NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 N 4.6650 8.4249 119.2004 53.8439 39.9489 176.6634 22 M 4.2411 6.1377 120.0605 56.3326 32.5265 175.4603 23 L 4.0838 7.6365 119.1369 57.1315 42.1704 178.9467 24 R 3.9927 7.8871 116.2087 59.1546 29.6110 178.4679 25 D 4.3433 7.8804 119.2379 57.0715 40.9771 178.2738 26 L 4.0701 7.9353 120.7980 58.1206 41.9801 179.1645 27 R 4.1988 8.3103 118.3521 58.8319 29.7178 178.7879 28 D 4.3679 8.0271 118.3151 57.1228 41.2121 178.1351 29 A 4.1166 8.0119 121.3081 55.1507 18.3244 179.3185 30 F 4.1259 8.3414 119.3960 61.5652 39.2700 177.3805 31 S 3.9275 7.7287 112.5170 61.3194 62.5976 176.2384 32 R 4.0250 7.6632 120.2042 57.6347 30.0627 177.2303 33 V 4.3447 7.6171 110.5844 60.4985 33.6950 177.1261 34 K 3.5641 7.6636 121.5773 59.8255 32.1239 178.0784 35 T 3.8586 8.0133 107.6721 64.8157 68.6935 174.8600 36 F 4.0200 8.3558 122.7137 60.6987 39.3555 175.9188 37 F 4.5867 7.8332 117.4628 59.1699 39.2705 176.3108 38 Q 4.1490 8.1736 121.6366 56.9479 29.1435 175.6730 39 M 4.9031 8.5431 123.2174 53.3714 35.8862 174.2156 40 K 4.5772 7.6533 118.3565 55.9709 35.9673 176.9305 41 D 4.4543 8.8150 115.0169 55.1708 40.9323 173.6937 42 Q 4.1610 7.9726 118.4723 55.8688 29.3354 177.6733 43 L 4.1424 8.7489 124.5753 58.4987 39.5895 178.8335 44 D 4.2758 7.0912 120.4918 56.0125 37.5104 176.7379 45 N 4.6929 7.5779 121.2373 50.7654 37.7335 174.4272 46 L 4.2104 7.9703 119.4684 55.3580 42.7200 177.3266 47 L 4.2041 9.2410 124.6862 57.0247 42.4788 176.9492 48 L 4.3668 8.4200 120.8288 53.4400 40.4691 176.1667 49 K 4.5267 7.9799 123.9812 54.3797 34.4517 176.9589 50 E 3.8276 8.5743 117.9503 60.4901 29.1366 179.6663 51 S 4.2222 8.1676 113.3722 61.7910 62.6975 176.5409 52 L 3.6829 7.8487 123.6054 57.7040 41.6389 178.3976 53 L 3.2795 7.0644 118.7202 58.2373 42.2216 178.4504 54 E 4.0372 7.9815 117.7031 59.5648 29.4663 178.8072 55 D 4.3682 8.0074 117.9939 57.2967 41.1673 178.2975 56 F 4.7113 8.0675 118.3661 60.2255 38.6632 177.1310 57 K 4.3940 7.8769 116.1179 56.9721 32.6489 177.0874 58 G 3.9452 7.7686 108.4867 44.9311 0.0000 173.4227 59 Y 4.0256 8.6860 119.4174 59.8078 38.9685 176.4148 60 L 4.9861 7.8910 119.7213 54.0313 42.9466 178.6944 61 G 4.4346 8.3022 109.6629 47.0367 0.0000 175.2002 62 C 4.3808 8.1817 121.8368 59.4135 44.9211 175.4124 63 Q 3.9274 8.1891 118.9225 58.7673 28.3312 178.4167 64 A 4.0834 7.9799 121.3062 55.3335 18.5323 179.4216 65 L 3.7552 7.9790 118.6598 58.2744 41.9841 179.0861 66 S 4.1139 8.2454 113.1795 61.3600 62.3750 176.0612 67 E 4.0109 8.4757 121.3760 59.7575 29.2523 179.1777 68 M 4.2442 8.3677 118.7108 58.5161 32.0697 178.9741 69 I 4.0148 8.0955 119.9610 64.4540 37.3439 178.1911 70 Q 4.0076 8.1812 120.4403 59.1156 28.8419 177.9281 71 F 4.1823 8.7554 121.9438 61.8247 39.3136 176.7723 72 Y 3.3304 8.0570 116.0590 60.6914 37.3864 178.6325 73 L 3.9723 7.8866 118.9298 57.8471 41.9026 178.8413 74 E 4.2555 8.4660 116.8821 57.7771 29.8548 177.6448 75 E 4.3786 7.8245 117.0450 57.5978 31.2034 178.2643 76 V 3.4635 6.5989 117.3967 66.0073 31.7977 177.8629 77 M 3.9783 8.0719 118.7064 57.9713 31.5624 177.1147 78 P 4.2844 0.0000 0.0000 65.5603 31.6729 178.3896 79 Q 4.1533 8.0315 116.4210 58.7517 28.8146 178.2357 80 A 4.0955 7.9508 121.9542 55.2108 18.1389 179.5084 81 E 3.9935 8.3447 117.0560 59.1168 29.2429 178.2417 82 N 4.8694 7.5988 114.1248 53.5414 38.8642 176.0823 83 Q 4.2947 7.9726 120.9967 58.5949 29.5703 176.1262 84 D 4.5613 7.5126 114.1761 51.3488 43.8423 174.1290 85 P 4.2294 0.0000 0.0000 65.9317 31.1389 178.7251 86 D 4.2965 8.6209 116.9863 56.5033 41.0056 177.6553 87 I 3.8360 7.1376 117.3268 61.0933 38.0391 177.0776 88 K 3.7424 7.3848 119.9968 60.0738 31.8897 178.1949 89 A 3.9229 7.7715 120.1151 55.6555 18.4124 179.2129 90 H 4.1869 7.9615 114.1763 58.8126 28.7831 178.2037 91 V 3.5505 7.8942 120.2494 66.0139 31.4626 177.6608 92 N 4.4643 8.3637 118.4174 55.9511 38.6809 176.7485 93 S 4.0115 8.2014 114.8926 61.2574 62.5756 175.5141 94 L 3.9593 7.9206 123.1347 58.2782 41.6000 179.0421 95 G 3.6737 8.0084 105.1814 48.1964 0.0000 175.2712 96 E 3.9966 8.2308 121.6491 59.0771 29.4705 179.4285 97 N 4.3385 8.3288 116.4443 56.0714 38.5825 177.2628 98 L 4.0011 8.0450 121.8457 58.0330 42.0175 179.0154 99 K 3.9524 8.1646 117.6669 59.8402 32.2441 179.0943 100 T 3.9712 8.1987 116.0524 66.7077 68.5549 176.1281 101 L 3.8901 8.4499 122.6669 58.4637 41.9019 179.0874 102 R 4.1634 8.1507 114.9182 58.3405 29.3400 178.7363 103 L 3.8528 8.1664 120.9981 57.7825 41.4517 179.1599 104 R 3.9980 7.9979 116.6171 58.7924 29.9649 178.3176 105 L 4.3477 7.0801 116.1118 56.2841 42.4938 177.8103 106 R 3.6712 8.9140 115.7022 60.0159 29.8260 178.0857 107 R 4.3848 5.8400 117.1054 54.7436 29.3769 174.6728 108 C 4.7654 7.2212 127.7676 59.4215 36.3150 173.1256 109 H 4.5518 9.0763 114.7124 55.8837 27.9081 174.8950 110 R 4.4140 8.5007 118.9505 57.4323 29.4683 177.1873 111 F 4.5123 8.4127 118.8772 59.5867 40.5715 176.3061 112 L 4.9001 7.5785 119.3933 53.1286 41.9822 174.9690 113 P 4.5467 0.0000 0.0000 63.0703 32.1287 175.6527 114 C 5.0966 7.4437 114.1147 53.8306 43.3981 171.5150 115 E 4.0863 8.0047 114.7296 58.0130 30.6430 175.4161 *117 K 4.6206 7.5111 117.6948 55.3152 33.8703 176.3988 118 S 4.4267 8.9155 118.4869 57.6571 64.5471 174.9412 119 K 3.9346 8.5249 128.3855 59.5225 32.0407 179.1528 120 A 3.9617 7.8774 120.6892 54.9924 18.2646 179.7050 121 V 3.4295 7.7573 116.8156 66.1735 31.6157 178.0439 122 E 3.8749 7.9986 118.1589 59.5453 29.3070 179.2518 123 Q 3.9030 7.9674 119.3774 58.9427 29.0016 178.4991 124 V 3.5174 7.3400 119.5277 65.8217 31.5935 178.1525 125 K 3.5222 7.9912 118.6197 59.5476 31.9483 179.1509 126 N 4.3988 8.3830 116.5027 55.9634 38.1677 177.4881 127 A 4.0149 7.6462 121.6799 54.9697 18.8542 179.1404 128 F 4.3067 8.6592 119.6277 61.4558 39.5065 176.9256 129 N 4.2041 8.4559 116.1690 56.4653 38.2168 177.3232 130 K 3.9525 7.7262 118.9329 59.3040 32.3973 178.2775 131 L 4.0452 7.8362 118.4534 54.6108 42.0533 177.9463 132 Q 3.0158 8.1640 120.1115 56.8086 29.6354 176.7318 133 E 4.0870 8.7046 113.2929 58.8866 29.0627 178.2001 134 K 4.1857 8.0018 120.2168 59.2449 32.1086 179.1165 135 G 3.5050 7.8501 106.2345 47.4974 0.0000 175.8830 136 I 3.9968 7.5357 121.8678 64.6525 37.0871 178.0991 137 Y 4.2049 8.3233 117.1180 60.9308 37.8306 178.3683 138 K 4.0679 8.6589 120.5831 59.6603 32.1878 178.8270 139 A 4.1879 8.3562 119.9738 55.2269 18.5088 179.3168 140 M 4.2525 8.0598 117.4515 58.4685 31.8004 178.9516 141 S 4.5707 8.3581 113.5868 61.6388 63.5273 175.6221 142 E 4.3843 8.4256 119.7677 56.4864 29.1128 178.2930 143 F 3.7473 8.2279 124.2888 61.0962 39.2423 176.8813 144 D 3.9759 6.9844 118.3890 56.1901 39.2781 178.5061 145 I 3.5564 7.4076 120.8433 63.8560 37.1207 178.0670 146 F 4.0008 7.5209 121.0589 61.1404 39.1722 176.9126 147 I 3.0872 6.9386 119.2504 64.3265 36.9053 177.8028 148 N 4.2709 7.8016 117.0886 56.9551 38.4375 176.9520 149 Y 4.5436 8.0177 117.5809 61.1956 37.9510 178.9570 150 I 3.4194 7.3830 120.3839 64.6368 37.1220 177.3152 151 E 3.7946 8.5238 119.7533 59.9205 29.0716 178.5436 152 A 4.0206 8.6772 121.7908 55.5725 18.4613 178.7543 153 Y 4.1593 8.0351 117.9375 61.1992 38.8922 178.1886 154 M 4.5412 8.4070 119.6966 58.6260 31.8272 178.7403 155 T 4.1748 7.9570 111.2427 64.5754 68.2958 174.4280 156 M 4.4669 7.5434 120.5488 55.0204 34.2789 175.7834 157 K 3.8540 8.0629 122.5183 56.4575 32.1846 176.0909 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 21 N 8.42 4.66 0.00 2.64 2.18 0.00 0.00 6.98 6.77 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 22 M 6.14 4.24 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.74 0.00 23 L 7.64 4.08 0.00 1.65 1.67 0.90 0.79 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 24 R 7.89 3.99 0.00 2.04 2.18 0.00 2.96 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.71 0.00 25 D 7.88 4.34 0.00 2.92 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.94 4.07 0.00 1.81 1.68 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.31 4.20 0.00 2.17 2.03 0.00 3.19 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 28 D 8.03 4.37 0.00 2.85 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 29 A 8.01 4.12 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 30 F 8.34 4.13 0.00 3.25 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 31 S 7.73 3.93 0.00 3.98 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 32 R 7.66 4.02 0.00 1.80 1.64 0.00 2.99 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 33 V 7.62 4.34 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 0.81 0.00 0.00 0.93 0.00 0.00 34 K 7.66 3.56 0.00 1.17 1.62 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.48 7.81 35 T 8.01 3.86 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 1.21 0.00 0.00 36 F 8.36 4.02 0.00 2.84 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 37 F 7.83 4.59 0.00 3.18 3.40 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 38 Q 8.17 4.15 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 39 M 8.54 4.90 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.41 0.00 40 K 7.65 4.58 0.00 1.87 1.90 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.38 7.81 41 D 8.81 4.45 0.00 2.82 2.82 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 42 Q 7.97 4.16 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.23 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 43 L 8.75 4.14 0.00 1.64 1.66 0.93 1.17 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 44 D 7.09 4.28 0.00 2.77 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 45 N 7.58 4.69 0.00 2.74 2.80 0.00 0.00 7.21 7.85 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 46 L 7.97 4.21 0.00 1.65 1.82 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.24 4.20 0.00 1.67 1.96 1.04 1.02 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 48 L 8.42 4.37 0.00 1.56 1.52 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.98 4.53 0.00 1.83 1.78 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.53 7.81 50 E 8.57 3.83 0.00 1.99 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 2.44 2.44 0.00 51 S 8.17 4.22 0.00 3.99 4.13 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 52 L 7.85 3.68 0.00 1.74 1.91 0.54 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.06 3.28 0.00 0.37 1.49 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.98 4.04 0.00 2.15 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 2.36 2.30 0.00 55 D 8.01 4.37 0.00 2.85 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 56 F 8.07 4.71 0.00 3.35 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 57 K 7.88 4.39 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.71 7.81 58 G 7.77 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 59 Y 8.69 4.03 0.00 2.97 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 60 L 7.89 4.99 0.00 1.80 1.69 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.30 4.43 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 0.00 62 C 8.18 4.38 0.00 3.14 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 63 Q 8.19 3.93 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 64 A 7.98 4.08 1.67 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 65 L 7.98 3.76 0.00 0.55 1.20 0.38 -0.18 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 66 S 8.25 4.11 0.00 3.92 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 67 E 8.48 4.01 0.00 2.30 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 2.36 2.64 0.00 68 M 8.37 4.24 0.00 2.35 2.67 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 3.04 3.10 0.00 69 I 8.10 4.01 2.11 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 1.58 1.26 1.01 0.00 0.00 70 Q 8.18 4.01 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 71 F 8.76 4.18 0.00 2.96 3.16 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 72 Y 8.06 3.33 0.00 3.07 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 73 L 7.89 3.97 0.00 1.86 1.75 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.47 4.26 0.00 1.94 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 2.31 2.50 0.00 75 E 7.82 4.38 0.00 1.49 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 2.59 0.00 76 V 6.60 3.46 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 0.85 0.00 0.00 -0.98 0.00 0.00 77 M 8.07 3.98 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.51 0.00 78 P 0.00 4.28 0.00 2.00 2.10 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 79 Q 8.03 4.15 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 80 A 7.95 4.10 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 81 E 8.34 3.99 0.00 2.19 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 2.30 2.58 0.00 82 N 7.60 4.87 0.00 2.80 2.87 0.00 0.00 7.05 8.01 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 83 Q 7.97 4.29 0.00 2.29 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 84 D 7.51 4.56 0.00 2.75 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 0.00 0.00 0.00 85 P 0.00 4.23 0.00 2.15 2.05 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 86 D 8.62 4.30 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.14 3.84 0.62 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 1.05 0.44 0.00 0.00 88 K 7.38 3.74 0.00 1.80 1.82 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 89 A 7.77 3.92 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 90 H 7.96 4.19 0.00 3.28 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.89 3.55 2.20 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 0.97 0.00 0.00 1.07 0.00 0.00 92 N 8.36 4.46 0.00 3.01 2.92 0.00 0.00 6.39 8.33 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 93 S 8.20 4.01 0.00 4.03 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 94 L 7.92 3.96 0.00 1.82 1.71 0.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.01 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 96 E 8.23 4.00 0.00 2.13 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 2.54 2.50 0.00 97 N 8.33 4.34 0.00 2.94 2.88 0.00 0.00 6.62 6.30 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 98 L 8.05 4.00 0.00 1.90 1.95 1.02 0.75 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 99 K 8.16 3.95 0.00 1.94 1.88 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.68 7.81 100 T 8.20 3.97 4.41 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 1.20 0.00 0.00 101 L 8.45 3.89 0.00 1.76 1.85 0.83 0.78 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 0.00 102 R 8.15 4.16 0.00 2.10 2.17 0.00 2.84 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 103 L 8.17 3.85 0.00 1.87 1.74 0.92 0.72 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 0.00 104 R 8.00 4.00 0.00 1.84 1.93 0.00 3.32 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 105 L 7.08 4.35 0.00 1.81 1.81 0.88 0.48 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 0.00 106 R 8.91 3.67 0.00 1.81 1.78 0.00 3.28 0.00 0.00 3.16 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 107 R 5.84 4.38 0.00 1.81 1.86 0.00 3.37 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 108 C 7.22 4.77 0.00 2.91 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 0.00 109 H 9.08 4.55 0.00 3.70 3.60 0.00 5.74 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 0.00 110 R 8.50 4.41 0.00 1.72 1.88 0.00 2.51 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.91 0.00 111 F 8.41 4.51 0.00 3.09 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 0.00 112 L 7.58 4.90 0.00 1.72 1.59 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.55 0.00 2.05 2.08 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 114 C 7.44 5.10 0.00 3.22 3.15 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 0.00 115 E 8.00 4.09 0.00 2.11 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 2.23 2.34 0.00 *117 K 7.51 4.62 0.00 1.79 1.84 0.00 1.79 0.00 0.00 2.28 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 118 S 8.92 4.43 0.00 3.94 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 0.00 119 K 8.52 3.93 0.00 1.85 1.77 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.48 7.81 120 A 7.88 3.96 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 0.00 121 V 7.76 3.43 2.14 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 0.95 0.00 0.00 0.99 0.00 0.00 122 E 8.00 3.87 0.00 2.16 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 2.63 2.44 0.00 123 Q 7.97 3.90 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 124 V 7.34 3.52 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 0.85 0.00 0.00 0.98 0.00 0.00 125 K 7.99 3.52 0.00 1.75 1.67 0.00 1.51 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.48 0.83 7.81 126 N 8.38 4.40 0.00 2.71 2.86 0.00 0.00 6.94 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 0.00 127 A 7.65 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 0.00 128 F 8.66 4.31 0.00 3.10 3.32 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 0.00 129 N 8.46 4.20 0.00 3.02 2.88 0.00 0.00 6.70 6.64 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 0.00 130 K 7.73 3.95 0.00 1.81 2.07 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 131 L 7.84 4.05 0.00 1.82 1.74 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.16 3.02 0.00 2.20 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 133 E 8.70 4.09 0.00 2.08 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 2.48 2.38 0.00 134 K 8.00 4.19 0.00 1.75 1.98 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 135 G 7.85 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 0.00 136 I 7.54 4.00 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.24 0.92 0.00 0.00 137 Y 8.32 4.20 0.00 3.27 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 0.00 138 K 8.66 4.07 0.00 2.00 1.94 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.56 7.81 139 A 8.36 4.19 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 0.00 140 M 8.06 4.25 0.00 1.08 1.53 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.41 0.00 141 S 8.36 4.57 0.00 4.23 4.37 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 0.00 142 E 8.43 4.38 0.00 2.15 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 2.40 2.57 0.00 143 F 8.23 3.75 0.00 3.09 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 0.00 0.00 0.00 144 D 6.98 3.98 0.00 2.84 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 0.00 145 I 7.41 3.56 1.82 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 1.36 0.87 0.49 0.00 0.00 146 F 7.52 4.00 0.00 2.59 2.35 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 0.00 147 I 6.94 3.09 1.82 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 1.19 -0.08 0.77 0.00 0.00 148 N 7.80 4.27 0.00 3.01 3.01 0.00 0.00 7.10 7.56 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 0.00 149 Y 8.02 4.54 0.00 3.43 3.66 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 0.00 150 I 7.38 3.42 1.76 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.16 0.75 0.00 0.00 151 E 8.52 3.79 0.00 2.05 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 2.33 2.35 0.00 152 A 8.68 4.02 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 0.00 153 Y 8.04 4.16 0.00 3.06 3.15 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 0.00 154 M 8.41 4.54 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.65 0.00 155 T 7.96 4.17 4.41 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 1.21 0.00 0.00 156 M 7.54 4.47 0.00 1.76 1.89 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 157 K 8.06 3.85 0.00 0.79 0.86 0.00 1.41 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.89 0.36 7.81 * Residues marked with a * may have inaccurate shift predictions.