829 120.1224 54.4683 18.4083 177.7525 28 D 4.8140 7.5402 113.9812 54.3922 42.4264 176.1270 29 H 4.9408 8.4831 116.8144 53.1713 32.4994 171.9262 30 P 4.2802 0.0000 0.0000 65.5600 31.3242 176.5068 31 T 4.4680 7.6525 105.6726 59.9722 70.6959 174.6713 32 A 4.3877 8.1011 126.4974 50.4994 18.0638 177.0875 33 A 4.1476 7.9587 123.0481 51.8173 20.6632 177.4822 34 L 3.9968 8.6418 124.7055 58.3319 42.1724 179.8402 35 G 3.6658 8.0828 104.9268 48.0127 0.0000 175.1394 36 D 4.3526 8.0041 121.0077 57.0502 40.9255 178.8780 37 I 3.7019 7.8085 119.9983 64.3434 37.2667 178.3591 38 A 4.0053 8.1880 121.4320 55.1601 18.0781 179.5536 39 A 3.9495 8.0550 119.0639 55.2913 18.2410 179.7701 40 A 3.9581 8.0497 118.0472 54.8047 18.5116 179.1731 41 A 4.2074 8.0824 118.4592 52.2156 19.0291 177.4758 42 G 3.8282 7.7266 105.0931 47.1032 0.0000 173.6598 43 V 4.5480 7.5473 110.5084 58.3824 35.9083 176.2525 44 G 3.8227 8.3413 109.6226 45.4977 0.0000 174.9257 45 R 3.9813 8.7647 120.8796 59.3140 30.0429 179.6129 46 S 4.2720 8.0534 113.2601 61.4379 63.1651 176.6151 47 T 4.0017 7.8353 119.6396 66.3812 68.2078 176.7413 48 V 3.7193 7.8590 119.7531 66.5403 31.4175 177.4864 49 H 4.6618 8.0466 117.6430 58.4949 29.6735 176.8868 50 R 3.9411 7.7880 120.1736 59.6251 30.0040 177.7691 51 Y 3.9575 7.7059 114.6841 59.2861 38.8583 175.3294 52 Y 4.7408 8.3100 118.0088 54.8825 39.1456 173.6591 53 P 4.0823 0.0000 0.0000 64.4640 32.0951 176.8855 54 E 4.8004 8.5678 118.7995 54.5107 32.5410 177.9823 55 R 4.0274 8.5679 123.4100 61.7531 29.4739 178.8771 56 T 4.0766 7.8547 111.5026 65.4269 67.3955 175.9930 57 D 4.4498 8.1407 121.1708 57.0418 40.8128 178.4845 58 L 3.0743 7.6838 120.4549 57.7673 42.2205 178.5066 59 L 3.9518 7.7952 120.3112 58.1480 41.9597 178.9779 60 R 4.2384 8.2144 119.2725 58.9889 30.1051 178.3518 61 A 4.0566 7.9795 120.6211 54.9563 18.2718 179.3295 62 L 3.8303 8.3874 119.0912 58.2166 42.1631 179.0326 63 A 4.0018 8.2262 120.6955 55.2544 18.2461 179.5592 64 R 3.7739 7.7958 116.7422 59.7521 30.0386 178.2649 65 H 4.1405 8.2741 118.0848 59.1277 29.8127 177.3730 66 V 3.3366 7.9332 120.4341 66.2557 31.2127 177.6118 67 H 4.1770 8.0587 115.8504 59.0594 28.5777 177.4554 68 D 4.3497 8.3120 120.7367 57.3475 40.6578 178.9229 69 L 3.9412 8.0235 119.5570 58.0013 41.6515 179.8124 70 S 4.1385 8.1978 115.1870 61.4553 62.7094 176.3087 71 N 4.2692 8.5054 119.8387 56.7149 38.7798 176.8374 72 A 3.9922 8.1449 121.9449 54.9627 18.4499 179.4765 73 A 3.9415 8.1532 119.3659 55.4442 18.4057 179.7840 74 I 3.7416 7.9520 117.1721 64.1006 37.8099 177.9631 75 E 3.9755 7.9976 118.9608 59.3907 29.3738 179.0175 76 R 4.0314 7.9970 117.5119 59.0506 30.1922 178.0878 77 A 4.0237 8.0170 120.0826 52.5889 19.6065 176.7020 78 D 4.2841 7.9902 116.4829 54.9012 40.0268 173.0255 79 P 4.3014 0.0000 0.0000 65.4582 32.0167 178.3168 80 T 4.1862 7.7872 106.1981 62.2842 69.4885 174.4793 81 S 4.5535 7.7874 119.0397 57.8677 64.5283 174.8763 82 G 3.8694 8.6917 111.7316 44.0310 0.0000 171.2579 83 P 4.2173 0.0000 0.0000 63.2021 32.5777 178.0943 84 V 3.7042 8.4439 122.1390 64.5630 31.4631 178.4346 85 D 4.2778 8.0372 119.5027 56.4266 39.3794 178.3298 86 A 3.9831 7.9439 121.8098 54.5151 18.4831 179.2605 87 A 3.9120 8.0587 119.3699 55.2173 18.3903 179.5583 88 L 3.8394 8.0872 118.9937 58.2745 42.0511 179.1940 89 R 3.8862 7.8627 118.1487 59.4855 29.9713 178.6416 90 R 4.1553 7.9865 119.2295 58.5810 29.9980 179.1324 91 V 3.5571 7.8872 117.9283 66.0147 31.5272 177.9805 92 V 3.6355 8.0839 118.2165 66.3010 31.4041 177.7254 93 E 3.9932 8.4373 118.4658 59.5079 29.0947 179.5894 94 S 4.2757 8.0958 113.2107 61.6369 63.3396 176.2628 95 Q 4.2518 8.4467 121.7616 58.3727 28.5506 178.0873 96 L 4.0403 8.1931 121.5970 58.3202 41.9338 178.5821 97 D 4.5884 7.9437 116.8833 56.2459 40.9690 177.7685 98 L 4.2067 8.0241 119.3192 54.5463 42.0439 177.9556 99 G 3.8552 8.6274 109.0246 46.1804 0.0000 175.4842 100 P 3.5022 0.0000 0.0000 64.2234 31.1188 177.7827 101 I 3.6523 7.2716 120.6975 64.7903 36.7533 178.3271 102 V 3.6937 7.2819 111.7964 63.8163 31.6347 178.1808 103 L 4.0177 7.8879 118.8638 56.5673 41.1067 178.1578 104 F 4.5779 7.7272 115.4507 56.6432 39.1428 176.0600 105 V 3.3882 7.3960 121.7825 63.2207 31.6154 175.8515 106 Y 4.0723 8.7303 128.8938 61.0175 38.7603 177.0381 107 Y 4.1803 8.0030 118.7991 60.2643 39.4548 175.6579 108 E 4.6051 7.4096 118.6253 54.3614 30.4989 172.5128 109 P 4.4275 0.0000 0.0000 61.4651 32.9095 176.7862 110 S 4.2546 8.6269 116.0493 58.0237 62.8866 175.0140 111 I 3.5956 8.3536 125.7888 64.0424 37.6124 176.7458 112 L 4.1600 7.6549 117.5526 55.6362 42.1113 176.7547 113 A 3.7056 7.5090 122.7586 51.4166 18.6577 177.1805 114 D 4.3634 8.8773 122.6678 54.2020 42.1648 175.2462 115 P 4.2596 0.0000 0.0000 65.8268 31.4271 178.4264 116 E 4.0615 8.7270 117.3894 58.9225 29.2806 179.2947 117 L 3.7866 8.1003 118.7079 57.5603 41.7006 178.9984 118 A 4.3539 8.3860 120.5223 55.4073 18.1440 179.5287 119 A 4.4807 8.1258 118.1072 55.4901 18.5906 179.0312 120 Y 4.0918 8.0594 117.9846 60.9911 38.7011 178.2334 121 F 4.2882 7.9443 117.4538 58.4082 40.3813 174.8301 122 D 4.0542 8.1475 115.9910 54.8915 39.3448 172.0554 123 I 4.1820 7.4980 119.9904 59.3901 38.1346 176.1754 124 G 4.4896 8.2131 116.1290 45.1045 0.0000 173.1148 125 D 4.7891 8.1935 117.2056 51.9770 39.8269 177.1207 126 E 3.8571 8.6787 122.8402 60.3567 29.7105 177.8805 127 A 3.9961 7.9631 120.2532 55.1448 18.4685 179.5897 128 I 3.4686 7.6233 117.9392 64.2997 37.2872 178.3197 129 V 3.4524 7.8903 119.3123 66.3258 31.2507 178.0168 130 E 3.9763 8.2767 118.3033 59.1526 29.0445 179.6740 131 V 3.5849 7.3788 118.2698 64.7374 31.7934 178.1374 132 L 4.0011 7.8336 119.6491 57.5313 41.3933 179.2469 133 N 4.3369 8.2245 116.4494 56.3206 38.2688 177.4293 134 R 3.9553 7.9912 118.7512 58.4262 30.1027 177.3820 135 A 4.6071 7.3594 117.5703 50.9830 19.6399 176.2783 136 S 4.6927 7.1164 115.0944 56.8207 65.5066 172.1894 *140 P 4.2619 0.0000 0.0000 61.3376 32.2821 177.4330 141 E 4.4551 8.1615 118.3076 53.8116 29.8000 175.1163 142 Y 4.6155 7.7585 123.6992 56.3911 40.1825 174.0899 143 P 4.4641 0.0000 0.0000 61.8738 32.1347 174.1632 144 P 4.4743 0.0000 0.0000 64.5776 31.7108 177.3292 145 G 4.1616 9.1223 110.9383 45.8081 0.0000 175.1902 146 W 4.1963 8.4282 129.2937 60.5666 30.6163 177.5228 147 A 3.7770 8.1573 120.2209 55.1531 17.8301 179.3171 148 R 3.7866 7.9429 116.5436 59.6865 30.1661 178.8057 149 R 4.0496 8.0423 117.8122 59.2815 29.9639 179.2617 150 V 3.2171 7.3837 118.1168 65.6080 31.4267 177.6917 151 F 3.8468 8.2269 120.6447 61.2290 39.2078 177.2465 152 W 4.1950 8.1122 118.1354 59.6078 28.7981 178.3735 153 A 4.0183 8.2350 120.9059 55.2515 17.7346 179.7451 154 L 3.8671 8.0470 117.6834 57.9866 41.5478 179.5890 155 M 3.8815 7.7581 118.7796 58.3737 31.7840 178.8493 156 Q 4.0625 8.2877 118.0128 58.8671 28.9122 178.4850 157 A 4.0771 8.2612 122.0768 55.1475 18.3998 179.9862 158 G 3.5024 8.1956 104.2813 47.9145 0.0000 175.1704 159 Y 4.1899 8.2929 122.3935 60.7357 38.8253 178.2727 160 E 3.5884 8.3863 119.1287 59.1669 29.4778 179.2610 161 A 3.9175 8.0715 120.6648 55.0219 18.4170 179.5884 162 A 4.1429 7.9018 120.6504 54.6608 18.2438 179.8045 163 K 3.8025 7.7439 117.3795 58.9940 32.1505 177.4009 164 D 4.7156 7.5075 116.5701 53.9971 41.2309 176.7231 165 G 3.9470 7.8589 105.4674 45.0824 0.0000 173.7031 166 M 4.3251 7.9282 120.0449 53.6573 33.2866 173.8406 167 P 4.5545 0.0000 0.0000 63.1662 33.4576 178.6603 168 R 3.9699 8.5767 123.2743 61.8263 29.3929 177.8184 169 H 4.3859 8.1514 118.2578 59.3573 29.9747 177.3017 170 Q 4.0016 8.0616 119.3901 58.8441 28.4875 178.7823 171 I 3.6821 7.5203 121.1115 64.2093 37.2061 178.4135 172 V 3.5449 7.7590 119.0455 66.3183 31.3374 177.7744 173 D 4.3112 7.9765 118.2031 57.2524 40.6010 178.7523 174 A 3.9686 8.0346 121.2896 55.1732 18.3110 179.7686 175 I 3.6127 8.0988 118.7533 64.7336 37.2926 178.5600 176 M 4.0451 8.0922 119.4708 58.8114 31.7107 179.0564 177 T 3.9295 7.9381 115.8264 66.6740 68.6690 177.0763 178 S 4.1270 8.2191 117.1512 61.5519 62.6039 176.7310 179 L 4.0044 8.0754 121.2883 57.6018 41.4740 178.9307 180 T 4.3913 7.7029 107.2064 62.6583 69.5266 175.6198 181 S 4.5026 8.1854 114.7718 56.6020 65.4112 175.1748 182 G 3.9225 7.9175 108.5629 44.5491 0.0000 172.3955 183 I 4.4555 8.3275 109.3882 60.2346 39.4319 174.9995 184 I 4.7358 7.5647 112.6519 59.2719 40.6567 175.2846 185 T 4.1984 8.3278 116.3617 63.8494 68.9356 174.2103 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 8 S 8.18 4.45 0.00 3.88 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 9 G 8.07 3.39 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 0.00 10 A 8.13 4.03 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 11 R 7.87 3.92 0.00 1.96 2.16 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 12 E 8.21 3.95 0.00 2.29 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 0.00 2.32 2.41 0.00 13 R 8.00 3.90 0.00 2.10 1.95 0.00 3.18 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 1.65 1.82 0.00 14 T 8.02 3.73 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 0.91 0.00 0.00 15 R 7.78 3.62 0.00 1.97 2.01 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 16 R 8.18 3.79 0.00 1.91 1.93 0.00 3.24 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 17 A 8.11 3.95 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 18 I 7.75 3.67 2.06 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 1.01 0.00 0.00 19 L 7.87 3.87 0.00 1.51 1.60 0.90 0.80 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 20 D 8.37 4.36 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.16 3.98 1.43 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 0.00 0.00 22 A 8.18 3.96 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 23 M 8.03 3.89 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 24 L 7.75 4.07 0.00 1.89 1.77 0.97 0.98 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 V 7.91 3.58 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.99 0.00 0.00 26 L 8.42 4.32 0.00 1.89 1.84 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.08 4.44 1.55 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 0.00 0.00 28 D 7.54 4.81 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.48 4.94 0.00 3.30 3.15 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.28 0.00 2.05 2.15 0.00 3.71 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 2.06 2.12 0.00 31 T 7.65 4.47 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 32 A 8.10 4.39 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 33 A 7.96 4.15 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 34 L 8.64 4.00 0.00 1.79 1.70 1.02 1.02 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 35 G 8.08 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 0.00 0.00 0.00 36 D 8.00 4.35 0.00 2.84 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 37 I 7.81 3.70 1.89 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 1.46 0.93 0.92 0.00 0.00 38 A 8.19 4.01 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 39 A 8.06 3.95 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 40 A 8.05 3.96 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 41 A 8.08 4.21 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 42 G 7.73 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 0.00 0.00 0.00 43 V 7.55 4.55 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 0.70 0.00 0.00 0.94 0.00 0.00 44 G 8.34 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 45 R 8.76 3.98 0.00 1.88 2.03 0.00 3.14 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 46 S 8.05 4.27 0.00 4.07 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 47 T 7.84 4.00 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 1.36 0.00 0.00 48 V 7.86 3.72 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 1.11 0.00 0.00 0.99 0.00 0.00 49 H 8.05 4.66 0.00 3.22 3.51 0.00 5.85 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 50 R 7.79 3.94 0.00 1.97 2.15 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.00 51 Y 7.71 3.96 0.00 2.67 1.95 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 52 Y 8.31 4.74 0.00 2.99 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 53 P 0.00 4.08 0.00 2.01 2.03 0.00 3.77 0.00 0.00 3.60 0.00 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0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.69 -0.04 0.00 0.00 129 V 7.89 3.45 2.18 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 0.96 0.00 0.00 0.94 0.00 0.00 130 E 8.28 3.98 0.00 2.13 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 0.00 2.59 2.43 0.00 131 V 7.38 3.58 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 0.58 0.00 0.00 0.85 0.00 0.00 132 L 7.83 4.00 0.00 1.74 1.65 0.54 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.22 4.34 0.00 2.89 2.85 0.00 0.00 6.65 7.20 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 0.00 134 R 7.99 3.96 0.00 1.94 2.11 0.00 3.21 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 135 A 7.36 4.61 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 0.00 136 S 7.12 4.69 0.00 4.03 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 *140 P 0.00 4.26 0.00 2.03 1.88 0.00 3.39 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 1.35 1.75 0.00 141 E 8.16 4.46 0.00 1.99 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 1.99 2.14 0.00 142 Y 7.76 4.62 0.00 3.16 3.02 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 0.00 0.00 0.00 143 P 0.00 4.46 0.00 2.30 2.04 0.00 3.64 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 1.96 2.07 0.00 144 P 0.00 4.47 0.00 2.13 2.09 0.00 3.79 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 2.09 2.16 0.00 145 G 9.12 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 0.00 146 W 8.43 4.20 0.00 3.53 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 0.00 147 A 8.16 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 R 7.94 3.79 0.00 1.84 2.20 0.00 2.87 0.00 0.00 2.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.84 0.00 149 R 8.04 4.05 0.00 1.72 1.80 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.10 0.00 150 V 7.38 3.22 1.79 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 0.91 0.00 0.00 -0.04 0.00 0.00 151 F 8.23 3.85 0.00 2.93 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 0.00 152 W 8.11 4.20 0.00 3.54 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 0.00 153 A 8.23 4.02 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 0.00 154 L 8.05 3.87 0.00 1.62 1.55 0.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 155 M 7.76 3.88 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.20 0.00 156 Q 8.29 4.06 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 157 A 8.26 4.08 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 0.00 158 G 8.20 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 0.00 159 Y 8.29 4.19 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.39 3.59 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 161 A 8.07 3.92 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 0.00 162 A 7.90 4.14 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 0.00 163 K 7.74 3.80 0.00 1.20 1.70 0.00 1.77 0.00 0.00 1.37 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.32 7.81 164 D 7.51 4.72 0.00 2.74 2.67 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 0.00 165 G 7.86 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 0.00 166 M 7.93 4.33 0.00 2.10 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 167 P 0.00 4.55 0.00 2.21 1.96 0.00 3.77 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 2.11 2.15 0.00 168 R 8.58 3.97 0.00 1.81 1.94 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 169 H 8.15 4.39 0.00 3.24 3.35 0.00 5.84 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 0.00 170 Q 8.06 4.00 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 171 I 7.52 3.68 1.99 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 1.38 0.81 0.95 0.00 0.00 172 V 7.76 3.54 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 1.01 0.00 0.00 0.93 0.00 0.00 173 D 7.98 4.31 0.00 2.81 2.65 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 0.00 174 A 8.03 3.97 1.37 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 0.00 0.00 175 I 8.10 3.61 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.80 0.00 0.00 176 M 8.09 4.05 0.00 2.03 2.21 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 2.61 2.85 0.00 177 T 7.94 3.93 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 0.00 178 S 8.22 4.13 0.00 3.98 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 0.00 179 L 8.08 4.00 0.00 1.83 1.75 0.99 1.19 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 0.00 180 T 7.70 4.39 4.26 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 1.26 0.00 0.00 181 S 8.19 4.50 0.00 3.93 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 0.00 182 G 7.92 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 0.00 0.00 0.00 183 I 8.33 4.46 1.88 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 1.49 0.80 0.91 0.00 0.00 184 I 7.56 4.74 1.88 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 1.43 0.63 0.92 0.00 0.00 185 T 8.33 4.20 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 * Residues marked with a * may have inaccurate shift predictions.