NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2860 8.0385 120.6291 54.1808 43.6919 178.1320 7 A 3.8008 8.1310 123.7724 54.8211 18.3237 177.3610 8 L 4.3546 8.6567 113.8917 54.8704 42.6749 174.6352 9 I 4.3987 7.2969 121.0382 58.5633 38.0567 173.8880 10 P 4.4762 0.0000 0.0000 62.5228 32.1693 177.0099 11 D 4.2630 8.6042 120.1481 56.6073 41.8165 176.0323 12 V 4.8096 7.2196 117.3884 61.4977 35.0549 174.5738 13 D 4.5875 8.7678 125.6476 53.9258 43.5938 173.8882 14 I 5.3043 8.0492 118.1686 58.3411 41.4666 174.3398 15 D 4.6368 7.7236 122.4708 53.7408 42.3960 174.6649 16 S 4.1608 8.0889 112.9350 57.0739 65.4455 174.2197 17 D 4.2941 8.7027 113.8845 58.0544 36.8752 173.6812 18 G 4.2900 7.9493 113.9260 43.1747 0.0000 170.1916 19 V 4.9340 7.6729 119.9589 61.3913 33.5297 174.5988 20 F 4.8344 7.7239 118.8139 56.0148 41.3639 173.3492 21 K 4.8959 8.5077 119.2868 56.6740 33.6730 175.3968 22 Y 4.9973 8.6581 119.4574 56.3783 42.1187 173.6854 23 V 4.4100 8.7671 111.8992 59.6290 36.9755 173.9384 24 L 5.2643 8.3353 124.0706 53.5065 44.3345 175.1370 25 I 4.9517 8.9240 126.8879 59.4855 41.1427 174.5327 26 R 4.7473 8.8698 127.2730 55.0007 31.3488 174.8458 27 V 4.5942 8.7249 127.8485 61.8654 33.6842 174.1803 28 H 5.0747 8.5069 124.8599 54.0214 30.1095 174.3613 *40 S 4.3290 8.5987 117.7586 57.9462 64.1588 172.6899 41 K 4.7636 8.3595 119.4130 55.4008 36.3433 174.5282 42 E 5.3454 8.7429 120.0568 54.7553 31.7929 175.4841 43 I 4.8913 9.0249 116.5515 59.1343 41.8641 174.1393 44 V 4.8490 8.8726 123.8307 61.5210 33.6101 174.7414 45 R 4.5584 9.1852 126.6755 54.4084 33.6194 174.7081 46 G 4.6012 8.0924 111.4549 44.5530 0.0000 170.3681 47 Y 4.9499 8.0467 121.2557 56.1467 41.8461 175.6805 48 K 4.1903 9.0675 120.4173 57.7092 32.5361 178.5383 49 W 4.3290 7.6498 114.4435 57.5177 28.5945 175.7365 50 A 4.6260 7.1084 123.0217 50.9485 18.9206 176.9738 51 E 3.9533 9.0431 123.5115 58.5379 30.0285 176.7548 52 Y 4.8812 8.0483 114.8629 55.7346 41.6213 176.3683 53 H 4.2735 8.9808 118.6098 59.0241 28.8680 177.9092 54 A 5.0099 8.3443 123.4406 54.6854 18.0236 179.2938 55 D 4.5612 8.1128 117.7423 57.8412 40.9870 178.9924 56 I 4.2101 7.7896 119.8792 64.6068 37.2189 177.4319 57 Y 4.1026 8.5791 120.7978 60.7190 38.5194 177.4138 58 D 4.4541 8.4756 119.9987 57.2896 41.4357 178.9365 59 K 4.1417 7.8274 118.6729 59.1594 32.1731 179.1209 60 V 3.8739 7.8992 118.7500 65.9451 31.4292 177.8028 61 S 4.2754 7.8915 111.5253 59.7354 62.9048 175.7661 62 G 3.7795 7.3927 109.2546 47.3345 0.0000 176.6785 63 D 4.6545 7.4678 120.8805 53.9659 41.1535 177.5197 *65 Q 4.3581 8.1574 122.3865 55.9570 30.7512 175.6449 66 K 4.2651 7.6452 115.4418 57.0288 32.7758 177.6181 67 Q 4.4255 8.1105 114.5544 56.7187 32.7283 175.4889 68 G 4.0630 8.2641 106.8692 45.4754 0.0000 174.0592 69 C 4.3494 7.6600 116.3241 59.7551 29.0834 172.6502 70 D 5.0094 8.4244 122.4101 53.5123 43.2781 174.7370 71 C 5.8957 8.2562 116.4142 57.7543 33.0095 173.1491 72 E 4.7526 8.5600 117.1265 55.5390 33.7765 174.0163 73 C 4.2681 8.1802 124.3619 57.5726 32.1248 172.6727 74 L 4.3751 8.4573 127.0907 55.1623 42.6053 176.7751 75 G 3.7369 8.7061 105.5998 44.9589 0.0000 173.1966 76 G 3.9036 8.0107 105.9688 44.9090 0.0000 172.1244 77 G 4.1688 7.3062 107.8252 46.1550 0.0000 172.5208 78 R 5.0477 8.1330 121.6942 54.4042 35.1229 174.2916 79 I 4.6391 8.1501 122.5117 59.3984 40.9554 174.6592 80 S 4.6334 9.1619 121.7323 56.9633 64.2709 171.6265 81 H 5.2200 9.0141 128.0693 54.7529 31.9843 173.6431 82 Q 4.8607 8.6462 123.8311 54.5384 31.6274 176.6032 83 S 4.1992 9.8777 121.8955 61.6087 62.9222 175.8955 84 Q 3.8246 7.9121 119.3629 59.5581 28.7681 176.8642 85 D 4.4830 7.9027 115.6417 52.5509 40.6708 176.4757 86 K 3.1116 7.4609 118.2863 57.0636 29.7773 173.5175 87 K 5.1035 8.3289 117.5167 54.7407 37.5906 176.3271 88 I 4.9442 9.1364 124.5188 59.8061 40.8063 173.6933 89 H 5.3852 8.9352 127.1019 54.3000 32.4132 172.6965 90 V 4.8357 8.8265 126.2205 61.6434 34.1325 174.2495 91 Y 4.2454 8.5943 124.0790 57.8467 41.5527 173.6999 92 G 3.5535 10.3822 109.2981 45.8008 0.0000 171.7127 93 Y 5.3204 7.4295 115.0341 56.4875 41.5122 173.5645 94 S 4.6467 8.8519 114.9618 57.0941 63.8495 173.9425 *96 A 4.0317 8.5021 118.4436 51.7728 20.1848 177.1329 97 Y 4.5363 7.5618 111.2327 57.1485 39.9770 176.9086 98 G 3.9064 8.0039 108.7290 43.6946 0.0000 170.6638 99 P 4.9482 0.0000 0.0000 61.9407 32.6105 175.1116 100 A 4.7445 7.9359 122.1945 50.1133 20.8617 178.4620 101 Q 4.0127 8.0836 119.8969 55.1791 27.9082 176.8903 102 H 4.2071 8.0067 122.2851 57.8175 29.0221 176.8257 103 A 3.2122 6.6949 122.7569 54.6655 17.6945 179.5408 104 I 3.6365 7.6081 118.5169 64.4318 37.0510 178.9191 105 S 4.1239 7.7375 115.6119 61.8661 62.8039 176.4885 106 T 3.8293 8.1158 118.8481 66.5792 68.2131 176.2479 107 E 3.9150 8.0482 120.8404 59.3798 29.4870 179.1411 108 K 4.0461 7.7381 117.7651 59.3287 32.0104 179.5603 109 I 3.7003 8.0259 120.6117 64.2287 36.8147 178.3755 110 K 4.0782 7.9766 119.3613 59.3572 32.1028 178.5244 111 A 4.1041 7.8789 120.2183 54.4359 18.2888 178.7331 112 K 4.0438 7.4234 116.6525 57.2930 33.9093 176.2488 113 Y 4.9501 7.7231 116.1173 55.8360 38.1848 174.9096 114 P 4.6480 0.0000 0.0000 65.4140 31.7834 177.3133 115 D 4.5202 8.3015 116.9119 55.8927 41.5552 175.0953 116 Y 4.6821 8.4019 116.3509 57.0269 40.4324 174.6857 117 E 4.5401 8.6061 121.9189 54.9421 31.2203 174.5925 118 V 5.0845 8.4988 127.7015 61.4659 33.3328 174.7052 119 T 5.0980 9.2528 117.6752 59.8215 72.6378 172.5795 120 W 6.2916 8.6761 117.6628 53.9741 31.6837 173.4252 121 A 4.7277 8.6357 121.5721 50.0276 22.5697 175.8974 122 N 4.5174 8.8408 114.9246 53.6833 39.0520 174.2032 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 6 L 8.04 4.29 0.00 1.73 1.76 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.13 3.80 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 8 L 8.66 4.35 0.00 1.65 1.70 0.92 0.77 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 9 I 7.30 4.40 1.99 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 1.36 0.58 0.93 0.00 0.00 10 P 0.00 4.48 0.00 2.41 2.17 0.00 3.72 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 2.10 2.01 0.00 11 D 8.60 4.26 0.00 2.69 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 12 V 7.22 4.81 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 0.76 0.00 0.00 0.96 0.00 0.00 13 D 8.77 4.59 0.00 2.83 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.05 5.30 2.11 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 1.49 1.36 0.99 0.00 0.00 15 D 7.72 4.64 0.00 1.58 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 0.00 0.00 0.00 16 S 8.09 4.16 0.00 3.63 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.70 4.29 0.00 2.83 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 18 G 7.95 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 0.00 0.00 0.00 0.00 19 V 7.67 4.93 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 0.88 0.00 0.00 0.97 0.00 0.00 20 F 7.72 4.83 0.00 3.32 3.05 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 21 K 8.51 4.90 0.00 1.57 1.42 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.34 7.81 22 Y 8.66 5.00 0.00 3.13 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 23 V 8.77 4.41 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 0.74 0.00 0.00 1.01 0.00 0.00 24 L 8.34 5.26 0.00 1.77 1.42 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.92 4.95 1.92 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 1.31 0.79 1.03 0.00 0.00 26 R 8.87 4.75 0.00 1.83 1.77 0.00 3.42 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.47 0.00 27 V 8.72 4.59 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 0.90 0.00 0.00 0.93 0.00 0.00 28 H 8.51 5.07 0.00 3.10 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 S 8.60 4.33 0.00 4.08 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 41 K 8.36 4.76 0.00 1.80 1.88 0.00 1.27 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.38 7.81 42 E 8.74 5.35 0.00 1.83 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 2.18 2.25 0.00 43 I 9.02 4.89 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.98 0.00 0.00 44 V 8.87 4.85 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 0.91 0.00 0.00 0.95 0.00 0.00 45 R 9.19 4.56 0.00 1.76 1.75 0.00 3.47 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 46 G 8.09 4.60 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 47 Y 8.05 4.95 0.00 1.64 2.25 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 48 K 9.07 4.19 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.05 7.81 49 W 7.65 4.33 0.00 3.48 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 50 A 7.11 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.04 3.95 0.00 1.77 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 2.19 2.29 0.00 52 Y 8.05 4.88 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 8.98 4.27 0.00 3.44 3.64 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.34 5.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.56 0.00 3.04 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.79 4.21 2.06 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 1.09 0.00 0.00 57 Y 8.58 4.10 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.48 4.45 0.00 2.86 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 59 K 7.83 4.14 0.00 2.15 2.25 0.00 1.93 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.57 7.81 60 V 7.90 3.87 2.17 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 1.01 0.00 0.00 1.14 0.00 0.00 61 S 7.89 4.28 0.00 3.70 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 62 G 7.39 3.78 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 0.00 0.00 0.00 63 D 7.47 4.65 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 Q 8.16 4.36 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.21 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 66 K 7.65 4.27 0.00 1.84 1.86 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.42 7.81 67 Q 8.11 4.43 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 68 G 8.26 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 0.00 0.00 0.00 69 C 7.66 4.35 0.00 2.98 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 70 D 8.42 5.01 0.00 2.74 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 71 C 8.26 5.90 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.56 4.75 0.00 1.87 1.75 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 2.34 2.38 0.00 73 C 8.18 4.27 0.00 1.23 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 0.00 0.00 0.00 74 L 8.46 4.38 0.00 1.53 1.56 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.71 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 0.00 0.00 0.00 76 G 8.01 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 0.00 0.00 0.00 77 G 7.31 4.17 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 0.00 0.00 0.00 78 R 8.13 5.05 0.00 0.67 1.41 0.00 2.87 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.29 0.00 79 I 8.15 4.64 0.89 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.52 0.64 0.00 0.00 80 S 9.16 4.63 0.00 3.92 3.77 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 81 H 9.01 5.22 0.00 3.35 3.29 0.00 5.60 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 82 Q 8.65 4.86 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 83 S 9.88 4.20 0.00 3.97 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 84 Q 7.91 3.82 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 85 D 7.90 4.48 0.00 2.74 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 86 K 7.46 3.11 0.00 1.53 0.80 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.69 1.20 7.81 87 K 8.33 5.10 0.00 1.67 1.63 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.54 7.81 88 I 9.14 4.94 1.82 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.66 0.81 0.00 0.00 89 H 8.94 5.39 0.00 3.24 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.83 4.84 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 0.64 0.00 0.00 0.75 0.00 0.00 91 Y 8.59 4.25 0.00 3.27 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 92 G 10.38 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.43 5.32 0.00 2.90 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 94 S 8.85 4.65 0.00 3.41 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 *96 A 8.50 4.03 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.56 4.54 0.00 2.91 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 98 G 8.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.95 0.00 2.22 2.20 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 100 A 7.94 4.74 1.17 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 0.00 0.00 101 Q 8.08 4.01 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 102 H 8.01 4.21 0.00 3.09 3.35 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 6.69 3.21 0.71 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 0.00 104 I 7.61 3.64 1.92 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.87 0.00 0.00 105 S 7.74 4.12 0.00 3.95 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 0.00 106 T 8.12 3.83 4.36 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 1.36 0.00 0.00 107 E 8.05 3.92 0.00 2.15 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 2.30 2.36 0.00 108 K 7.74 4.05 0.00 1.98 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.62 7.81 109 I 8.03 3.70 2.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.69 0.96 0.00 0.00 110 K 7.98 4.08 0.00 1.89 2.02 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.51 1.55 7.81 111 A 7.88 4.10 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 0.00 112 K 7.42 4.04 0.00 1.67 1.76 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.38 1.08 7.81 113 Y 7.72 4.95 0.00 3.01 2.61 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 0.00 0.00 0.00 0.00 114 P 0.00 4.65 0.00 2.23 2.25 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 115 D 8.30 4.52 0.00 2.78 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 0.00 116 Y 8.40 4.68 0.00 2.97 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 0.00 117 E 8.61 4.54 0.00 2.02 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 118 V 8.50 5.08 2.16 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 0.97 0.00 0.00 1.01 0.00 0.00 119 T 9.25 5.10 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 1.23 0.00 0.00 120 W 8.68 6.29 0.00 3.56 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.64 4.73 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 0.00 122 N 8.84 4.52 0.00 3.07 2.99 0.00 0.00 5.83 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 * Residues marked with a * may have inaccurate shift predictions.