NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 R 4.2241 8.2393 119.6913 55.4748 30.6335 173.2783 20 P 3.9274 0.0000 0.0000 61.3449 32.3993 171.5287 21 V 4.0638 8.5016 123.3843 61.8955 33.5728 175.2626 22 E 5.0862 8.7422 128.2125 54.3032 32.8702 175.0021 23 L 4.5296 8.6556 128.7245 53.0620 42.2366 176.4368 24 R 4.1758 8.5565 123.0922 55.1710 30.0865 174.7039 25 P 4.4709 0.0000 0.0000 63.9320 32.0169 175.5165 26 D 4.3847 8.9410 120.2526 55.0028 38.8576 173.8898 27 F 4.5535 8.4255 111.5401 56.5066 38.7383 173.8841 28 S 4.6795 9.6137 116.8912 55.8271 66.6445 174.6252 29 L 3.9712 8.3163 121.8799 58.8172 41.4413 178.6017 30 D 4.4380 8.0562 116.5450 57.0885 40.8225 177.9855 31 D 4.5266 7.8738 118.3355 57.4345 41.1305 178.3119 32 A 4.0143 8.0682 121.0249 54.9360 18.3161 180.6015 33 K 4.1552 7.8632 115.0919 56.8716 31.9317 179.3914 *35 V 3.9326 7.7803 120.9288 63.0940 33.4055 177.4897 36 I 3.3724 7.9263 120.6723 64.3476 36.8650 178.3533 37 R 4.0217 8.0544 118.6702 59.6045 29.9898 179.0064 38 A 4.0540 7.8724 119.6885 54.9575 18.2897 179.7855 39 V 3.5706 8.0373 117.2732 66.4343 31.6287 177.8960 40 Y 4.5058 8.0841 116.6609 60.9938 37.7323 178.9292 41 R 4.1516 8.0661 121.0874 58.8594 30.1082 178.3470 42 Q 3.9137 7.9703 117.8580 59.0941 29.2261 177.5038 43 V 3.8775 8.0019 117.5956 64.0724 32.0165 176.3567 44 L 4.6316 8.0214 116.1775 53.7866 43.0485 176.3763 45 G 3.9668 8.0156 105.7817 46.8327 0.0000 173.0910 46 N 5.0314 8.4256 116.6673 51.2686 41.1894 175.4969 47 D 4.7049 8.7680 121.8301 55.4096 41.8979 175.9663 48 Y 5.0651 7.5640 118.3329 56.1432 42.7427 173.7573 49 I 3.9010 6.6881 128.4464 60.5648 38.3465 176.4130 *51 D 4.6977 8.8478 123.6653 55.4321 42.4028 177.8560 52 S 4.1380 8.0564 111.4633 60.4630 63.1650 174.4949 53 E 4.3937 7.7882 118.0564 56.2151 30.2504 176.4055 54 R 3.9713 7.2794 118.4845 55.9223 31.3433 177.9213 55 L 4.4575 8.3288 122.0413 53.5874 38.1461 178.2969 56 K 4.0337 8.1159 122.1366 59.8364 32.6583 179.1056 57 G 3.6181 8.1553 104.7913 47.7733 0.0000 175.1870 58 A 4.1353 8.1189 123.5174 54.9087 18.5107 179.0444 59 E 3.6958 8.7992 117.3531 60.1223 29.5508 180.1311 60 S 4.1935 8.3041 114.8536 61.3737 62.8204 176.7823 61 L 4.0073 7.8802 121.4230 57.5769 41.4609 179.1982 62 L 4.0039 7.8794 120.2379 58.6111 41.7775 179.2370 63 T 4.0660 7.6909 114.2401 66.7100 68.4194 176.1569 64 N 4.5519 8.3068 117.8228 54.1630 38.4725 175.9215 65 G 4.1053 7.8688 106.9952 46.6494 0.0000 174.7388 66 S 4.4959 8.2546 117.6786 59.1168 63.4499 174.6905 67 I 4.6804 7.3554 112.0563 58.0087 40.4652 175.6994 68 S 4.4286 8.3161 117.3123 57.7615 65.3049 175.3830 69 V 3.5964 8.1977 121.0747 66.0825 31.0582 177.8551 70 R 3.9594 8.3073 118.5969 59.5602 29.8673 178.3347 71 E 3.9112 8.0873 117.9719 59.3449 29.3658 179.0213 72 F 4.0998 8.2910 120.6758 61.3299 39.3374 177.3041 73 V 3.4066 8.0365 117.8391 65.9515 31.4142 177.8850 74 R 3.7173 8.1070 118.6124 59.6367 29.8723 178.6982 75 T 3.7409 7.9264 115.6615 66.5920 68.2841 176.6258 76 V 3.4432 7.2635 118.7665 66.2795 31.4908 177.7303 77 A 3.3925 7.8201 118.8798 54.3127 18.1939 178.9831 78 K 4.4318 7.6858 115.2755 56.6069 32.8625 177.4077 79 S 4.3304 7.3107 114.6190 58.0619 63.5241 175.0732 80 E 3.9829 8.6409 120.7730 58.9528 29.1642 178.8035 81 L 3.8600 7.8441 119.0284 57.8853 41.6480 178.6572 82 Y 3.9673 7.8036 119.3946 60.5539 38.8124 177.8289 83 K 3.5927 7.7987 119.1650 59.2627 31.8926 179.2144 84 K 2.9988 7.4923 118.7778 58.7298 32.0204 178.4518 85 K 3.6078 7.0448 118.7534 58.8653 32.2856 178.1086 86 F 4.5775 7.4119 115.8611 58.4224 39.8980 177.8569 87 L 4.2510 7.4367 119.6106 58.0781 42.1001 178.1738 88 Y 4.4864 7.5646 114.3682 60.1227 37.8508 176.5754 89 N 4.9108 8.0635 114.5407 52.7637 39.9723 173.5736 90 N 4.8800 7.7694 114.4148 50.3898 42.7839 174.7324 91 F 4.8088 7.9972 118.4438 57.1795 41.0868 176.4683 92 Q 3.9586 8.9792 122.6123 59.8464 28.7549 178.9909 93 T 3.9500 8.1700 116.0880 67.0977 68.6136 176.1745 94 R 3.9580 8.1291 119.6426 59.3808 30.1382 178.4379 95 V 3.6755 7.8779 118.2262 66.1257 31.5564 178.1437 96 I 3.9061 8.1365 119.8501 64.2428 37.0498 178.2137 97 E 4.0463 8.2071 119.7177 59.3668 29.1690 179.2815 98 L 3.8473 7.7933 118.8013 57.2414 41.6783 179.2277 99 N 4.0566 8.1464 116.7019 56.2585 38.3345 176.9361 100 Y 3.6753 7.6237 117.9053 60.7909 37.8583 178.6750 101 K 4.1081 7.6981 121.1747 59.3140 32.1008 178.5778 102 H 4.2100 7.9894 115.1686 58.8168 28.8126 177.3029 103 L 4.4581 8.1512 118.3989 55.2956 40.9189 177.3410 104 L 4.8447 8.1075 117.0882 53.3731 43.2289 176.9632 105 G 4.2557 8.4862 107.0342 45.1313 0.0000 173.5040 106 R 4.7381 7.3630 111.3727 54.7621 32.4874 173.8495 107 A 4.3861 8.0969 121.4791 50.1214 20.2358 175.5418 108 P 3.7496 0.0000 0.0000 62.4743 32.0930 177.1241 109 F 4.8531 9.3144 121.2644 59.4794 39.7082 176.6245 110 S 4.8802 7.6625 113.9404 55.3955 65.8834 174.6062 111 E 4.0767 8.7697 120.2667 59.5031 29.0598 179.0267 112 D 4.4642 8.1478 119.9389 57.3482 40.9357 178.2916 113 E 4.0420 8.3070 119.0477 59.4499 29.5045 179.3664 114 V 3.7882 7.8845 117.7205 66.4502 31.5870 178.0394 115 I 3.8370 8.4017 119.6893 64.1405 36.9434 178.2132 116 F 4.0912 8.3139 121.8743 61.4100 39.2295 176.6309 117 H 4.3989 8.5064 114.9629 57.7907 28.7035 177.7166 118 L 4.1135 8.2059 121.3924 57.7820 41.4717 178.9537 119 D 4.2421 8.1861 117.8898 57.3438 41.1731 177.9167 120 L 3.7738 7.4482 120.6505 58.2811 41.9432 178.3821 121 Y 4.1316 8.0452 119.4512 60.6339 38.5487 177.4438 122 E 3.7629 8.1973 118.6789 59.4029 29.6210 178.7098 123 N 4.5144 7.9299 115.3136 55.1906 38.9804 176.5891 124 Q 4.5454 8.5731 116.3014 54.0764 31.1665 176.5867 125 G 3.9280 7.6211 105.5306 44.9332 0.0000 174.2583 126 F 4.3689 9.1712 119.9761 61.7955 39.2285 176.9018 127 D 4.4237 8.4706 117.5155 57.4594 40.4325 178.5758 128 A 4.0303 7.8909 119.8603 54.7463 18.7739 178.7343 129 D 4.2948 7.9927 116.5031 57.4817 41.0554 178.3525 130 I 3.7323 7.4227 120.2391 64.7660 37.1397 177.9333 131 D 4.3119 8.0018 119.6715 57.5453 40.3533 179.2361 132 S 4.1552 7.6116 113.7590 61.1004 62.8850 176.0046 133 Y 3.9664 7.2684 120.3591 61.0563 37.4455 178.1497 134 I 3.1654 7.5635 118.5677 63.4007 37.4664 176.5103 135 D 4.5654 7.7316 118.3024 54.5323 41.4292 177.6323 136 S 4.9663 7.2547 116.3225 57.8069 64.9424 175.3439 137 V 3.5729 8.3123 122.7516 66.1138 31.1545 178.1781 138 E 3.8667 8.0846 118.7219 59.4213 29.5712 178.1705 139 Y 3.7899 8.1576 119.6572 60.5776 38.7285 177.4109 140 Q 4.1152 8.4483 120.6852 59.4672 28.8884 178.2513 141 E 4.0806 7.9080 117.5540 58.3449 29.8206 177.8898 142 N 4.3774 7.5811 115.2192 54.1204 39.0544 176.0076 143 F 4.9179 7.7424 116.6655 55.9750 42.0007 175.9436 144 G 4.0170 7.7259 108.1207 46.5437 0.0000 172.5610 145 E 4.2207 8.7378 115.7760 58.6025 29.9572 177.7202 146 N 5.1213 8.2472 113.4487 52.4726 40.1227 172.9896 147 I 4.9490 7.4485 119.9233 59.0771 39.5910 175.7546 148 V 3.6753 8.4569 128.0125 62.0164 31.9282 174.0260 149 P 2.9700 0.0000 0.0000 62.6077 31.8234 175.1841 150 Y 4.7655 7.0462 119.7946 54.5643 41.2115 173.9544 151 Y 4.4452 8.7183 122.0956 58.3100 39.0119 175.8535 152 R 4.3643 8.0623 127.5128 54.7423 30.3132 176.6837 153 F 4.4953 8.4583 122.2161 59.2018 39.4526 175.7160 154 N 4.8489 7.7506 117.2910 51.8168 42.9905 175.0650 *158 G 3.7074 8.4014 110.9276 44.7820 0.0000 172.9244 159 L 3.2740 7.5644 122.0650 57.9336 42.2440 180.0832 160 E 4.1008 8.0061 114.5833 58.6463 29.6998 176.9742 161 H 4.8084 8.0032 115.1454 55.8853 29.4406 174.6493 162 H 4.5578 7.8140 119.4855 56.0557 30.5156 173.7021 163 H 4.9766 7.7713 122.8252 54.9973 32.9676 173.0295 164 H 4.4844 8.7705 120.0658 57.9670 29.5766 175.1137 165 H 4.3535 6.5064 120.2716 54.5123 29.2967 174.0168 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 19 R 8.24 4.22 0.00 1.81 1.95 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 20 P 0.00 3.93 0.00 2.14 1.23 0.00 3.58 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 21 V 8.50 4.06 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 0.92 0.00 0.00 22 E 8.74 5.09 0.00 1.99 1.76 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 2.18 2.48 0.00 23 L 8.66 4.53 0.00 1.45 1.42 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.56 4.18 0.00 2.02 1.97 0.00 3.28 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 25 P 0.00 4.47 0.00 2.23 2.15 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 26 D 8.94 4.38 0.00 2.82 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 27 F 8.43 4.55 0.00 3.27 3.19 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 0.00 0.00 0.00 0.00 28 S 9.61 4.68 0.00 3.99 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 29 L 8.32 3.97 0.00 1.78 1.73 0.95 1.18 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 30 D 8.06 4.44 0.00 2.71 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 31 D 7.87 4.53 0.00 3.12 2.81 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 32 A 8.07 4.01 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 33 K 7.86 4.16 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.62 7.81 *35 V 7.78 3.93 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 0.94 0.00 0.00 0.89 0.00 0.00 36 I 7.93 3.37 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.02 0.64 0.00 0.00 37 R 8.05 4.02 0.00 1.95 2.06 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 38 A 7.87 4.05 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 39 V 8.04 3.57 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 1.07 0.00 0.00 1.06 0.00 0.00 40 Y 8.08 4.51 0.00 3.22 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 41 R 8.07 4.15 0.00 2.12 2.13 0.00 3.17 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 42 Q 7.97 3.91 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 43 V 8.00 3.88 2.23 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 0.98 0.00 0.00 0.93 0.00 0.00 44 L 8.02 4.63 0.00 1.97 1.75 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.02 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 46 N 8.43 5.03 0.00 2.74 2.73 0.00 0.00 7.03 8.84 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 47 D 8.77 4.70 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.56 5.07 0.00 2.80 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 49 I 6.69 3.90 1.35 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.41 0.53 0.00 0.00 *51 D 8.85 4.70 0.00 2.82 2.76 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 S 8.06 4.14 0.00 3.96 3.99 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 53 E 7.79 4.39 0.00 1.81 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 2.15 2.16 0.00 54 R 7.28 3.97 0.00 1.90 2.09 0.00 3.18 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 55 L 8.33 4.46 0.00 1.89 1.75 0.93 1.39 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 56 K 8.12 4.03 0.00 1.80 1.94 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.75 1.52 7.81 57 G 8.16 3.62 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 0.00 0.00 0.00 58 A 8.12 4.14 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 0.00 0.00 0.00 0.00 0.00 59 E 8.80 3.70 0.00 2.26 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 2.42 2.85 0.00 60 S 8.30 4.19 0.00 4.05 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 61 L 7.88 4.01 0.00 1.94 1.75 0.97 0.46 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 62 L 7.88 4.00 0.00 1.38 1.35 0.72 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 63 T 7.69 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 1.30 0.00 0.00 64 N 8.31 4.55 0.00 2.90 2.94 0.00 0.00 7.05 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 65 G 7.87 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.25 4.50 0.00 3.91 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 0.00 67 I 7.36 4.68 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.69 0.95 0.00 0.00 68 S 8.32 4.43 0.00 4.24 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 0.00 69 V 8.20 3.60 2.27 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 1.05 0.00 0.00 0.83 0.00 0.00 70 R 8.31 3.96 0.00 2.15 1.92 0.00 3.06 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.79 0.00 71 E 8.09 3.91 0.00 2.22 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 2.33 2.47 0.00 72 F 8.29 4.10 0.00 3.07 3.19 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 0.00 0.00 0.00 0.00 73 V 8.04 3.41 2.27 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 1.01 0.00 0.00 1.06 0.00 0.00 74 R 8.11 3.72 0.00 1.77 1.94 0.00 3.29 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 75 T 7.93 3.74 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 76 V 7.26 3.44 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 0.89 0.00 0.00 0.17 0.00 0.00 77 A 7.82 3.39 0.96 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 0.00 0.00 78 K 7.69 4.43 0.00 1.78 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.22 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.52 7.81 79 S 7.31 4.33 0.00 4.03 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 80 E 8.64 3.98 0.00 2.10 1.97 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 2.40 2.51 0.00 81 L 7.84 3.86 0.00 1.77 1.68 0.88 0.75 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 82 Y 7.80 3.97 0.00 3.19 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 83 K 7.80 3.59 0.00 1.43 1.26 0.00 1.66 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.60 1.45 7.81 84 K 7.49 3.00 0.00 1.72 1.61 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.57 7.81 85 K 7.04 3.61 0.00 1.24 0.74 0.00 1.40 0.00 0.00 0.90 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.87 7.81 86 F 7.41 4.58 0.00 2.69 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 87 L 7.44 4.25 0.00 1.67 1.58 1.07 0.57 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 88 Y 7.56 4.49 0.00 2.89 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 89 N 8.06 4.91 0.00 2.59 2.73 0.00 0.00 6.71 8.00 0.00 0.00 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 N 7.77 4.88 0.00 2.84 2.65 0.00 0.00 6.96 8.13 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 91 F 8.00 4.81 0.00 3.12 2.89 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 92 Q 8.98 3.96 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 93 T 8.17 3.95 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 1.28 0.00 0.00 94 R 8.13 3.96 0.00 1.99 2.13 0.00 3.38 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 95 V 7.88 3.68 2.42 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 1.17 0.00 0.00 1.05 0.00 0.00 96 I 8.14 3.91 2.18 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.13 1.28 0.00 0.00 97 E 8.21 4.05 0.00 2.24 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 2.32 2.53 0.00 98 L 7.79 3.85 0.00 1.76 1.23 0.98 0.40 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 N 8.15 4.06 0.00 2.25 1.42 0.00 0.00 6.92 7.10 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 0.00 100 Y 7.62 3.68 0.00 3.08 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 0.00 101 K 7.70 4.11 0.00 1.85 1.73 0.00 1.53 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.24 7.81 102 H 7.99 4.21 0.00 3.10 3.28 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.15 4.46 0.00 1.42 1.77 0.63 0.84 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 0.00 104 L 8.11 4.84 0.00 1.85 1.70 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.49 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 0.00 106 R 7.36 4.74 0.00 1.81 1.90 0.00 2.21 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 107 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 0.00 108 P 0.00 3.75 0.00 1.82 1.42 0.00 3.52 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.34 0.00 109 F 9.31 4.85 0.00 3.07 3.03 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 0.00 110 S 7.66 4.88 0.00 3.99 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 0.00 111 E 8.77 4.08 0.00 2.24 2.29 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 2.39 2.44 0.00 112 D 8.15 4.46 0.00 2.74 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 0.00 113 E 8.31 4.04 0.00 2.08 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 2.40 2.36 0.00 114 V 7.88 3.79 2.28 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 1.16 0.00 0.00 0.93 0.00 0.00 115 I 8.40 3.84 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.96 0.00 0.00 116 F 8.31 4.09 0.00 3.18 3.31 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 0.00 117 H 8.51 4.40 0.00 3.50 3.56 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.21 4.11 0.00 1.91 1.80 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.19 4.24 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.45 3.77 0.00 1.29 1.36 0.79 0.73 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 0.00 121 Y 8.05 4.13 0.00 3.11 3.27 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 0.00 122 E 8.20 3.76 0.00 2.10 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 2.71 2.54 0.00 123 N 7.93 4.51 0.00 2.72 2.80 0.00 0.00 6.86 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 0.00 124 Q 8.57 4.55 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.43 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 125 G 7.62 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 0.00 126 F 9.17 4.37 0.00 3.55 3.27 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 0.00 127 D 8.47 4.42 0.00 2.89 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 0.00 128 A 7.89 4.03 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 0.00 129 D 7.99 4.29 0.00 2.93 2.76 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 0.00 130 I 7.42 3.73 1.84 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 0.74 0.36 0.73 0.00 0.00 131 D 8.00 4.31 0.00 2.83 2.83 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 0.00 132 S 7.61 4.16 0.00 4.03 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 0.00 133 Y 7.27 3.97 0.00 2.91 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 0.00 134 I 7.56 3.17 1.63 0.00 0.00 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 1.02 0.31 0.41 0.00 0.00 135 D 7.73 4.57 0.00 2.71 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 0.00 136 S 7.25 4.97 0.00 4.12 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 0.00 137 V 8.31 3.57 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 1.05 0.00 0.00 0.91 0.00 0.00 138 E 8.08 3.87 0.00 2.16 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 2.20 2.30 0.00 139 Y 8.16 3.79 0.00 3.23 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 0.00 140 Q 8.45 4.12 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 141 E 7.91 4.08 0.00 2.00 1.93 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 2.30 2.44 0.00 142 N 7.58 4.38 0.00 1.44 1.42 0.00 0.00 6.78 7.61 0.00 0.00 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 F 7.74 4.92 0.00 2.35 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 0.00 144 G 7.73 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 0.00 0.00 0.00 145 E 8.74 4.22 0.00 2.06 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 2.45 2.31 0.00 146 N 8.25 5.12 0.00 2.73 2.93 0.00 0.00 6.95 7.29 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 0.00 147 I 7.45 4.95 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.78 1.16 0.00 0.00 148 V 8.46 3.68 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 0.72 0.00 0.00 0.91 0.00 0.00 149 P 0.00 2.97 0.00 1.68 1.12 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.36 0.00 150 Y 7.05 4.77 0.00 3.04 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 0.00 151 Y 8.72 4.45 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.36 0.00 1.63 1.79 0.00 2.95 0.00 0.00 2.86 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 153 F 8.46 4.50 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.85 0.00 2.70 2.69 0.00 0.00 6.87 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 *158 G 8.40 3.71 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 0.00 0.00 0.00 159 L 7.56 3.27 0.00 1.52 1.47 0.48 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.01 4.10 0.00 2.01 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 2.21 2.31 0.00 161 H 8.00 4.81 0.00 3.28 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 H 7.81 4.56 0.00 3.22 3.60 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 7.77 4.98 0.00 2.82 2.65 0.00 5.97 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 0.00 164 H 8.77 4.48 0.00 3.37 3.77 0.00 5.72 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 0.00 165 H 6.51 4.35 0.00 3.36 3.49 0.00 5.50 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.