NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.1616 8.4449 120.1721 56.3923 29.6678 174.5365 12 F 4.8097 8.2159 123.4595 54.6786 41.6390 173.3058 13 S 4.6446 8.6609 115.1188 56.6011 65.7500 173.3220 14 V 3.7077 8.7331 127.6446 65.7072 31.3123 175.9735 15 C 5.2681 7.8068 115.2187 54.8713 40.8572 173.8097 16 D 4.7961 8.7217 124.1896 54.3346 41.8010 175.5721 17 S 4.9695 8.5370 116.7136 56.7414 67.0683 173.1092 18 V 4.5408 8.7778 118.3025 60.1583 34.4606 174.5835 19 S 5.0953 8.5673 119.4028 56.8895 65.4350 173.7239 20 V 4.4753 8.0439 121.7016 60.3488 34.9308 172.7806 21 W 4.8431 8.8811 123.0624 56.3238 30.1955 175.7345 22 V 4.5341 9.5995 125.0732 60.9183 33.6407 175.9030 23 G 4.3611 8.9821 114.8048 44.8413 0.0000 171.7677 24 D 4.8228 8.1770 115.9738 53.1013 41.7652 175.4956 25 K 3.8532 8.2907 119.0235 57.2070 31.7977 174.6052 26 T 4.4751 7.9165 116.4193 62.0095 70.2306 173.8339 27 T 4.9469 7.6229 114.3263 60.1025 71.3321 173.4695 28 A 4.5574 8.6252 122.7197 51.6067 23.4363 175.0992 29 T 5.0078 8.3176 116.2579 62.0416 71.0476 174.6279 30 D 5.1565 9.0938 126.3105 52.0633 41.3909 177.2507 31 I 3.7891 8.5934 119.1912 63.1741 37.8487 176.3803 32 K 4.3449 8.3318 117.2330 56.1269 32.3189 176.3222 33 G 3.8242 8.5403 107.2247 46.0132 0.0000 173.2043 34 K 4.4193 8.9107 121.7635 54.5373 33.7970 175.2190 35 E 4.6657 8.7791 129.2915 56.1905 30.3166 175.9224 36 V 4.6188 9.0718 125.8484 60.5357 35.8169 173.7910 37 M 4.9452 8.4982 120.4703 54.0281 34.3805 175.1807 38 V 4.5827 8.6661 122.9021 60.7293 33.1356 175.6559 39 L 4.0527 8.2583 128.1451 55.0805 41.8570 177.4202 40 G 3.7328 8.4700 108.8987 48.6722 0.0000 173.3440 41 E 5.0496 7.8819 118.5851 53.8993 33.7675 174.8311 42 V 4.7336 9.1727 112.8040 60.1482 36.4748 173.9802 43 N 5.9828 8.7466 119.9936 51.0231 38.9413 174.4409 44 I 4.5193 8.5108 120.1963 62.6417 40.2774 176.4986 45 N 4.8900 8.2287 115.1211 52.6736 39.9698 173.5918 46 N 4.2596 8.3968 107.6513 54.3329 37.3075 175.3235 47 S 4.4517 7.9077 113.0764 57.0237 66.8610 173.4482 48 V 4.7652 8.1146 118.1866 59.8662 33.3670 175.3437 49 F 5.0171 9.4219 122.6506 55.5158 43.4277 174.0137 50 K 4.5440 8.7209 121.2797 55.7202 33.8873 175.8331 51 Q 4.2789 8.1752 124.4612 55.4684 29.7917 174.5398 52 Y 5.2615 8.2886 121.5535 56.3635 40.8768 175.3572 53 F 5.0574 9.6449 120.7863 55.9710 43.6343 173.6084 54 F 4.0813 9.1189 126.5024 57.4094 39.5962 174.2345 55 E 4.7531 8.3604 126.4360 54.6721 32.6573 175.4989 56 T 4.8562 8.1737 119.1573 61.8228 71.4917 173.4301 57 K 4.6721 8.8318 124.9269 54.5439 36.6194 174.8761 58 C 4.9963 8.3016 118.8504 56.3207 41.5486 174.3338 59 R 4.3462 8.0875 117.2643 55.8824 29.9252 173.8851 60 D 4.6395 8.0387 122.7106 54.6969 39.9527 174.7113 *67 G 3.8741 8.4823 111.3261 45.2077 0.0000 173.0337 68 C 4.6909 7.5378 116.4232 55.5737 39.9730 173.1485 69 R 4.2889 8.8244 122.2565 56.4895 30.5765 177.3917 70 G 4.0844 8.7408 111.4215 45.8210 0.0000 173.5432 71 I 3.9014 6.9640 119.1945 60.5559 38.7704 176.1882 72 D 4.6974 8.4413 126.0949 52.6179 39.6312 176.0932 73 S 4.2884 8.5702 118.8677 60.8877 62.8237 176.1326 74 K 3.6875 8.2407 119.3545 59.5029 31.9685 176.3437 75 H 4.6427 8.3727 114.2640 55.7656 30.7710 175.1116 76 W 5.5339 7.8195 115.8886 54.9104 32.8444 174.8641 77 N 5.2255 9.6528 120.6304 52.3871 40.3291 174.3158 78 S 5.6593 8.7630 114.8871 57.7776 66.2966 172.5113 79 Y 4.9668 8.1171 117.6163 56.2778 41.2712 173.9420 80 C 5.1744 8.8096 117.7594 56.3339 39.4120 173.2177 81 T 4.8918 8.9474 118.0480 62.3299 73.2043 172.7513 82 T 4.9648 8.4494 120.3139 62.5485 69.9499 174.8994 83 T 4.3408 8.7790 117.3946 60.8359 71.5720 172.9888 84 H 5.2670 8.2501 117.6632 54.4963 33.3939 172.0161 85 T 4.3866 8.4656 113.4664 60.5822 71.4193 171.8405 86 F 5.6386 8.5760 119.3583 55.8292 42.4934 175.0410 87 V 4.9109 9.1588 122.1041 61.0248 35.3673 174.0490 88 K 4.6495 9.1201 127.6502 56.0538 32.9117 175.6087 89 A 5.3173 9.2540 128.0230 50.3900 23.7870 174.5643 90 L 3.7186 9.8592 122.9212 54.3818 42.7852 175.7390 91 T 4.7519 9.1596 118.1819 59.6367 71.5723 174.0126 92 M 4.4936 7.9111 124.9587 53.8289 29.9626 175.6717 93 D 4.4079 8.0862 119.6359 54.9746 41.5501 177.3203 94 G 3.9226 8.7495 114.2393 45.9993 0.0000 172.4577 95 K 3.9392 8.4514 119.5377 57.5202 33.0504 178.0928 96 Q 4.4896 8.0036 120.8886 55.3760 31.1770 175.1364 97 A 4.7934 8.2900 121.9473 51.1357 20.3558 176.5021 98 A 4.6032 10.1327 121.8998 50.0545 23.5376 174.9286 99 W 5.1648 8.6129 119.2217 55.9245 30.2611 176.2258 100 R 4.7105 8.9025 122.6526 54.6534 35.2117 174.0243 101 F 5.1417 8.7154 118.8987 56.4176 40.3882 175.3793 102 I 4.8662 9.1801 118.5634 59.2473 40.2301 174.8394 103 R 4.8235 8.8922 125.6594 56.0475 30.8388 175.7232 104 I 4.6480 8.4618 119.1423 58.7934 41.2736 174.3979 105 D 4.8495 8.9666 125.4917 55.3801 41.3608 176.5479 106 T 4.5758 8.6142 115.4709 61.3073 69.2962 172.7256 107 A 4.3533 6.9782 118.3694 52.1627 23.5669 174.1009 108 C 5.3730 8.8022 118.9408 55.0173 42.8705 173.4787 109 V 4.6152 8.9360 118.7546 59.6665 35.9655 173.4776 110 C 4.9759 8.5518 122.1143 55.3403 39.5007 172.7079 111 V 4.3081 8.0120 125.4806 61.0309 33.4049 174.4013 112 L 5.1988 8.3462 127.0061 53.4410 44.3304 176.0703 113 S 4.6520 9.0485 115.7495 56.6572 65.6417 173.1229 114 R 4.2065 8.9818 128.7436 56.1017 30.5391 176.0588 115 K 4.2054 8.7376 127.4899 56.7196 31.8172 176.3854 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 11 E 8.44 4.16 0.00 1.84 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 2.13 2.23 0.00 12 F 8.22 4.81 0.00 3.15 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 13 S 8.66 4.64 0.00 3.82 3.75 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 14 V 8.73 3.71 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 0.94 0.00 0.00 0.91 0.00 0.00 15 C 7.81 5.27 0.00 2.94 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.72 4.80 0.00 2.59 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 17 S 8.54 4.97 0.00 3.89 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 18 V 8.78 4.54 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 0.66 0.00 0.00 0.92 0.00 0.00 19 S 8.57 5.10 0.00 3.75 3.52 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 20 V 8.04 4.48 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 0.69 0.00 0.00 1.01 0.00 0.00 21 W 8.88 4.84 0.00 3.32 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 22 V 9.60 4.53 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 1.17 0.00 0.00 1.03 0.00 0.00 23 G 8.98 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 0.00 0.00 0.00 0.00 24 D 8.18 4.82 0.00 2.65 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 25 K 8.29 3.85 0.00 1.85 1.85 0.00 1.10 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.25 0.00 0.00 0.00 0.00 1.35 1.37 7.81 26 T 7.92 4.48 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 1.24 0.00 0.00 27 T 7.62 4.95 4.22 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 0.00 0.00 1.20 0.00 0.00 28 A 8.63 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.32 5.01 4.24 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 1.23 0.00 0.00 30 D 9.09 5.16 0.00 2.71 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.59 3.79 1.86 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 -0.36 0.91 0.00 0.00 32 K 8.33 4.34 0.00 1.88 1.79 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.35 7.81 33 G 8.54 3.82 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 0.00 0.00 0.00 34 K 8.91 4.42 0.00 1.84 1.98 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.42 7.81 35 E 8.78 4.67 0.00 2.00 1.84 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 2.28 2.36 0.00 36 V 9.07 4.62 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 0.80 0.00 0.00 0.91 0.00 0.00 37 M 8.50 4.95 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 38 V 8.67 4.58 2.33 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 0.87 0.00 0.00 0.88 0.00 0.00 39 L 8.26 4.05 0.00 1.61 1.55 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.47 3.73 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 0.00 0.00 0.00 41 E 7.88 5.05 0.00 1.80 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 2.31 2.27 0.00 42 V 9.17 4.73 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 0.67 0.00 0.00 1.17 0.00 0.00 43 N 8.75 5.98 0.00 2.69 2.80 0.00 0.00 6.22 7.81 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 44 I 8.51 4.52 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.04 0.97 0.00 0.00 45 N 8.23 4.89 0.00 2.74 2.77 0.00 0.00 6.93 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 46 N 8.40 4.26 0.00 2.87 2.91 0.00 0.00 6.59 7.23 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 47 S 7.91 4.45 0.00 3.73 3.42 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 0.00 0.00 0.00 0.00 48 V 8.11 4.77 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 0.65 0.00 0.00 0.81 0.00 0.00 49 F 9.42 5.02 0.00 2.95 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 50 K 8.72 4.54 0.00 1.69 1.15 0.00 1.67 0.00 0.00 1.31 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.09 1.34 7.81 51 Q 8.18 4.28 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 52 Y 8.29 5.26 0.00 2.82 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 53 F 9.64 5.06 0.00 3.03 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 54 F 9.12 4.08 0.00 1.90 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 55 E 8.36 4.75 0.00 1.74 1.63 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 2.14 2.23 0.00 56 T 8.17 4.86 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 1.14 0.00 0.00 57 K 8.83 4.67 0.00 1.60 1.63 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.29 7.81 58 C 8.30 5.00 0.00 2.83 3.06 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 59 R 8.09 4.35 0.00 1.78 1.91 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 60 D 8.04 4.64 0.00 2.83 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 *67 G 8.48 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 0.00 0.00 0.00 68 C 7.54 4.69 0.00 3.07 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 69 R 8.82 4.29 0.00 1.70 1.71 0.00 2.88 0.00 0.00 2.62 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 70 G 8.74 4.08 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 0.00 0.00 0.00 71 I 6.96 3.90 1.85 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 1.25 0.90 0.95 0.00 0.00 72 D 8.44 4.70 0.00 2.95 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 73 S 8.57 4.29 0.00 3.92 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 74 K 8.24 3.69 0.00 1.66 1.83 0.00 1.69 0.00 0.00 1.39 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 1.39 7.81 75 H 8.37 4.64 0.00 2.92 2.41 0.00 5.63 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 7.82 5.53 0.00 3.19 3.11 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 77 N 9.65 5.23 0.00 2.82 2.82 0.00 0.00 6.64 7.59 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 78 S 8.76 5.66 0.00 3.79 3.82 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 79 Y 8.12 4.97 0.00 2.99 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 80 C 8.81 5.17 0.00 2.89 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 81 T 8.95 4.89 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 1.25 0.00 0.00 82 T 8.45 4.96 4.20 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 1.17 0.00 0.00 83 T 8.78 4.34 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 1.13 0.00 0.00 84 H 8.25 5.27 0.00 2.74 3.05 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.47 4.39 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 1.23 0.00 0.00 86 F 8.58 5.64 0.00 2.92 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 87 V 9.16 4.91 2.39 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 1.40 0.00 0.00 1.17 0.00 0.00 88 K 9.12 4.65 0.00 1.49 1.61 0.00 1.43 0.00 0.00 1.29 0.00 0.00 2.47 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.29 0.62 7.81 89 A 9.25 5.32 1.60 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 90 L 9.86 3.72 0.00 0.27 1.13 -0.29 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 91 T 9.16 4.75 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 1.22 0.00 0.00 92 M 7.91 4.49 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 93 D 8.09 4.41 0.00 2.63 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 94 G 8.75 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 3.94 0.00 1.74 1.67 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 Q 8.00 4.49 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 97 A 8.29 4.79 1.06 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 98 A 10.13 4.60 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 99 W 8.61 5.16 0.00 3.13 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 0.00 100 R 8.90 4.71 0.00 1.74 1.81 0.00 3.11 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 101 F 8.72 5.14 0.00 3.01 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 0.00 102 I 9.18 4.87 1.86 0.00 0.00 0.45 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 0.66 0.93 0.00 0.00 103 R 8.89 4.82 0.00 2.10 2.04 0.00 3.12 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.00 104 I 8.46 4.65 1.94 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 1.25 0.75 0.74 0.00 0.00 105 D 8.97 4.85 0.00 2.70 2.56 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 0.00 106 T 8.61 4.58 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 1.14 0.00 0.00 107 A 6.98 4.35 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 0.00 108 C 8.80 5.37 0.00 2.90 2.90 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 0.00 109 V 8.94 4.62 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 0.54 0.00 0.00 0.83 0.00 0.00 110 C 8.55 4.98 0.00 2.88 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 0.00 111 V 8.01 4.31 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 0.00 0.00 0.83 0.00 0.00 0.59 0.00 0.00 112 L 8.35 5.20 0.00 1.37 1.56 0.81 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.05 4.65 0.00 4.01 3.81 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 0.00 114 R 8.98 4.21 0.00 1.88 1.78 0.00 2.93 0.00 0.00 2.82 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.00 115 K 8.74 4.21 0.00 1.74 1.66 0.00 1.99 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.