NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 R 4.3151 8.2393 119.7055 55.0861 31.7451 175.1232 23 P 4.2735 0.0000 0.0000 61.6718 32.1029 175.7353 24 I 3.7122 9.0586 120.1764 64.1936 38.6645 179.2497 25 E 3.9614 8.1126 119.2654 59.2893 29.2538 178.9641 26 Q 4.0876 8.1027 118.1984 58.6694 28.8040 178.4432 27 Q 3.9656 7.9892 118.8128 58.8201 28.7706 178.5180 28 L 3.8639 7.8539 119.7827 57.7337 41.4972 179.5452 29 A 4.1792 7.6358 120.2605 55.2295 18.2846 179.6793 30 L 4.0421 8.2881 117.8978 57.7676 41.6235 179.9982 31 G 3.6659 8.2935 105.8279 47.8883 0.0000 175.1297 32 Y 3.2993 7.7345 122.0452 60.3569 38.7552 178.2727 33 I 3.7596 8.1981 120.9928 63.9651 37.1532 178.3813 34 K 3.8268 8.3931 120.7438 59.4226 31.9923 178.6401 35 A 3.9430 7.8548 120.9843 55.0554 18.4143 179.3850 36 L 3.9412 7.8179 119.0332 58.5507 42.0601 179.1080 37 T 4.0877 7.9016 107.6088 63.5457 69.0116 175.4735 38 E 4.2560 7.9688 119.8364 55.4800 29.9793 175.3894 39 H 3.7163 7.5512 114.8642 56.7145 27.0894 175.8202 40 D 4.3925 7.7952 120.1197 53.4856 40.6691 174.6838 41 Y 4.6266 7.6462 124.2219 59.6988 38.1017 177.5250 42 Q 4.0087 8.1070 118.4892 59.3781 29.1946 178.1070 43 T 4.0316 8.1931 116.7043 66.5808 68.4143 176.5806 44 L 4.0869 8.2109 122.5659 58.1456 42.1259 179.1497 45 S 4.3116 8.3042 114.2191 61.3332 62.6218 176.5231 46 K 4.0404 7.7467 121.0193 58.7935 32.0092 177.2603 47 Y 4.4897 8.2351 116.2921 58.6529 38.5762 174.7183 48 Y 5.3636 7.5980 117.6514 56.2931 40.3247 174.3411 49 N 5.3086 8.7243 119.4159 50.7771 40.3008 175.1300 50 R 4.1046 8.6637 113.2879 58.4675 29.5396 176.7169 51 D 4.8375 8.6286 117.2415 53.8060 42.0088 176.5334 52 S 4.5193 8.1121 116.7482 59.0525 64.2296 173.1794 53 V 4.7399 8.6452 123.9034 61.0486 33.9900 173.8982 54 F 5.1889 9.5713 131.0079 56.8321 41.5053 173.4228 55 Y 5.3593 9.3999 128.8813 56.0718 41.6539 173.9787 56 D 5.0526 9.0981 128.3779 52.7433 41.4060 176.8458 57 K 3.2451 8.4100 129.1500 58.9965 32.6918 178.4733 58 T 3.9723 8.0086 108.6996 64.2682 68.7804 175.4293 59 A 4.2159 8.7739 123.1424 51.5416 19.6801 176.0256 60 D 4.5184 7.5477 114.7671 55.8259 40.3104 173.0133 61 T 4.6620 7.4570 107.7257 59.8239 72.6034 174.0725 62 K 5.0206 7.9229 123.5861 55.1577 35.4553 174.5879 63 Y 4.5877 9.0531 124.9802 56.1332 41.1038 174.8170 64 I 4.8913 8.5171 123.2856 61.4920 40.3638 176.2261 65 G 4.2595 9.6272 113.7111 45.3979 0.0000 173.7576 66 T 3.9785 8.7440 116.7467 67.1328 68.4383 176.9599 67 R 3.9781 7.9368 118.8189 59.4655 30.2409 179.2924 68 S 4.2064 7.9844 114.5156 61.3909 62.8151 176.7356 69 I 3.7020 7.8044 122.5416 64.4674 36.8665 178.4522 70 I 3.5364 7.8567 120.3866 64.2571 36.9112 178.3312 71 A 3.8265 7.9093 121.5422 55.0396 18.1988 179.3339 72 F 3.8357 7.9987 119.0432 61.4652 39.2476 177.3997 73 L 3.4320 7.8308 118.6621 57.4779 41.1509 179.5404 74 Q 3.8439 7.7728 118.1699 58.9370 28.4194 179.0764 75 R 3.7427 7.3898 117.6582 59.3323 30.1647 179.1009 76 S 3.9183 7.2433 113.6232 61.1407 62.9871 175.5562 77 H 4.7613 7.7374 116.6274 54.1660 28.6696 174.3289 78 E 4.0483 7.0285 123.0178 57.5533 29.6594 177.3900 79 G 3.9304 8.9042 113.6798 45.3890 0.0000 173.6580 80 V 3.7315 7.4779 119.9757 63.1310 32.1309 175.4521 81 L 4.5230 8.9597 127.1883 56.4279 42.8656 177.1061 82 E 4.8782 8.0103 116.7532 54.6137 34.0107 174.9200 83 F 5.6250 8.7578 125.6183 57.5423 42.2219 172.9194 84 D 4.5739 9.3140 125.2567 52.6401 45.8677 174.4396 85 F 4.8045 8.4182 123.8385 56.6154 40.8150 175.1433 86 N 4.4658 9.0923 126.4144 52.4288 39.0892 174.5870 87 I 3.9911 7.6388 125.5745 60.1100 37.2679 176.0260 88 E 4.1153 9.1157 128.2929 59.4629 30.5444 176.0756 89 H 4.8283 7.6474 115.6681 55.0800 33.5331 171.6192 *91 F 4.8477 8.4736 114.0019 56.9790 39.4148 173.3038 92 N 5.4767 8.7071 114.6594 51.8410 40.5399 174.0552 93 T 4.5429 8.7101 117.4749 62.5990 71.4327 174.1260 94 G 3.8319 8.6738 117.9652 46.3222 0.0000 172.1181 95 P 4.4880 0.0000 0.0000 63.3434 31.8314 175.2016 96 L 4.7636 8.0023 123.6146 54.3597 43.2665 175.2081 97 V 4.7442 8.9018 127.0281 61.1342 34.2538 174.6826 98 V 4.5405 8.2303 127.1586 60.8122 34.7334 174.3163 *100 I 4.0995 8.0774 121.4454 60.7417 38.2832 175.4145 101 G 4.2582 8.2439 115.4469 45.8277 0.0000 171.3926 102 N 5.6340 8.4249 119.3246 51.6589 41.4942 173.4880 103 Y 5.1734 9.3638 119.0772 56.9887 40.2423 174.0274 104 H 5.4992 9.1979 124.4288 54.4598 32.7641 173.0249 105 L 5.3839 8.4488 126.2600 53.4069 45.7592 174.6782 106 R 4.9923 8.9398 126.7108 54.5309 33.1899 174.7952 107 G 4.2293 8.3496 112.2856 45.4200 0.0000 170.4501 108 P 4.8376 0.0000 0.0000 63.0178 31.7872 177.1507 109 G 4.3328 8.7882 107.7442 44.4318 0.0000 175.6592 110 E 3.9644 8.1420 121.4001 59.8579 29.4117 179.1226 111 Q 3.9487 8.1009 115.5688 58.0727 28.6551 177.9752 112 F 4.7506 7.8689 116.4926 56.6688 39.4830 175.9305 113 G 3.9492 8.1805 105.9555 46.1366 0.0000 175.1658 114 K 4.6516 8.3062 118.2819 53.3294 32.2546 174.0021 115 P 4.5070 0.0000 0.0000 63.9800 32.1812 178.1061 116 G 3.9725 9.3013 109.3057 45.3536 0.0000 173.1639 117 K 4.7385 7.5725 118.1984 54.4720 36.0974 174.8880 118 I 4.7150 8.2843 123.4196 60.3012 38.2986 175.5366 119 I 4.5968 8.8608 121.1815 59.6577 40.5806 174.4192 120 D 5.1793 8.8061 122.8303 53.0590 43.9096 174.3631 121 I 4.9367 8.6938 118.4806 59.3166 41.7995 174.4237 122 A 4.9215 9.6008 124.9784 50.7327 21.3494 175.6645 123 I 4.3853 8.8637 123.9972 59.6288 39.0745 174.1927 124 P 4.8789 0.0000 0.0000 63.1845 32.0181 176.1317 125 G 4.3412 9.2541 108.9358 45.3366 0.0000 171.8852 126 V 4.9403 8.8524 121.4055 61.1116 34.3043 174.3694 127 T 5.2276 8.8375 124.1980 61.9619 71.1184 173.3811 128 T 4.8605 8.8409 116.7870 59.9779 71.9138 173.4520 129 L 4.7884 8.7456 123.1413 52.7604 45.6898 175.1542 130 K 4.8695 8.5125 125.2353 54.6389 34.4006 174.7919 131 F 5.1906 8.4987 125.8223 55.6024 41.6741 175.2232 132 D 4.5937 9.2658 122.5386 53.0433 41.3360 175.6576 133 P 4.3061 0.0000 0.0000 65.7390 31.6858 177.2798 134 N 4.4619 8.5749 117.4394 55.8393 38.9134 175.4730 135 T 4.3483 8.0906 105.4397 60.7807 70.0451 174.3023 136 Q 3.5722 8.0841 119.7929 56.8785 27.2418 173.6290 137 R 4.9217 7.7196 115.4380 54.3543 32.1944 175.4974 138 L 4.3254 9.0539 122.9305 55.3565 42.8765 176.8353 139 T 4.2483 8.8347 123.7888 65.9646 69.6677 174.4390 140 E 5.1436 7.7010 120.9215 54.7795 33.5067 172.8277 141 Q 4.7804 9.1536 128.3605 54.3188 31.4065 174.0322 142 V 4.8885 8.5146 126.1439 61.2338 34.3218 173.6879 143 D 5.4118 9.2698 127.7970 52.5814 43.5428 175.3624 144 L 5.0175 8.7973 122.0341 51.9501 45.6694 175.3234 *146 D 4.5443 8.4140 119.5629 54.4869 41.1455 174.6502 147 Y 4.3897 7.8266 120.1637 60.3233 38.9060 177.5406 148 Q 4.1780 8.4001 120.8946 59.5881 29.4873 179.1922 149 T 4.1419 7.9622 111.6177 64.2400 68.2374 175.9806 *151 S 4.4409 8.2090 118.2515 58.5531 64.1257 175.4973 152 D 4.4175 8.4169 119.1926 57.5572 40.7424 178.5328 153 Q 4.1567 8.2146 118.4883 59.0145 28.6905 178.8369 154 L 4.0250 7.9228 119.3811 57.3421 41.4658 179.0048 155 Q 4.0243 7.7406 117.7111 59.1839 28.8124 178.8998 156 S 4.2357 7.5662 112.1051 60.5700 63.4378 174.1839 157 Q 4.1923 7.9421 124.4253 55.9281 28.5476 175.2383 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 22 R 8.24 4.32 0.00 1.81 1.93 0.00 3.16 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 23 P 0.00 4.27 0.00 2.48 2.19 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 2.13 2.03 0.00 24 I 9.06 3.71 1.86 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 1.61 1.15 0.89 0.00 0.00 25 E 8.11 3.96 0.00 2.11 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 2.48 2.47 0.00 26 Q 8.10 4.09 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 27 Q 7.99 3.97 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 28 L 7.85 3.86 0.00 1.50 0.73 0.54 0.82 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 29 A 7.64 4.18 1.46 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 0.00 0.00 0.00 30 L 8.29 4.04 0.00 1.82 1.72 0.89 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 31 G 8.29 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 32 Y 7.73 3.30 0.00 2.39 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.20 3.76 1.95 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.94 1.03 0.00 0.00 34 K 8.39 3.83 0.00 1.88 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.50 7.81 35 A 7.85 3.94 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 36 L 7.82 3.94 0.00 1.49 1.79 1.30 0.90 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 37 T 7.90 4.09 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 0.93 0.00 0.00 38 E 7.97 4.26 0.00 2.00 1.96 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 2.26 2.40 0.00 39 H 7.55 3.72 0.00 3.17 3.08 0.00 5.66 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 7.80 4.39 0.00 2.59 2.62 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 41 Y 7.65 4.63 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.11 4.01 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 43 T 8.19 4.03 4.33 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 1.32 0.00 0.00 44 L 8.21 4.09 0.00 1.99 1.83 0.28 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.30 4.31 0.00 4.26 4.39 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 46 K 7.75 4.04 0.00 1.46 1.72 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.53 7.81 47 Y 8.24 4.49 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.60 5.36 0.00 3.13 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 49 N 8.72 5.31 0.00 2.97 3.02 0.00 0.00 6.92 7.28 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 50 R 8.66 4.10 0.00 1.96 2.14 0.00 3.01 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 51 D 8.63 4.84 0.00 2.74 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 52 S 8.11 4.52 0.00 3.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.65 4.74 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 0.91 0.00 0.00 0.91 0.00 0.00 54 F 9.57 5.19 0.00 3.09 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 55 Y 9.40 5.36 0.00 2.97 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 56 D 9.10 5.05 0.00 2.90 2.62 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 57 K 8.41 3.25 0.00 1.09 1.56 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.22 7.81 58 T 8.01 3.97 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 59 A 8.77 4.22 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 60 D 7.55 4.52 0.00 2.82 2.68 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 0.00 0.00 0.00 0.00 61 T 7.46 4.66 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 1.17 0.00 0.00 62 K 7.92 5.02 0.00 1.62 1.44 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.16 1.38 7.81 63 Y 9.05 4.59 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.52 4.89 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 0.94 0.00 0.00 65 G 9.63 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 0.00 0.00 0.00 0.00 66 T 8.74 3.98 4.34 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 1.43 0.00 0.00 67 R 7.94 3.98 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 68 S 7.98 4.21 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.80 3.70 1.52 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 1.01 0.00 0.00 70 I 7.86 3.54 1.93 0.00 0.00 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 1.87 1.06 0.69 0.00 0.00 71 A 7.91 3.83 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 72 F 8.00 3.84 0.00 2.27 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.83 3.43 0.00 1.53 1.69 1.27 1.33 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 74 Q 7.77 3.84 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 75 R 7.39 3.74 0.00 1.70 1.83 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 76 S 7.24 3.92 0.00 3.00 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 77 H 7.74 4.76 0.00 3.24 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.03 4.05 0.00 2.14 1.81 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 2.29 2.28 0.00 79 G 8.90 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 80 V 7.48 3.73 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 0.96 0.00 0.00 0.96 0.00 0.00 81 L 8.96 4.52 0.00 1.67 1.73 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.01 4.88 0.00 1.99 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 2.34 2.34 0.00 83 F 8.76 5.63 0.00 2.87 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 84 D 9.31 4.57 0.00 2.58 2.40 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 85 F 8.42 4.80 0.00 2.15 2.60 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 0.00 0.00 0.00 0.00 86 N 9.09 4.47 0.00 2.76 2.68 0.00 0.00 6.63 7.00 0.00 0.00 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 I 7.64 3.99 1.54 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.36 0.64 0.00 0.00 88 E 9.12 4.12 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.20 0.00 89 H 7.65 4.83 0.00 3.08 3.25 0.00 5.95 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 F 8.47 4.85 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 92 N 8.71 5.48 0.00 3.00 2.79 0.00 0.00 5.81 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 93 T 8.71 4.54 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 1.25 0.00 0.00 94 G 8.67 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 95 P 0.00 4.49 0.00 2.50 2.39 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 96 L 8.00 4.76 0.00 1.82 1.77 0.88 0.86 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 97 V 8.90 4.74 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 0.99 0.00 0.00 1.06 0.00 0.00 98 V 8.23 4.54 0.67 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 0.56 0.00 0.00 0.64 0.00 0.00 *100 I 8.08 4.10 1.95 0.00 0.00 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 1.37 0.61 0.98 0.00 0.00 101 G 8.24 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 0.00 0.00 0.00 0.00 102 N 8.42 5.63 0.00 2.86 2.94 0.00 0.00 7.31 7.19 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 0.00 103 Y 9.36 5.17 0.00 3.00 3.08 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 0.00 0.00 0.00 0.00 104 H 9.20 5.50 0.00 3.27 3.20 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.45 5.38 0.00 1.91 1.38 0.90 0.55 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 0.00 106 R 8.94 4.99 0.00 2.04 1.78 0.00 3.41 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 107 G 8.35 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 0.00 0.00 0.00 0.00 108 P 0.00 4.84 0.00 2.39 2.09 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 109 G 8.79 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.14 3.96 0.00 2.07 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 2.40 2.48 0.00 111 Q 8.10 3.95 0.00 1.60 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.25 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 112 F 7.87 4.75 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.18 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 0.00 114 K 8.31 4.65 0.00 1.86 1.74 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 115 P 0.00 4.51 0.00 2.18 2.06 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 116 G 9.30 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 0.00 117 K 7.57 4.74 0.00 1.66 1.68 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.38 7.81 118 I 8.28 4.71 1.87 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 1.41 0.80 0.91 0.00 0.00 119 I 8.86 4.60 1.69 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.83 0.88 0.00 0.00 120 D 8.81 5.18 0.00 2.67 2.54 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 0.00 121 I 8.69 4.94 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 0.78 0.00 0.00 122 A 9.60 4.92 1.27 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 0.00 0.00 0.00 123 I 8.86 4.39 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.86 0.86 0.00 0.00 124 P 0.00 4.88 0.00 1.96 2.03 0.00 3.74 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 2.19 2.14 0.00 125 G 9.25 4.34 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 0.00 126 V 8.85 4.94 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 0.98 0.00 0.00 1.00 0.00 0.00 127 T 8.84 5.23 4.34 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 1.27 0.00 0.00 128 T 8.84 4.86 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 1.16 0.00 0.00 129 L 8.75 4.79 0.00 1.39 0.79 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.51 4.87 0.00 1.71 1.50 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 131 F 8.50 5.19 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 D 9.27 4.59 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.31 0.00 2.24 2.21 0.00 3.87 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 2.02 1.99 0.00 134 N 8.57 4.46 0.00 2.72 3.01 0.00 0.00 7.12 7.09 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 0.00 135 T 8.09 4.35 4.29 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 1.28 0.00 0.00 136 Q 8.08 3.57 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 137 R 7.72 4.92 0.00 2.01 2.10 0.00 3.21 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 138 L 9.05 4.33 0.00 1.44 1.78 -0.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.83 4.25 4.31 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 1.19 0.00 0.00 140 E 7.70 5.14 0.00 1.96 1.66 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 2.29 2.34 0.00 141 Q 9.15 4.78 0.00 1.69 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 1.86 2.16 0.00 142 V 8.51 4.89 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 0.88 0.00 0.00 1.05 0.00 0.00 143 D 9.27 5.41 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.80 5.02 0.00 1.60 1.50 0.92 0.80 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 *146 D 8.41 4.54 0.00 2.62 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 0.00 147 Y 7.83 4.39 0.00 3.09 2.99 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 0.00 148 Q 8.40 4.18 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.18 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 149 T 7.96 4.14 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 1.24 0.00 0.00 *151 S 8.21 4.44 0.00 3.94 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 8.42 4.42 0.00 2.88 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 0.00 153 Q 8.21 4.16 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 154 L 7.92 4.02 0.00 1.86 1.74 1.08 0.99 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 0.00 155 Q 7.74 4.02 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.67 0.00 156 S 7.57 4.24 0.00 4.12 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 Q 7.94 4.19 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.