NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 D 4.6422 8.3229 119.5566 52.7325 42.0402 177.0067 46 K 3.9881 8.5552 125.5360 59.7321 31.6883 178.9059 47 T 4.1384 8.7032 115.5776 65.2432 67.8694 175.9379 48 T 3.9913 7.8992 117.3171 66.0401 68.4699 176.6520 49 F 4.2376 8.1543 124.6626 62.1000 39.6844 177.8745 50 R 3.7484 8.1420 122.5917 62.2155 28.8842 181.2370 51 L 4.2280 7.5873 122.5181 59.3661 41.1019 181.5794 52 L 4.3286 7.7105 119.5387 57.0208 41.7087 179.5042 53 R 3.8775 7.9500 119.1220 59.2284 30.0041 178.6784 54 G 3.5995 7.6971 105.1680 47.8824 0.0000 175.1752 55 E 4.0508 8.0021 121.8184 59.1219 29.7760 178.9139 56 S 4.3439 8.1118 113.0545 61.4542 62.4710 175.9058 57 N 4.5786 8.6190 119.5556 56.0103 38.2507 177.1532 58 L 3.8881 8.0807 121.9419 58.2368 42.1612 179.0561 59 F 4.0205 8.1323 117.2341 60.0507 38.6116 177.1951 60 Y 3.7834 7.5707 118.5736 60.7402 38.5242 177.7371 61 T 3.8487 7.6193 115.9568 66.4252 68.6599 176.3274 62 L 4.0039 7.3946 118.4263 55.4526 42.0940 177.0818 63 A 4.1543 7.0567 123.6200 51.9699 19.2721 177.8467 64 K 4.4966 8.4297 125.1544 53.0435 35.9422 172.8152 65 W 4.8399 8.9323 135.0000 55.2694 30.6523 175.3911 66 E 4.4072 8.1121 129.3524 56.4935 33.0125 176.1540 67 N 4.1092 9.2257 121.7745 54.2182 35.4202 171.9919 68 N 3.5730 7.6904 113.1037 53.1458 34.9122 177.7151 69 K 3.7599 5.6600 117.3465 53.4703 36.7460 176.7070 70 I 4.1293 8.2962 124.0401 60.8270 39.1963 176.0929 71 S 4.3790 8.6399 124.6266 58.3074 64.1916 173.6034 72 V 4.2624 7.7104 127.5347 60.5588 33.0443 174.1700 73 E 4.8582 8.3555 120.0828 55.2771 34.5118 174.9708 74 L 4.0848 7.8466 125.5799 52.7700 46.4238 174.8066 *83 P 4.5869 0.0000 0.0000 64.3924 31.0191 174.7438 84 T 5.2231 7.6351 109.3949 60.9960 73.1520 174.4655 85 M 4.7983 8.8217 121.2693 54.0840 35.7447 173.9260 86 T 5.0534 8.3864 121.6578 61.7491 71.7021 173.0128 87 L 5.1347 9.2103 125.6996 52.9386 45.5422 175.4131 88 I 5.1709 8.8057 122.4683 59.9216 40.7679 174.3831 89 Y 5.2463 9.4427 123.5848 56.4232 42.5794 173.9170 90 D 5.4120 8.7000 122.6730 52.3989 42.2034 177.6399 91 E 4.1594 8.8628 113.5311 58.8121 29.8910 174.1572 92 T 4.0731 7.9878 106.2272 63.3820 69.2614 175.5747 93 G 3.9984 8.2150 112.0458 45.5317 0.0000 174.5745 94 K 4.2676 8.2571 121.0814 54.1160 32.4039 180.7537 95 L 4.3707 8.2780 121.1085 54.2282 42.5355 176.0287 96 L 4.4864 8.2785 126.8444 56.4654 42.9945 177.3263 97 W 4.6143 7.4903 125.6615 56.5757 33.9699 173.1095 98 T 4.3222 7.2506 120.7208 59.8874 69.2473 173.5461 99 Q 3.4252 8.0341 131.2381 59.1348 29.7179 177.1437 100 R 4.3463 7.2028 117.0780 55.6470 33.0891 180.1750 101 N 4.4726 8.4028 120.2295 50.5391 36.2926 172.1039 102 I 4.3163 7.4132 124.4607 57.8497 38.9732 173.7340 103 P 4.2666 0.0000 0.0000 65.2836 31.2225 178.3897 104 W 4.2470 8.0407 116.3735 59.1043 28.0052 178.1031 105 L 3.2282 6.5002 119.7759 57.6877 41.3188 178.1489 106 I 3.8769 7.2793 121.8235 65.3385 36.8833 179.1296 107 K 4.0560 7.5188 122.6089 59.7074 31.6408 180.9297 108 S 4.6697 7.7957 113.8138 60.0720 63.2244 174.6458 109 I 3.6416 7.0112 121.8187 60.5466 35.7724 175.2966 110 Q 3.5997 5.9196 125.2196 54.6245 29.0014 176.4648 111 P 4.1296 0.0000 0.0000 65.9287 31.8103 179.0485 112 E 3.9963 8.0239 118.6746 60.8223 29.7428 183.5998 113 W 4.6500 8.0667 119.2602 59.8276 28.7744 178.3953 114 L 4.2443 7.6800 120.6902 57.6805 41.1880 179.1641 115 K 4.1764 7.8052 119.3447 56.7570 31.8841 180.8407 116 T 4.8170 7.2032 110.8567 61.8356 72.2721 173.2702 117 N 4.6393 8.7812 121.3752 53.6214 39.1081 174.7682 118 G 3.9835 8.4239 111.1103 46.5434 0.0000 172.4549 *119 F 5.2613 8.5000 120.5458 55.7354 40.7210 175.1207 120 H 4.6806 9.0810 120.1844 53.0159 33.2629 171.8650 121 E 5.2500 8.5341 119.4118 55.5332 33.3404 176.5187 122 I 4.8303 9.0393 122.5340 58.9507 39.2020 173.7659 123 E 4.9022 9.0494 127.5400 55.1164 30.8440 175.7941 124 T 4.5695 8.9859 118.2682 61.0462 71.7066 172.0077 125 N 5.5577 8.4395 118.6090 50.7907 39.6425 176.6825 126 V 3.7143 8.4352 121.6909 65.6825 30.8606 178.7610 127 D 4.3834 8.0148 120.9586 57.6751 39.4624 181.3685 128 A 4.2083 7.5642 119.2158 55.2974 18.8765 179.2156 129 T 4.0957 7.6478 113.7661 66.9805 68.2749 177.0265 130 S 4.1633 7.9261 115.9498 61.1686 63.0429 174.8861 131 T 4.3423 7.3800 111.8568 62.0273 67.4049 175.0550 132 L 4.1980 7.6591 122.5819 58.1072 42.3376 176.9441 133 L 4.5196 7.5240 116.5373 52.7466 43.3468 175.9142 134 S 4.2544 8.6093 116.5841 59.2666 62.6636 175.7511 135 E 4.0793 8.9070 122.9027 58.8550 29.9148 178.4852 136 D 5.0959 7.6559 115.5760 53.0851 41.1280 179.6348 137 H 4.4585 7.9838 120.8848 56.0871 30.8334 175.6808 138 S 4.0062 8.5885 118.1378 60.9631 62.3676 174.8553 139 A 4.6200 8.0103 120.5498 52.1240 19.5409 178.4287 140 Q 4.1070 8.1154 120.3112 59.8120 28.1591 179.2271 141 E 4.1211 8.2949 121.4013 61.5493 29.7149 181.9247 142 K 4.3002 7.9763 123.7612 59.6890 31.6362 181.4573 143 L 4.5333 8.1643 121.7666 57.2096 41.6429 180.1699 144 K 4.1345 8.0967 127.0080 60.1812 31.6834 185.0000 145 E 4.2916 8.0548 120.6995 61.7839 29.5951 182.6224 146 V 4.0150 7.5347 118.5537 64.8379 31.4376 180.2466 147 R 4.3250 7.3145 115.9694 59.8492 30.2854 177.9579 148 E 4.1180 8.0705 116.3822 58.4002 29.4613 178.3015 149 D 4.7629 7.7170 117.6178 55.7513 41.9590 175.7910 150 D 4.3850 7.8402 121.4739 53.1336 42.3838 174.8649 151 D 4.4111 8.7360 127.6223 56.1510 39.4236 176.9481 152 D 4.5941 7.8196 116.9663 53.7012 41.3015 175.6591 153 A 4.0973 7.5795 120.2207 52.5039 19.8047 176.9657 154 E 4.7866 8.6239 120.2779 54.8902 31.0952 175.1533 155 M 4.7418 9.0387 128.0868 54.7266 34.1027 175.4886 156 T 5.2615 9.2081 116.6973 60.7078 71.3160 172.2258 157 H 5.2835 9.2272 123.5553 54.1384 32.9039 173.1537 158 S 4.9231 8.7077 118.3800 58.3440 64.7641 173.3172 159 V 4.9094 8.7354 121.9820 61.2901 34.8224 173.7008 160 A 5.1990 9.0946 129.7578 50.1612 21.8482 175.1110 161 V 4.8644 8.7565 122.3404 61.2387 34.5729 174.0628 162 N 5.3279 8.9628 124.5188 52.3237 42.7911 172.7155 163 I 4.8584 8.4943 126.6495 59.8092 39.6179 174.6619 164 Y 4.3004 9.2693 125.1475 55.3718 39.5059 173.6048 165 P 4.5719 0.0000 0.0000 62.7499 32.1636 176.3069 166 A 4.3624 8.4622 123.9561 52.9157 19.3586 176.4942 167 T 4.5077 9.1986 114.3604 62.1830 73.0783 175.1854 168 A 4.0031 9.0307 128.9432 56.4481 18.4135 180.3637 169 R 4.2167 8.0875 112.3176 58.9079 29.9894 178.5170 170 M 4.4928 7.6935 115.3461 52.3068 34.1948 172.8875 171 P 4.5717 0.0000 0.0000 61.7998 33.1759 175.1994 172 Q 4.7223 8.4049 120.7031 56.3366 29.3338 175.4439 173 L 5.0594 8.8175 125.8148 53.3164 45.0057 175.2442 174 T 5.1404 8.7827 119.8100 61.9431 71.4742 173.1198 175 I 5.1076 9.2459 127.9125 59.5180 40.3534 174.6567 176 V 5.0014 9.2419 127.6321 61.0869 34.1514 174.2775 177 V 4.8747 8.9175 127.6937 61.1453 34.5271 173.9843 178 V 4.7628 8.6275 128.2710 61.0793 33.6366 174.0702 179 D 4.8692 8.9264 129.0183 54.5801 41.1612 175.9378 180 T 4.6063 8.7877 116.4451 62.0432 69.8332 174.5762 181 I 4.3529 7.3343 116.0801 58.2400 38.7719 173.9822 182 P 4.3554 0.0000 0.0000 61.9454 31.7671 177.1115 183 I 3.8893 8.2391 111.9361 63.0607 37.6877 178.1972 184 E 3.9827 8.1436 120.2217 58.8654 29.4487 177.3495 185 L 4.4727 7.6425 118.8254 54.9580 41.8711 177.3760 186 K 4.2249 7.6015 126.2755 54.6519 31.8257 180.3121 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 45 D 8.32 4.64 0.00 2.62 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 46 K 8.56 3.99 0.00 1.84 1.84 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.12 7.81 47 T 8.70 4.14 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 1.24 0.00 0.00 48 T 7.90 3.99 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 49 F 8.15 4.24 0.00 3.14 3.25 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 50 R 8.14 3.75 0.00 1.89 1.95 0.00 3.32 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 51 L 7.59 4.23 0.00 1.60 1.70 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.71 4.33 0.00 1.70 1.75 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.95 3.88 0.00 1.21 1.26 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.49 0.00 54 G 7.70 3.60 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 0.00 0.00 0.00 55 E 8.00 4.05 0.00 2.26 2.22 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 2.46 2.66 0.00 56 S 8.11 4.34 0.00 4.17 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 57 N 8.62 4.58 0.00 3.00 2.94 0.00 0.00 6.60 6.32 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 58 L 8.08 3.89 0.00 1.96 1.67 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.13 4.02 0.00 3.18 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 60 Y 7.57 3.78 0.00 2.07 2.91 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 61 T 7.62 3.85 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 1.13 0.00 0.00 62 L 7.39 4.00 0.00 1.35 1.50 0.45 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.06 4.15 1.09 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 0.00 0.00 64 K 8.43 4.50 0.00 1.35 1.63 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.22 7.81 65 W 8.93 4.84 0.00 3.32 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 66 E 8.11 4.41 0.00 1.80 1.64 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 2.19 2.34 0.00 67 N 9.23 4.11 0.00 2.90 2.76 0.00 0.00 6.75 7.99 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 68 N 7.69 3.57 0.00 2.87 2.74 0.00 0.00 6.64 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 69 K 5.66 3.76 0.00 1.80 1.63 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.17 1.13 7.81 70 I 8.30 4.13 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 1.06 0.00 0.00 71 S 8.64 4.38 0.00 3.78 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 72 V 7.71 4.26 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 73 E 8.36 4.86 0.00 1.92 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 2.12 1.87 0.00 74 L 7.85 4.08 0.00 1.61 1.00 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *83 P 0.00 4.59 0.00 2.18 2.37 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 84 T 7.64 5.22 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 1.27 0.00 0.00 85 M 8.82 4.80 0.00 1.98 1.85 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 2.35 2.51 0.00 86 T 8.39 5.05 3.57 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 1.07 0.00 0.00 87 L 9.21 5.13 0.00 1.66 1.24 0.94 0.48 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 88 I 8.81 5.17 2.05 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 1.03 0.00 0.00 89 Y 9.44 5.25 0.00 2.93 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 90 D 8.70 5.41 0.00 2.76 2.91 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 91 E 8.86 4.16 0.00 2.01 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 2.23 1.86 0.00 92 T 7.99 4.07 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 1.24 0.00 0.00 93 G 8.22 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 0.00 0.00 0.00 94 K 8.26 4.27 0.00 1.72 1.70 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.25 7.81 95 L 8.28 4.37 0.00 1.44 1.51 -0.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.28 4.49 0.00 1.71 1.85 1.12 0.80 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 97 W 7.49 4.61 0.00 3.34 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 98 T 7.25 4.32 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 0.83 0.00 0.00 99 Q 8.03 3.43 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.29 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 100 R 7.20 4.35 0.00 1.83 1.62 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 101 N 8.40 4.47 0.00 2.74 2.68 0.00 0.00 6.58 7.72 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 0.00 102 I 7.41 4.32 1.44 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.05 0.26 0.00 0.00 103 P 0.00 4.27 0.00 2.29 2.30 0.00 3.70 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 2.15 2.04 0.00 104 W 8.04 4.25 0.00 3.58 3.35 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 0.00 105 L 6.50 3.23 0.00 0.61 1.25 0.59 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.28 3.88 1.95 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.90 0.00 0.00 107 K 7.52 4.06 0.00 1.85 1.73 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 108 S 7.80 4.67 0.00 4.15 4.38 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 0.00 109 I 7.01 3.64 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.91 0.85 0.00 0.00 110 Q 5.92 3.60 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 111 P 0.00 4.13 0.00 2.13 2.21 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 112 E 8.02 4.00 0.00 2.00 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 1.97 0.00 113 W 8.07 4.65 0.00 3.31 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 0.00 114 L 7.68 4.24 0.00 1.49 1.61 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.81 4.18 0.00 1.73 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.29 7.81 116 T 7.20 4.82 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 1.20 0.00 0.00 117 N 8.78 4.64 0.00 2.58 2.74 0.00 0.00 6.77 7.65 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 0.00 118 G 8.42 3.98 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 0.00 0.00 0.00 *119 F 8.50 5.26 0.00 2.04 2.05 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 0.00 120 H 9.08 4.68 0.00 2.01 1.77 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.53 5.25 0.00 1.79 1.85 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 2.23 2.28 0.00 122 I 9.04 4.83 1.87 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 1.23 0.87 0.91 0.00 0.00 123 E 9.05 4.90 0.00 1.92 2.05 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 2.33 2.37 0.00 124 T 8.99 4.57 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 1.01 0.00 0.00 125 N 8.44 5.56 0.00 2.74 2.82 0.00 0.00 6.49 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 0.00 126 V 8.44 3.71 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 0.78 0.00 0.00 0.93 0.00 0.00 127 D 8.01 4.38 0.00 2.71 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 0.00 128 A 7.56 4.21 0.53 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 0.00 0.00 129 T 7.65 4.10 4.28 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 1.34 0.00 0.00 130 S 7.93 4.16 0.00 3.95 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 0.00 131 T 7.38 4.34 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 1.37 0.00 0.00 132 L 7.66 4.20 0.00 2.07 1.91 0.94 1.05 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 0.00 133 L 7.52 4.52 0.00 1.83 1.51 0.81 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.61 4.25 0.00 3.91 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 0.00 135 E 8.91 4.08 0.00 2.03 1.86 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 2.23 1.87 0.00 136 D 7.66 5.10 0.00 2.63 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 0.00 137 H 7.98 4.46 0.00 3.34 3.21 0.00 5.77 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 0.00 138 S 8.59 4.01 0.00 3.86 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 0.00 139 A 8.01 4.62 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 0.00 140 Q 8.12 4.11 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 141 E 8.29 4.12 0.00 1.97 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 2.31 1.94 0.00 142 K 7.98 4.30 0.00 1.76 1.84 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.10 7.81 143 L 8.16 4.53 0.00 1.72 1.75 0.98 0.91 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 0.00 144 K 8.10 4.13 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 145 E 8.05 4.29 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 2.24 2.19 0.00 146 V 7.53 4.01 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 147 R 7.31 4.32 0.00 1.99 2.09 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 148 E 8.07 4.12 0.00 2.00 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 2.34 2.41 0.00 149 D 7.72 4.76 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 D 7.84 4.39 0.00 2.65 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 0.00 151 D 8.74 4.41 0.00 2.81 2.79 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 0.00 152 D 7.82 4.59 0.00 2.59 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 0.00 153 A 7.58 4.10 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 0.00 154 E 8.62 4.79 0.00 1.96 1.87 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 2.21 2.31 0.00 155 M 9.04 4.74 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 156 T 9.21 5.26 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 1.35 0.00 0.00 157 H 9.23 5.28 0.00 3.34 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.71 4.92 0.00 3.81 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 0.00 159 V 8.74 4.91 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 1.11 0.00 0.00 1.08 0.00 0.00 160 A 9.09 5.20 1.28 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 0.00 0.00 161 V 8.76 4.86 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 1.08 0.00 0.00 1.05 0.00 0.00 162 N 8.96 5.33 0.00 2.86 2.57 0.00 0.00 6.90 7.42 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 0.00 163 I 8.49 4.86 1.86 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 1.24 0.83 0.90 0.00 0.00 164 Y 9.27 4.30 0.00 2.80 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 0.00 165 P 0.00 4.57 0.00 1.93 1.99 0.00 3.59 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 1.99 2.07 0.00 166 A 8.46 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 9.20 4.51 4.28 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 1.24 0.00 0.00 168 A 9.03 4.00 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 0.00 169 R 8.09 4.22 0.00 1.84 1.86 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 170 M 7.69 4.49 0.00 2.11 2.00 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 2.48 2.46 0.00 171 P 0.00 4.57 0.00 1.77 1.71 0.00 2.62 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.44 0.00 172 Q 8.40 4.72 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 173 L 8.82 5.06 0.00 1.88 1.73 0.92 0.74 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 0.00 174 T 8.78 5.14 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 1.32 0.00 0.00 175 I 9.25 5.11 2.24 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 1.29 1.59 1.11 0.00 0.00 176 V 9.24 5.00 2.38 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 0.96 0.00 0.00 1.08 0.00 0.00 177 V 8.92 4.87 2.15 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 1.03 0.00 0.00 1.07 0.00 0.00 178 V 8.63 4.76 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 0.94 0.00 0.00 0.96 0.00 0.00 179 D 8.93 4.87 0.00 2.77 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 0.00 180 T 8.79 4.61 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 1.26 0.00 0.00 181 I 7.33 4.35 1.87 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 1.37 0.74 0.92 0.00 0.00 182 P 0.00 4.36 0.00 2.38 2.16 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 183 I 8.24 3.89 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 1.31 0.67 0.92 0.00 0.00 184 E 8.14 3.98 0.00 1.97 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 0.00 2.32 2.40 0.00 185 L 7.64 4.47 0.00 1.65 1.69 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 186 K 7.60 4.22 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.