NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2758 8.3344 115.2867 57.3136 64.3553 172.9497 3 V 4.2627 7.5579 122.1174 60.2294 33.2718 170.5556 4 E 4.6132 9.6270 131.1594 54.8536 32.1464 173.9772 5 I 4.9144 8.2127 126.5738 59.5978 39.0782 174.8237 6 K 4.6842 8.8065 127.1132 54.3902 36.3171 175.0258 7 R 4.6085 8.6364 124.9759 56.3527 30.9381 175.6203 8 V 4.2964 8.7922 127.3699 61.8072 32.6425 175.5520 9 D 4.9668 8.6156 127.7701 51.4735 41.5761 177.2932 10 K 3.3099 8.5016 117.8465 59.9757 32.4828 178.4465 11 H 4.2477 7.7798 116.5099 58.0170 29.9895 175.1909 12 H 4.7326 7.9691 115.8174 55.6051 29.4228 175.5240 13 C 3.5200 7.3855 118.4418 61.1731 28.9873 175.5480 14 L 4.0082 7.5650 120.1584 56.7592 41.0164 178.5453 15 D 4.4301 7.9526 118.8085 56.6715 41.0053 177.6761 16 L 4.2681 7.7415 118.3405 55.2953 41.7919 178.7491 17 V 3.5981 7.5151 119.7594 65.9894 31.4832 177.6261 18 G 3.9085 8.2159 104.8378 48.3375 0.0000 175.1833 19 I 4.0372 7.8526 120.7080 63.3862 38.0796 177.7903 20 F 3.9531 8.5567 119.1311 60.2081 38.6406 177.5190 21 I 3.7585 8.1131 119.7022 64.5537 36.9580 178.0201 22 E 4.0150 8.1271 119.4574 59.2171 29.5074 178.5336 23 L 3.2015 7.7680 120.4240 57.8759 41.9428 178.8300 24 E 4.0433 8.6153 118.8269 59.5563 29.4302 179.5999 25 R 3.9852 8.3911 118.4194 59.3340 29.9067 178.4825 26 Y 3.9331 8.0325 118.3153 60.9066 38.9419 177.2701 27 Y 3.9735 7.8023 115.7376 59.0612 38.5017 176.1638 28 F 5.1313 7.9647 115.6755 55.7822 42.4258 176.7311 29 G 3.8461 8.0001 111.0668 46.4903 0.0000 177.6852 30 D 4.4391 9.0472 124.5774 56.6947 40.6280 176.7019 31 K 4.3791 8.0527 117.1758 56.1950 31.8901 176.8019 32 A 4.3982 7.7824 122.6482 51.9013 18.8043 178.4241 33 A 4.2055 8.8557 125.6675 51.6899 19.3171 178.4913 34 S 4.4579 8.4168 115.8874 57.8552 65.3068 175.3722 35 E 3.9821 8.6294 122.5577 59.5730 29.4048 178.9786 36 Q 4.0090 8.0290 117.6853 58.8074 28.8009 177.7678 37 D 4.4428 7.9595 119.7170 57.8284 40.9838 179.3437 38 L 4.1523 8.0788 118.7998 57.5487 41.5653 179.3726 39 A 3.9515 8.1795 120.9121 55.0588 18.2706 179.1962 40 N 4.2781 8.2779 115.4507 57.0431 39.1230 176.0922 41 Y 4.3361 8.3685 121.3370 61.0041 38.7556 178.3876 42 L 3.8227 8.4604 119.7061 58.1012 41.5657 179.8430 43 S 4.0816 8.0429 113.5932 60.8293 62.8280 175.4057 44 H 4.9287 8.2701 115.1274 55.7093 29.9930 173.4341 45 Q 4.4178 7.6829 117.1263 57.3473 31.5372 177.7274 46 V 3.3165 7.7625 117.6151 65.3729 31.6664 177.3277 47 F 4.6067 7.8098 117.5909 56.9682 38.9657 176.0301 48 S 4.5655 7.5574 115.9368 57.1572 64.2995 174.7168 49 E 4.0334 8.5766 119.5260 59.1143 29.2457 177.7802 50 H 4.6297 7.5155 110.8297 55.4010 29.1182 175.2048 51 S 4.1641 7.3850 115.7406 58.2583 62.5351 174.1319 52 G 3.7896 8.5823 115.5013 46.5271 0.0000 173.5860 53 V 4.4006 7.1029 112.6425 59.8427 33.8166 175.5284 54 K 4.3763 7.9833 122.2704 54.6549 35.5915 175.2910 55 V 5.0771 8.1045 120.4657 61.2655 34.5983 174.1771 56 I 5.2017 9.0151 120.8754 59.3147 40.7882 174.3504 57 A 5.3874 9.1410 124.4484 50.3413 23.0422 174.7177 58 A 5.0217 9.2057 123.4506 50.7046 20.9473 176.4413 59 V 4.8625 9.1793 122.9882 61.0128 34.9288 174.0136 60 E 4.5704 8.6764 127.9052 54.8353 32.6500 175.1311 61 H 4.2685 9.3716 125.4924 57.2964 26.1690 174.7098 62 D 4.4575 8.2850 113.2753 54.6048 40.3644 172.5569 63 K 4.6292 7.5892 116.4506 54.5005 34.4945 175.4576 64 V 4.4008 8.3114 122.4005 62.6470 32.1813 175.5732 65 L 4.5038 8.8469 127.4140 55.6859 43.5660 176.3986 66 G 4.4793 7.7502 104.1250 45.9537 0.0000 172.1710 67 F 5.7083 8.6056 114.3718 55.3574 42.0438 173.1948 68 A 5.2184 9.2117 120.6212 50.4375 22.6500 175.0481 69 T 5.4110 8.6600 110.8862 60.2856 71.2556 173.1173 70 Y 5.2529 8.4508 120.7795 56.1941 41.9503 173.4269 71 T 4.8589 9.1390 114.3719 60.6637 70.9973 172.6833 72 I 4.6500 8.2404 124.9609 59.5162 40.2823 175.1146 *74 F 4.4141 8.3976 121.5759 56.8147 39.8388 173.3919 75 P 4.8526 0.0000 0.0000 62.4522 32.5111 174.5372 76 A 4.6157 7.9590 119.9922 50.1751 21.9283 174.2531 77 P 4.4148 0.0000 0.0000 63.3305 31.9194 176.5306 78 K 4.2994 8.9412 116.0657 58.2454 29.8230 175.4778 79 L 3.7144 8.2352 112.7741 55.6154 39.0948 173.0287 80 S 4.8123 7.7121 110.5042 57.1749 67.0899 174.6398 81 G 3.3428 8.8138 106.7173 45.4843 0.0000 173.2798 82 Q 4.9723 7.5109 122.0742 54.5700 32.2119 172.3376 *84 Y 5.2230 7.9321 116.4432 57.9299 39.8140 174.9672 *86 K 4.5421 8.6572 117.5770 56.4173 34.0897 177.0289 87 D 4.9357 7.9202 117.0708 52.3173 45.4367 174.0645 88 L 4.9480 8.4294 123.2390 53.1612 45.0304 175.3759 89 F 4.5493 8.5446 127.7118 56.5609 43.0440 172.8808 90 V 4.5424 7.0831 125.4763 60.4362 33.6792 174.9464 91 S 4.3313 9.1268 123.4746 58.5675 62.7090 175.4383 92 S 3.9984 9.2559 122.1004 61.0455 62.7116 175.4869 93 S 4.2999 7.9177 113.7306 59.1614 63.1765 174.3553 94 A 4.5972 7.9954 123.7977 51.5687 19.5119 176.0052 95 R 3.8106 7.6085 117.3413 58.1409 30.4976 176.8263 96 G 3.9189 8.9548 112.5062 45.3984 0.0000 173.6960 97 K 4.3024 7.3875 116.1146 55.3842 32.6872 176.5184 98 G 3.9337 8.0081 106.8858 46.8149 0.0000 176.3179 99 I 3.7201 7.9325 122.6248 64.0448 36.8242 177.9953 100 G 3.5067 7.8211 104.7038 47.6748 0.0000 174.8841 101 L 4.2385 7.8811 121.1903 58.0918 42.5350 178.5561 102 Q 4.2087 8.0384 117.8910 58.8294 28.5151 179.2567 103 L 4.0080 8.0051 116.5934 55.4844 41.3313 179.0823 *105 K 4.1580 7.9515 120.3920 56.8460 34.2566 177.6849 106 H 4.0228 8.2888 117.7862 59.3030 29.6552 177.1147 107 L 3.6817 8.0483 120.5860 57.7850 41.5051 179.4200 108 A 3.9242 7.7289 120.0496 55.3646 18.3984 179.6839 109 T 3.7855 7.7601 114.2579 66.7918 68.3850 176.9608 110 I 3.6817 7.5520 121.4549 64.1566 37.0390 178.1228 111 A 3.9933 8.0145 121.9385 55.4011 18.0009 179.8322 112 I 3.8596 7.4279 109.7534 64.0065 37.8710 177.8517 113 T 4.2163 7.7376 109.0275 63.0177 68.9290 174.6347 114 H 4.8256 7.6484 119.0057 55.5555 29.9129 173.0369 115 N 4.1764 8.1458 114.3053 54.8502 37.2716 172.9070 116 C 5.3228 8.2633 113.1895 57.7417 29.9064 174.4325 117 Q 4.5209 8.5644 121.1928 55.9117 29.5122 175.8440 118 R 4.6331 7.6295 116.0469 54.0078 33.8570 174.2124 119 L 4.6996 8.5980 122.6409 53.4987 44.1703 175.2273 120 D 5.0510 8.2616 125.4650 52.5728 43.8266 174.9597 121 W 4.1523 7.2732 116.7026 56.2480 30.2196 173.1568 122 T 4.4911 8.3663 107.8529 59.6989 70.9011 172.6171 123 A 4.9424 8.0336 123.5880 50.5088 22.7617 175.2053 124 E 4.5130 8.5129 118.7669 55.1661 30.6709 178.2456 125 S 4.2956 8.5981 117.4945 60.6742 63.4169 174.8274 126 T 4.3272 7.7896 110.0974 61.8522 69.4988 174.1577 127 N 5.0612 7.9474 119.9399 51.4741 39.1091 173.6962 128 P 4.3352 0.0000 0.0000 65.6151 31.6801 178.4175 129 T 3.7892 7.9827 114.4145 66.6070 68.4185 175.5955 130 A 3.8673 8.0843 122.5031 55.3970 18.3864 179.8110 131 G 3.8633 8.2117 103.3332 47.9515 0.0000 175.7261 132 K 3.9578 8.0995 120.7260 59.1714 32.1224 178.8914 133 F 4.2147 8.2553 122.4233 60.9131 39.2124 176.7144 134 Y 4.1386 8.2422 116.2468 61.2169 37.8858 178.8657 135 K 4.0291 8.8192 119.8791 59.5202 31.9290 179.5566 136 S 4.2324 8.5464 115.0428 60.5245 62.6233 175.4624 137 I 4.3260 7.0627 114.4324 60.5554 37.6816 176.2690 138 G 3.9356 7.8473 107.9153 45.3314 0.0000 174.0879 139 A 4.2466 7.5550 121.9148 51.9270 19.0429 177.4965 140 S 4.6289 8.2140 116.8729 56.6913 64.6276 173.7697 141 L 4.0923 8.2567 126.5929 54.2061 42.7390 176.6127 142 I 4.1748 7.8450 127.6427 59.8368 36.0763 176.3907 143 R 4.0209 8.1786 124.7079 58.6144 30.2846 178.2828 144 E 4.0872 8.0027 115.8822 57.8016 29.8301 176.7760 145 K 4.1261 7.7572 121.0635 55.9691 32.5855 175.5706 146 E 4.5071 8.7064 125.7872 54.5993 31.3841 174.4825 147 Y 4.3786 8.2755 124.3273 55.9915 40.0803 174.2083 148 Y 4.8040 7.9089 124.0715 56.4655 41.1301 175.0385 149 R 4.6449 8.1741 119.7788 55.4370 33.1312 174.0717 150 F 4.8384 8.7205 123.5115 55.9641 41.0786 174.6665 151 E 4.7915 8.7000 120.7582 55.3091 33.6771 177.8834 152 G 3.8225 8.3966 109.1818 46.4251 0.0000 176.1373 153 N 4.4989 8.9456 120.9403 55.6700 38.3039 176.5678 154 G 3.8131 8.1984 106.9001 47.9374 0.0000 175.1629 155 L 3.9882 8.0922 123.2799 57.8359 42.0006 178.8535 156 N 4.3281 8.0966 116.2873 56.2849 38.6376 177.5100 157 K 3.9425 8.4619 120.3212 59.2633 31.8898 179.1640 158 L 3.7678 7.5057 118.9148 58.0546 42.3724 178.4315 159 A 4.0449 7.8282 120.6906 55.2066 18.0936 179.5627 160 K 4.0093 8.2156 117.3000 59.0009 32.3567 178.4438 161 S 4.3280 7.5562 112.1889 59.1558 63.2278 173.8561 162 L 4.0618 7.5892 129.6487 55.6317 41.7870 176.2656 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 2 S 8.33 4.28 0.00 3.83 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 3 V 7.56 4.26 2.06 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 0.79 0.00 0.00 0.91 0.00 0.00 4 E 9.63 4.61 0.00 2.09 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 2.23 2.27 0.00 5 I 8.21 4.91 1.66 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 1.20 0.98 0.72 0.00 0.00 6 K 8.81 4.68 0.00 1.78 1.58 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 7 R 8.64 4.61 0.00 1.99 1.90 0.00 3.41 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 8 V 8.79 4.30 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 0.80 0.00 0.00 1.02 0.00 0.00 9 D 8.62 4.97 0.00 3.00 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 10 K 8.50 3.31 0.00 1.88 2.22 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.40 7.81 11 H 7.78 4.25 0.00 3.07 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 7.97 4.73 0.00 3.17 3.37 0.00 5.87 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.39 3.52 0.00 2.37 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 14 L 7.56 4.01 0.00 1.59 1.67 0.85 1.01 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 15 D 7.95 4.43 0.00 2.68 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 16 L 7.74 4.27 0.00 1.55 1.26 0.94 0.73 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 17 V 7.52 3.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.90 0.00 0.00 18 G 8.22 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 19 I 7.85 4.04 2.08 0.00 0.00 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 2.16 1.68 1.17 0.00 0.00 20 F 8.56 3.95 0.00 3.27 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.11 3.76 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 0.98 0.00 0.00 22 E 8.13 4.02 0.00 2.19 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 0.00 2.77 2.54 0.00 23 L 7.77 3.20 0.00 0.77 1.35 0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.62 4.04 0.00 2.31 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 0.00 2.54 2.62 0.00 25 R 8.39 3.99 0.00 2.07 2.04 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 26 Y 8.03 3.93 0.00 3.18 3.23 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 27 Y 7.80 3.97 0.00 1.99 1.83 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 28 F 7.96 5.13 0.00 3.16 2.93 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 29 G 8.00 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 0.00 0.00 0.00 30 D 9.05 4.44 0.00 2.70 2.77 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 31 K 8.05 4.38 0.00 1.98 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.41 7.81 32 A 7.78 4.40 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 33 A 8.86 4.21 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 34 S 8.42 4.46 0.00 4.05 4.02 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 35 E 8.63 3.98 0.00 2.08 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 2.39 2.41 0.00 36 Q 8.03 4.01 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 37 D 7.96 4.44 0.00 2.99 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 38 L 8.08 4.15 0.00 1.91 1.81 1.09 0.98 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 39 A 8.18 3.95 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 40 N 8.28 4.28 0.00 3.00 3.06 0.00 0.00 6.86 6.90 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 41 Y 8.37 4.34 0.00 3.12 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 42 L 8.46 3.82 0.00 1.76 1.55 0.55 0.30 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 43 S 8.04 4.08 0.00 3.59 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 44 H 8.27 4.93 0.00 3.12 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.68 4.42 0.00 2.03 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 46 V 7.76 3.32 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 0.38 0.00 0.00 0.39 0.00 0.00 47 F 7.81 4.61 0.00 3.07 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 48 S 7.56 4.57 0.00 3.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.58 4.03 0.00 2.01 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 0.00 2.32 2.25 0.00 50 H 7.52 4.63 0.00 3.31 3.40 0.00 5.56 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.38 4.16 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.58 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 53 V 7.10 4.40 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 0.69 0.00 0.00 0.76 0.00 0.00 54 K 7.98 4.38 0.00 0.86 1.58 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.10 7.81 55 V 8.10 5.08 2.24 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 1.38 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.77 0.00 0.00 *74 F 8.40 4.41 0.00 3.06 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 75 P 0.00 4.85 0.00 2.25 2.15 0.00 3.83 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 76 A 7.96 4.62 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 77 P 0.00 4.41 0.00 2.20 1.99 0.00 3.75 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 2.11 2.11 0.00 78 K 8.94 4.30 0.00 1.91 1.90 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.45 7.81 79 L 8.24 3.71 0.00 1.79 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.71 4.81 0.00 4.16 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 81 G 8.81 3.34 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.82 4.03 0.00 1.90 1.87 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.62 7.81 136 S 8.55 4.23 0.00 3.99 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 0.00 137 I 7.06 4.33 1.73 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.61 0.00 0.00 138 G 7.85 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 0.00 0.00 0.00 139 A 7.56 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.63 0.00 3.79 3.74 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 0.00 141 L 8.26 4.09 0.00 1.52 1.52 0.84 1.01 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 0.00 142 I 7.85 4.17 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.88 0.00 0.00 143 R 8.18 4.02 0.00 1.78 1.98 0.00 3.19 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 144 E 8.00 4.09 0.00 1.95 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 2.31 2.28 0.00 145 K 7.76 4.13 0.00 1.90 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.48 7.81 146 E 8.71 4.51 0.00 2.06 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 2.16 2.26 0.00 147 Y 8.28 4.38 0.00 2.86 2.70 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 0.00 148 Y 7.91 4.80 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 0.00 149 R 8.17 4.64 0.00 1.90 1.85 0.00 3.31 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 150 F 8.72 4.84 0.00 3.09 2.93 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 0.00 151 E 8.70 4.79 0.00 2.16 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 2.33 2.36 0.00 152 G 8.40 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 0.00 153 N 8.95 4.50 0.00 2.81 2.91 0.00 0.00 6.71 7.60 0.00 0.00 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 G 8.20 3.81 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 0.00 0.00 0.00 155 L 8.09 3.99 0.00 1.97 1.93 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.10 4.33 0.00 2.97 2.85 0.00 0.00 7.04 7.70 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 0.00 157 K 8.46 3.94 0.00 1.92 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.69 7.81 158 L 7.51 3.77 0.00 1.14 1.46 0.69 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.83 4.04 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 0.00 160 K 8.22 4.01 0.00 1.79 1.83 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.43 7.81 161 S 7.56 4.33 0.00 4.07 4.05 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 0.00 162 L 7.59 4.06 0.00 1.65 1.63 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.