NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9959 8.1832 117.6177 52.7129 38.3983 174.2778 2 F 4.8622 8.4411 115.3996 59.5140 38.4829 176.8570 3 F 4.4978 11.3800 118.9656 60.5636 39.4448 177.0788 4 Q 4.1678 8.3567 117.2265 58.8689 28.6277 177.8300 5 F 4.6501 8.8084 122.9048 60.9682 39.2954 177.1741 6 A 3.8656 7.8716 118.7138 55.1632 18.0309 179.3775 7 E 4.0047 8.5366 117.0235 59.0452 29.2614 179.4130 8 M 3.9626 7.6468 118.0777 58.3378 32.6242 177.9661 9 I 3.6254 7.7943 120.1102 64.6006 37.2516 178.3897 10 V 3.8273 8.0996 120.2800 65.3676 31.0060 178.2405 11 K 3.8698 7.4558 117.3323 58.5234 32.7484 178.6057 12 M 4.0147 8.6870 121.0355 56.7617 31.0356 177.7910 13 T 3.8271 8.8851 118.8315 64.0866 69.2100 174.0288 14 G 4.4550 7.8132 110.0425 45.0828 0.0000 173.2020 *16 K 3.9102 7.4809 118.1341 55.7014 33.0482 174.1467 17 E 3.5228 8.5014 121.9222 56.6479 29.7683 177.2849 18 A 4.1529 8.7369 127.2284 55.1051 19.0144 178.0812 19 V 3.7065 7.4466 107.0475 62.5683 32.1095 174.1151 20 H 4.0696 8.5618 122.1599 57.3537 29.2579 176.6118 21 S 4.1872 7.7620 114.1077 61.0228 62.5021 174.7584 22 Y 5.0151 7.4401 113.2054 57.3991 39.8155 176.7621 23 A 4.1190 8.5742 126.4332 54.9356 18.6640 177.8598 24 I 4.5666 7.6659 110.3012 61.1191 40.0729 171.9291 25 Y 4.8944 8.4089 127.7243 57.5028 42.2199 175.1710 26 G 3.9560 7.5162 113.8646 46.4683 0.0000 173.3566 27 C 4.7403 9.8194 117.9288 56.9188 41.5084 174.8960 28 Y 4.6741 7.9605 115.8439 58.9163 41.8176 176.9550 29 C 4.4237 8.7450 110.6123 58.5300 40.8607 175.9263 30 G 4.4304 5.9725 109.8537 48.6158 0.0000 176.5320 31 W 4.7894 9.7204 119.5463 54.8769 29.5561 176.5145 32 G 4.1461 8.1566 117.4336 45.0491 0.0000 171.9168 33 G 3.9769 8.8602 114.8172 45.0387 0.0000 172.7039 34 Q 4.7713 7.3320 118.3200 55.5878 31.3730 174.7693 35 G 4.1750 8.4056 105.8617 45.6386 0.0000 171.4281 36 K 4.7462 8.1889 118.1783 53.3344 34.6095 174.1860 37 P 4.2953 0.0000 0.0000 63.3870 30.5640 175.4860 38 Q 3.7111 8.0625 123.1021 56.9091 28.8565 178.3519 39 D 5.0901 7.2933 118.2181 51.8425 42.4577 176.6505 40 A 4.4075 8.6409 120.3343 53.8710 18.7227 178.5470 41 T 4.3532 8.0601 115.7853 65.0775 69.7116 175.9757 42 D 4.7313 8.1520 117.9995 55.9749 41.3105 177.9918 43 R 4.3446 7.9741 117.7670 59.2724 29.8733 179.0020 44 C 4.3261 7.9086 115.6356 59.7093 41.0148 175.0421 45 C 3.9203 8.1483 117.7069 59.0816 35.0298 175.4877 46 F 4.2706 7.7564 121.2462 61.0145 38.9239 177.7048 47 V 3.3775 8.1443 117.9341 65.5611 31.2604 177.2061 48 H 4.1243 7.5408 117.6668 58.3917 29.6013 176.9050 49 D 4.0812 7.7181 119.9994 57.6501 41.0486 177.7440 50 C 4.2001 7.6458 116.6147 59.9060 40.2243 175.5257 51 C 4.1536 7.4229 119.6683 59.9010 43.1415 175.0177 52 Y 4.2050 7.7148 115.4362 59.7439 37.3917 177.8664 53 G 3.8598 8.0025 106.9956 46.3939 0.0000 174.6378 54 T 4.3025 7.5368 108.8319 61.5418 69.5401 175.8579 55 V 4.1913 7.1653 122.3853 62.1477 30.1407 175.3803 56 N 4.3339 7.5842 119.1226 55.5071 39.3212 176.9068 *58 D 4.5591 7.9372 116.2972 53.2586 43.0496 173.1097 59 C 4.5977 7.1545 109.7518 55.7256 40.6596 171.5024 *61 N 4.6844 7.8311 116.5019 53.5702 38.6317 172.9184 *68 P 3.8358 0.0000 0.0000 62.1823 33.5212 177.2772 69 K 4.0695 7.0513 118.9096 53.4808 30.5876 173.3916 70 M 4.2624 7.1299 124.5723 56.0869 38.2403 174.9750 71 A 4.0414 7.8208 120.8810 52.2757 18.9679 177.1729 72 T 4.2315 8.3374 119.5160 62.2389 68.4028 174.0491 73 Y 4.7533 7.9378 125.7405 55.8756 40.4203 174.5265 74 S 5.1203 9.7072 114.0744 56.9059 65.1659 171.9617 75 Y 5.5731 7.8206 124.5515 57.8631 42.6531 173.5667 76 S 4.4711 8.2968 114.2872 58.6145 64.7485 176.4193 77 F 5.9648 8.1064 120.1236 55.4464 37.4181 174.3831 78 E 3.7868 8.1029 121.0751 57.1547 29.5609 176.6622 79 N 3.9335 9.4367 124.8440 54.3700 37.2369 173.7755 80 G 2.5341 7.3958 101.3106 45.2557 0.0000 171.8115 81 D 4.7212 6.0500 116.1193 52.8325 45.5222 174.5901 82 I 4.8033 8.7098 126.9018 61.5637 38.3149 176.4131 83 V 4.3150 9.2325 126.4610 60.8534 32.5079 172.1927 84 C 5.4253 8.2646 121.6339 55.6523 38.4435 174.3787 85 G 3.8721 8.1333 119.2882 45.4680 0.0000 170.5925 86 D 4.8854 7.5860 118.0269 52.4494 44.0821 177.4492 *88 N 5.2271 8.4096 117.8712 53.2808 40.3537 174.3888 89 N 4.5145 7.7921 116.4010 53.6898 40.1006 175.2672 90 L 3.9434 8.5132 125.9745 58.4102 42.7068 179.7326 91 C 4.2177 8.1974 116.4128 60.1104 44.9958 174.5856 92 L 3.9338 8.0439 119.8419 57.6970 41.1200 178.9196 93 K 3.7453 7.9516 117.8567 60.5357 32.2930 178.9884 94 T 3.8928 7.4528 114.8076 66.7161 68.0033 176.7229 95 V 3.5096 7.7122 119.9778 65.5009 31.2328 176.6107 96 C 3.2774 8.1044 117.3836 57.4034 40.0368 174.6055 97 E 4.0268 7.7426 119.6667 59.2054 29.5903 177.2734 98 C 4.1033 8.0225 116.0336 60.3767 37.2348 175.5797 99 D 4.3144 7.6803 118.6793 57.8218 40.3548 178.8232 100 R 3.9443 7.6514 118.3518 59.3608 30.0740 178.1106 101 A 3.9949 8.7038 120.2955 55.3363 18.4927 179.3573 102 A 3.9563 8.3996 119.1156 55.2881 18.3464 179.7151 103 A 3.8486 8.2087 119.1283 55.3005 18.2565 179.8406 104 I 3.6263 7.2656 117.0301 64.9868 37.4637 177.1992 105 C 4.1413 8.2884 118.9097 59.9640 43.0657 175.2890 106 L 3.9125 8.1757 119.9872 58.2697 41.2031 180.0190 107 G 3.7945 8.1143 104.1937 47.9935 0.0000 174.9358 108 Q 4.3068 8.1962 119.1956 57.3604 28.9011 176.6678 109 N 5.2233 7.9223 118.6625 52.5994 39.5873 177.5265 110 V 3.8363 7.8072 116.4989 63.5791 32.4452 178.2797 111 N 4.5427 8.3421 117.1312 55.5265 36.9117 175.8280 112 T 4.4159 7.3073 111.2700 61.6100 67.4922 173.2144 113 Y 4.2985 9.1491 122.5173 56.3404 38.0885 174.3128 114 D 4.4496 8.1063 128.8457 52.6209 41.7304 176.5638 115 K 4.0162 8.4359 126.8676 59.5187 33.0751 178.6490 116 N 4.0775 8.0497 116.2955 56.0714 37.0687 175.4199 117 Y 2.9932 6.7007 112.4834 58.2521 37.6739 175.3663 118 E 4.2915 7.8887 121.6007 57.2543 30.2395 176.6549 119 N 4.1207 8.2518 121.3154 54.2981 35.8622 173.7188 120 Y 4.5034 7.6121 117.9365 54.7449 38.9654 174.6778 121 A 3.9998 8.2019 129.4777 51.4944 19.0883 176.8279 122 I 3.8084 7.9063 112.8533 60.3898 37.3135 175.5898 *124 S 4.3408 8.5779 120.4355 58.5005 63.7630 174.4960 125 H 4.6616 7.3662 112.7653 56.4334 28.4219 175.2453 126 C 4.9814 8.0543 113.6321 56.2201 42.9519 175.5286 127 T 3.5880 7.3781 110.8828 64.3462 67.9160 174.4615 128 E 4.1679 7.8093 120.9577 55.8512 30.0584 174.9403 129 E 4.2007 8.4501 120.2622 56.7030 30.1983 176.9929 130 S 5.1894 8.3399 122.1102 57.9981 63.7254 174.0844 131 E 4.5468 8.5985 124.1859 56.0660 30.6797 175.9863 132 Q 4.6900 8.4619 117.8050 54.3795 31.3513 176.1876 133 C 4.0452 9.1712 119.4153 57.5139 41.2701 173.6750 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 1 N 8.18 5.00 0.00 2.92 3.18 0.00 0.00 6.14 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 2 F 8.44 4.86 0.00 3.05 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 3 F 11.38 4.50 0.00 3.40 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 4 Q 8.36 4.17 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 5 F 8.81 4.65 0.00 3.46 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 6 A 7.87 3.87 1.42 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 0.00 0.00 7 E 8.54 4.00 0.00 2.24 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 0.00 2.37 2.58 0.00 8 M 7.65 3.96 0.00 1.99 2.34 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.80 0.00 9 I 7.79 3.63 1.62 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.03 0.87 0.00 0.00 10 V 8.10 3.83 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 1.09 0.00 0.00 0.90 0.00 0.00 11 K 7.46 3.87 0.00 0.94 1.60 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.08 7.81 12 M 8.69 4.01 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.83 0.00 13 T 8.89 3.83 4.18 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 1.20 0.00 0.00 14 G 7.81 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.48 3.91 0.00 1.74 1.61 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.30 7.81 17 E 8.50 3.52 0.00 1.86 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 2.26 2.37 0.00 18 A 8.74 4.15 1.21 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 0.00 0.00 19 V 7.45 3.71 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 0.72 0.00 0.00 0.92 0.00 0.00 20 H 8.56 4.07 0.00 3.31 3.24 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.76 4.19 0.00 3.43 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 22 Y 7.44 5.02 0.00 3.09 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 23 A 8.57 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 24 I 7.67 4.57 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.98 0.00 0.00 25 Y 8.41 4.89 0.00 3.16 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 26 G 7.52 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 0.00 0.00 0.00 27 C 9.82 4.74 0.00 2.28 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 28 Y 7.96 4.67 0.00 3.09 3.18 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 29 C 8.75 4.42 0.00 3.50 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 30 G 5.97 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 31 W 9.72 4.79 0.00 3.24 3.30 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 0.00 32 G 8.16 4.15 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 0.00 0.00 0.00 33 G 8.86 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 34 Q 7.33 4.77 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.04 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 35 G 8.41 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 36 K 8.19 4.75 0.00 1.65 1.72 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.59 1.44 7.81 37 P 0.00 4.30 0.00 2.22 2.26 0.00 3.71 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 2.00 1.96 0.00 38 Q 8.06 3.71 0.00 1.11 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 39 D 7.29 5.09 0.00 2.95 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 40 A 8.64 4.41 1.36 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 41 T 8.06 4.35 4.55 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 1.41 0.00 0.00 42 D 8.15 4.73 0.00 2.96 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 43 R 7.97 4.34 0.00 1.97 2.03 0.00 3.25 0.00 0.00 3.42 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 44 C 7.91 4.33 0.00 3.01 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 45 C 8.15 3.92 0.00 3.29 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 46 F 7.76 4.27 0.00 2.85 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 47 V 8.14 3.38 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 0.86 0.00 0.00 0.99 0.00 0.00 48 H 7.54 4.12 0.00 3.08 3.34 0.00 5.64 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 49 D 7.72 4.08 0.00 2.61 2.68 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 0.00 0.00 0.00 0.00 50 C 7.65 4.20 0.00 2.61 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 51 C 7.42 4.15 0.00 3.20 3.13 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 Y 7.71 4.21 0.00 2.96 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 53 G 8.00 3.86 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 0.00 0.00 0.00 54 T 7.54 4.30 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 1.16 0.00 0.00 55 V 7.17 4.19 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 0.72 0.00 0.00 0.86 0.00 0.00 56 N 7.58 4.33 0.00 2.76 2.81 0.00 0.00 6.58 8.08 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 *58 D 7.94 4.56 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.15 4.60 0.00 3.12 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 *61 N 7.83 4.68 0.00 2.76 2.70 0.00 0.00 7.66 7.71 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 *68 P 0.00 3.84 0.00 1.28 0.49 0.00 3.62 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 1.80 1.64 0.00 69 K 7.05 4.07 0.00 0.88 1.34 0.00 1.18 0.00 0.00 1.35 0.00 0.00 2.77 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.96 0.29 7.81 70 M 7.13 4.26 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 71 A 7.82 4.04 1.25 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 0.00 0.00 72 T 8.34 4.23 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 1.18 0.00 0.00 73 Y 7.94 4.75 0.00 3.26 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 74 S 9.71 5.12 0.00 3.94 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 75 Y 7.82 5.57 0.00 3.15 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 76 S 8.30 4.47 0.00 4.06 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 77 F 8.11 5.96 0.00 2.96 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 78 E 8.10 3.79 0.00 2.05 1.89 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 2.40 2.33 0.00 79 N 9.44 3.93 0.00 2.67 2.66 0.00 0.00 7.25 7.98 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 80 G 7.40 2.53 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 0.00 81 D 6.05 4.72 0.00 2.72 2.52 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 82 I 8.71 4.80 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 1.05 0.00 0.00 83 V 9.23 4.32 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 1.03 0.00 0.00 1.05 0.00 0.00 84 C 8.26 5.43 0.00 2.92 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 85 G 8.13 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 86 D 7.59 4.89 0.00 2.73 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 *88 N 8.41 5.23 0.00 2.72 2.89 0.00 0.00 7.30 7.79 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 89 N 7.79 4.51 0.00 2.85 2.68 0.00 0.00 6.85 6.66 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 90 L 8.51 3.94 0.00 1.70 1.62 0.90 0.80 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 91 C 8.20 4.22 0.00 3.17 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 92 L 8.04 3.93 0.00 1.75 1.92 0.96 0.88 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 93 K 7.95 3.75 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.50 7.81 94 T 7.45 3.89 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 1.15 0.00 0.00 95 V 7.71 3.51 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 0.81 0.00 0.00 0.79 0.00 0.00 96 C 8.10 3.28 0.00 2.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 4.03 0.00 2.14 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 2.39 2.43 0.00 98 C 8.02 4.10 0.00 3.03 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 99 D 7.68 4.31 0.00 2.81 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 0.00 100 R 7.65 3.94 0.00 2.02 2.06 0.00 3.09 0.00 0.00 3.42 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 101 A 8.70 3.99 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 0.00 102 A 8.40 3.96 1.54 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 0.00 0.00 103 A 8.21 3.85 1.43 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 0.00 104 I 7.27 3.63 2.07 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 0.74 0.96 0.00 0.00 105 C 8.29 4.14 0.00 2.99 3.22 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 0.00 106 L 8.18 3.91 0.00 1.71 1.46 0.36 0.27 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 0.00 107 G 8.11 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 0.00 0.00 0.00 108 Q 8.20 4.31 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.40 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 109 N 7.92 5.22 0.00 2.78 2.87 0.00 0.00 6.98 7.22 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 0.00 110 V 7.81 3.84 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 0.77 0.00 0.00 0.96 0.00 0.00 111 N 8.34 4.54 0.00 2.89 3.13 0.00 0.00 5.76 7.22 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 0.00 112 T 7.31 4.42 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 1.32 0.00 0.00 113 Y 9.15 4.30 0.00 2.90 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 0.00 114 D 8.11 4.45 0.00 2.31 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 0.00 115 K 8.44 4.02 0.00 2.12 2.02 0.00 1.55 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.39 7.81 116 N 8.05 4.08 0.00 2.68 2.84 0.00 0.00 6.05 7.55 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 0.00 117 Y 6.70 2.99 0.00 1.43 1.68 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 0.00 0.00 0.00 0.00 118 E 7.89 4.29 0.00 2.02 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 2.65 2.55 0.00 119 N 8.25 4.12 0.00 2.84 2.86 0.00 0.00 6.85 8.09 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 0.00 120 Y 7.61 4.50 0.00 2.82 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 0.00 121 A 8.20 4.00 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 0.00 122 I 7.91 3.81 1.83 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 1.27 0.60 0.89 0.00 0.00 *124 S 8.58 4.34 0.00 3.81 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 0.00 125 H 7.37 4.66 0.00 3.02 2.86 0.00 5.68 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.05 4.98 0.00 2.83 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 0.00 127 T 7.38 3.59 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 1.18 0.00 0.00 128 E 7.81 4.17 0.00 2.06 1.94 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 2.38 2.34 0.00 129 E 8.45 4.20 0.00 1.92 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 2.30 2.34 0.00 130 S 8.34 5.19 0.00 3.84 3.85 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 0.00 131 E 8.60 4.55 0.00 1.43 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 2.23 0.00 132 Q 8.46 4.69 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 133 C 9.17 4.05 0.00 2.91 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 * Residues marked with a * may have inaccurate shift predictions.