NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 L 4.3550 8.0433 120.6284 54.5579 44.1041 178.6926 32 E 3.8925 8.0976 118.4406 58.8698 29.3385 174.9652 33 E 3.8971 8.5056 118.5874 59.6610 29.4446 178.3859 34 Q 3.9684 8.1653 118.9909 59.2941 28.8605 179.2016 35 L 3.9555 7.3908 120.3898 58.2960 42.2949 178.5081 36 N 4.3000 8.2711 116.4983 56.2448 38.4298 177.4047 37 K 3.9878 8.0177 120.6299 59.3477 32.4077 178.8418 38 S 4.1121 7.7946 112.8646 61.0909 62.2482 175.8520 39 L 3.9137 8.0456 123.1305 58.1191 41.9397 178.9046 40 K 3.8634 7.9754 118.2501 60.0879 31.8551 179.1683 41 T 3.8917 8.0541 114.6128 66.9604 68.5479 176.3260 42 I 3.8483 7.6807 120.9480 64.2295 37.1383 178.0846 43 A 3.9681 7.9712 121.6700 55.4377 17.9238 179.2966 44 S 4.5338 7.7319 109.1320 59.2317 62.7694 174.0374 45 Q 4.4770 7.5602 119.5963 57.1514 30.8302 177.8440 46 K 3.6085 8.9250 118.3879 59.9315 32.3073 178.4618 47 A 4.1870 8.2794 120.9536 54.0324 18.3729 178.8745 48 A 3.9345 7.8037 119.5333 55.2015 18.5388 179.1606 49 I 3.6736 8.9171 117.9030 64.8593 37.1597 178.2627 50 E 3.8477 7.9137 119.3247 59.5913 29.6407 178.6413 51 N 4.2987 8.1625 116.3068 56.9482 38.6324 176.6277 52 Y 4.0805 7.8595 119.7597 60.7498 38.9649 178.2418 53 N 4.3207 8.7133 117.7897 56.4767 38.5456 177.2334 54 Q 3.9730 9.2655 119.6143 58.9170 29.2955 177.8342 55 L 4.0349 8.3572 121.8351 57.9817 42.1585 178.7293 56 K 3.3618 8.0001 119.4802 58.7893 31.7270 177.6567 57 E 4.0995 7.7156 117.6403 58.2756 29.8013 177.0678 58 D 4.6206 8.7200 119.2993 56.1040 41.4533 178.0854 59 Y 4.1239 7.8570 119.8777 60.8855 38.7285 177.5796 60 N 4.1414 7.7889 116.0246 56.7407 38.7952 176.9368 61 T 3.8979 7.5387 117.7478 66.1439 68.4560 176.2158 62 L 3.8795 7.7389 119.9242 58.1013 41.8219 179.4503 63 K 3.6854 7.5847 119.0592 59.5927 31.8464 179.0335 64 R 3.9386 7.7717 118.0881 59.1579 29.9731 178.5615 65 E 3.8976 8.0783 117.8420 59.5997 29.4576 179.1612 66 L 3.4948 8.2366 120.1520 57.8915 41.8064 178.8411 67 S 4.1422 7.5080 112.0337 61.5434 62.4332 175.7947 68 D 4.7370 8.3208 122.8525 56.3723 40.4315 178.9905 69 R 3.8618 8.6871 120.6587 59.5057 30.2214 177.8823 70 D 4.5100 7.8741 117.1997 55.9984 40.7391 177.7835 71 D 4.5630 7.8219 119.8369 56.2591 41.2018 178.0257 72 E 4.0189 8.4211 120.2448 58.6137 29.6955 178.7163 73 V 3.5846 8.0301 118.7898 65.7047 31.4611 178.0039 74 K 3.8659 7.6990 116.7627 59.6517 31.8971 179.0392 75 R 3.8875 7.6368 118.1325 59.7129 30.0799 179.0225 76 L 4.2231 7.9501 118.0608 57.8755 41.6103 179.4454 77 R 4.1395 8.3088 115.3754 57.8299 30.3248 177.5893 78 E 4.4561 7.9859 118.2415 57.3764 30.4481 177.7988 79 D 4.4600 7.5453 117.8230 57.1745 41.0473 178.8186 80 I 3.4541 7.8700 120.1352 64.1387 36.8889 178.0813 81 A 4.1665 7.9591 119.6983 53.7177 18.7058 178.2335 82 K 4.2857 7.4642 116.4413 57.3552 33.1332 177.8878 83 E 3.9884 8.8092 121.0317 58.9410 29.4861 177.3664 84 N 4.5847 8.2476 114.4885 54.6297 39.4609 175.6301 85 E 4.2153 7.8189 120.0445 59.5405 30.1358 177.8080 86 L 4.0096 7.8992 119.0073 57.8827 41.7678 179.6316 87 R 3.9838 8.2253 117.4568 58.8478 29.2996 179.0442 88 T 4.0407 7.7307 115.8946 65.8113 68.6379 176.3992 89 K 4.1635 7.8378 118.2942 57.2954 32.5805 178.7956 90 A 3.9887 8.0127 122.1386 55.1147 18.4956 179.3705 91 E 4.0662 7.9601 114.8988 58.6834 29.6169 178.8299 92 E 4.0966 7.6173 120.8250 58.9960 29.8952 177.9240 93 E 3.9335 8.2974 118.2161 59.6945 28.9475 179.5353 94 A 4.0482 8.0876 120.1414 54.3590 18.1867 178.0600 95 D 4.6031 8.1009 114.6528 54.6068 41.7752 176.9845 96 K 4.3189 7.9367 118.7785 57.9723 32.8134 177.5047 97 L 4.0575 7.7885 120.1510 58.4652 42.0071 177.2659 98 N 4.3125 7.6922 113.6838 55.7276 38.3433 176.6651 99 K 3.7774 8.0051 119.9293 60.2882 32.4307 178.3049 100 E 3.8484 7.9319 117.9775 60.5916 29.4566 179.6706 101 V 3.6092 8.5598 118.4183 65.3506 31.9001 177.5600 102 E 3.9380 8.6245 119.3454 59.5745 29.4657 178.7505 103 D 4.4271 8.6172 117.9000 56.4053 41.5448 177.9358 104 L 3.9412 7.8089 121.1037 58.5130 41.9240 178.9432 105 T 3.8885 8.6377 115.6581 66.5285 68.2481 176.3996 106 A 4.0113 7.8904 122.2303 55.4329 18.0098 179.6823 107 S 4.4735 8.2242 112.7507 60.7370 62.1461 175.7195 108 L 3.9607 7.6713 122.2195 58.5830 42.0813 178.1880 109 F 4.1294 8.3102 119.3500 62.4707 39.1045 177.2015 110 D 4.2957 8.3612 116.7751 57.8502 40.7574 179.4943 111 E 3.9528 8.3077 117.7457 59.3003 29.4634 179.3549 112 A 4.1454 7.9554 120.8551 55.0807 17.7972 179.2724 113 N 4.2275 7.8431 114.9450 55.9146 38.5209 177.1116 114 N 4.3564 8.4080 119.2521 56.2115 38.9090 177.0650 115 L 4.0442 7.7103 120.0664 57.8622 41.7705 179.4108 116 V 3.5335 7.3512 116.0525 65.3724 31.3598 177.3782 117 A 4.1909 7.4781 119.7854 55.2242 18.4598 178.3004 118 D 4.2765 8.5985 116.2698 57.2273 41.6816 177.7127 119 A 4.1186 8.6169 121.5942 55.3703 18.5944 178.9470 120 R 3.9877 7.4184 113.2311 58.8003 30.0614 177.3975 *122 E 4.3760 8.2296 117.7399 56.6546 31.6491 176.6518 123 K 4.1364 7.9968 122.9600 58.5732 32.7145 178.3316 124 Y 4.3993 8.1903 121.5099 59.9129 39.1353 176.9307 125 A 4.1147 8.0194 120.1380 54.1005 18.7686 179.0132 126 I 3.8901 7.7004 118.3120 63.4434 37.0352 177.5222 127 E 4.1537 7.7526 117.9487 58.2325 28.2402 178.9045 128 I 3.8323 7.4328 121.2474 63.8581 37.1401 177.2932 129 L 4.0749 7.7299 117.8379 55.7686 41.6108 177.7668 130 N 4.6424 7.8428 114.7695 53.7718 38.2657 176.0000 131 K 4.3532 7.6899 119.0134 56.6162 32.5831 177.8371 132 R 4.6015 7.3186 116.6433 57.2034 30.7329 177.1073 133 L 4.5130 7.5494 118.6069 55.6214 42.4763 176.6737 134 T 4.4983 7.5857 106.5155 62.4944 70.6830 175.2812 135 E 4.1117 7.5784 122.5149 57.8705 29.7829 177.3282 136 Q 4.4806 7.9282 116.3297 56.5251 29.1198 176.4613 137 L 4.5834 7.6205 117.1885 54.5810 42.2066 177.1835 138 R 4.3249 7.4531 117.5197 57.3014 30.8659 177.2998 139 E 4.3458 7.9857 115.2306 56.8350 30.6749 175.7826 140 K 4.1182 7.3966 124.4002 56.4751 32.1833 176.0954 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 31 L 8.04 4.35 0.00 1.72 1.79 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.10 3.89 0.00 2.09 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 2.40 2.46 0.00 33 E 8.51 3.90 0.00 2.00 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 2.38 0.00 34 Q 8.17 3.97 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 35 L 7.39 3.96 0.00 1.92 1.86 0.92 0.59 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 36 N 8.27 4.30 0.00 2.77 2.85 0.00 0.00 6.77 6.69 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 37 K 8.02 3.99 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 S 7.79 4.11 0.00 4.07 4.05 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 39 L 8.05 3.91 0.00 1.89 1.81 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.98 3.86 0.00 2.08 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 41 T 8.05 3.89 4.40 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 0.00 0.00 0.00 1.21 0.00 0.00 42 I 7.68 3.85 2.05 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 1.45 1.23 0.91 0.00 0.00 43 A 7.97 3.97 1.37 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 0.00 0.00 0.00 44 S 7.73 4.53 0.00 4.04 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 45 Q 7.56 4.48 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 46 K 8.93 3.61 0.00 1.96 2.22 0.00 1.20 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 47 A 8.28 4.19 1.37 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 0.00 0.00 0.00 48 A 7.80 3.93 1.39 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 0.00 0.00 0.00 49 I 8.92 3.67 1.90 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 1.56 0.81 0.99 0.00 0.00 50 E 7.91 3.85 0.00 2.32 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 0.00 2.33 2.42 0.00 51 N 8.16 4.30 0.00 3.06 2.91 0.00 0.00 6.74 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 52 Y 7.86 4.08 0.00 3.11 3.10 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 0.00 0.00 0.00 0.00 53 N 8.71 4.32 0.00 2.98 2.87 0.00 0.00 6.62 7.16 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 54 Q 9.27 3.97 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 55 L 8.36 4.03 0.00 1.69 1.52 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.00 3.36 0.00 1.26 1.74 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.25 7.81 57 E 7.72 4.10 0.00 2.21 2.11 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 2.30 2.34 0.00 58 D 8.72 4.62 0.00 2.92 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 Y 7.86 4.12 0.00 2.94 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 60 N 7.79 4.14 0.00 2.68 2.84 0.00 0.00 7.13 7.39 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 61 T 7.54 3.90 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 1.18 0.00 0.00 62 L 7.74 3.88 0.00 1.57 1.68 0.93 0.75 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 63 K 7.58 3.69 0.00 1.31 1.63 0.00 1.01 0.00 0.00 1.44 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.27 7.81 64 R 7.77 3.94 0.00 2.01 1.91 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 65 E 8.08 3.90 0.00 2.13 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 2.38 2.34 0.00 66 L 8.24 3.49 0.00 1.76 1.62 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.51 4.14 0.00 4.03 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 68 D 8.32 4.74 0.00 2.70 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 69 R 8.69 3.86 0.00 1.99 1.90 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 70 D 7.87 4.51 0.00 2.79 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 71 D 7.82 4.56 0.00 2.72 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 72 E 8.42 4.02 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 2.28 2.30 0.00 73 V 8.03 3.58 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 0.89 0.00 0.00 1.00 0.00 0.00 74 K 7.70 3.87 0.00 2.06 1.84 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.80 7.81 75 R 7.64 3.89 0.00 2.02 2.01 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 76 L 7.95 4.22 0.00 1.70 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.31 4.14 0.00 1.85 1.98 0.00 3.14 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 78 E 7.99 4.46 0.00 2.12 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 2.24 2.53 0.00 79 D 7.55 4.46 0.00 2.73 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 80 I 7.87 3.45 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 1.59 0.91 0.91 0.00 0.00 81 A 7.96 4.17 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 82 K 7.46 4.29 0.00 2.08 1.91 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 83 E 8.81 3.99 0.00 2.14 1.92 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 2.30 2.35 0.00 84 N 8.25 4.58 0.00 2.76 2.86 0.00 0.00 7.18 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 85 E 7.82 4.22 0.00 2.25 2.01 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 2.33 2.44 0.00 86 L 7.90 4.01 0.00 1.86 1.69 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.23 3.98 0.00 1.82 1.98 0.00 3.28 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 88 T 7.73 4.04 4.47 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 1.21 0.00 0.00 89 K 7.84 4.16 0.00 1.79 1.83 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.62 7.81 90 A 8.01 3.99 1.37 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 0.00 0.00 0.00 91 E 7.96 4.07 0.00 2.00 2.03 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 2.34 2.52 0.00 92 E 7.62 4.10 0.00 2.37 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 2.30 2.38 0.00 93 E 8.30 3.93 0.00 2.03 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 2.58 2.49 0.00 94 A 8.09 4.05 1.35 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 0.00 0.00 95 D 8.10 4.60 0.00 2.84 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 96 K 7.94 4.32 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.42 7.81 97 L 7.79 4.06 0.00 1.79 1.63 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.69 4.31 0.00 2.79 2.76 0.00 0.00 6.49 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 99 K 8.01 3.78 0.00 1.81 1.82 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.56 7.81 100 E 7.93 3.85 0.00 2.14 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 2.59 2.48 0.00 101 V 8.56 3.61 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 0.98 0.00 0.00 0.94 0.00 0.00 102 E 8.62 3.94 0.00 2.04 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 0.00 2.31 2.34 0.00 103 D 8.62 4.43 0.00 3.04 2.63 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 0.00 0.00 0.00 104 L 7.81 3.94 0.00 2.17 1.77 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.64 3.89 4.32 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 1.16 0.00 0.00 106 A 7.89 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 0.00 107 S 8.22 4.47 0.00 3.93 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 0.00 108 L 7.67 3.96 0.00 1.86 1.98 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.31 4.13 0.00 3.09 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 0.00 110 D 8.36 4.30 0.00 2.92 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 0.00 111 E 8.31 3.95 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 2.33 2.47 0.00 112 A 7.96 4.15 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 0.00 113 N 7.84 4.23 0.00 2.95 2.74 0.00 0.00 6.51 6.94 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 0.00 114 N 8.41 4.36 0.00 2.76 2.96 0.00 0.00 7.08 6.56 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 0.00 115 L 7.71 4.04 0.00 1.84 1.67 0.90 0.84 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 0.00 116 V 7.35 3.53 2.01 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 0.76 0.00 0.00 0.93 0.00 0.00 117 A 7.48 4.19 1.34 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 0.00 0.00 0.00 118 D 8.60 4.28 0.00 2.77 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 0.00 119 A 8.62 4.12 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 0.00 120 R 7.42 3.99 0.00 2.11 2.09 0.00 3.13 0.00 0.00 3.03 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 *122 E 8.23 4.38 0.00 2.37 1.82 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 2.28 2.41 0.00 123 K 8.00 4.14 0.00 2.00 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.47 7.81 124 Y 8.19 4.40 0.00 3.37 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 0.00 125 A 8.02 4.11 1.37 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 0.00 0.00 0.00 126 I 7.70 3.89 1.87 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 1.58 1.10 0.90 0.00 0.00 127 E 7.75 4.15 0.00 2.05 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 0.00 2.29 2.14 0.00 128 I 7.43 3.83 2.05 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 1.41 0.70 0.88 0.00 0.00 129 L 7.73 4.07 0.00 1.69 1.68 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.84 4.64 0.00 2.78 2.84 0.00 0.00 6.92 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 0.00 131 K 7.69 4.35 0.00 1.74 1.79 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.58 7.81 132 R 7.32 4.60 0.00 2.14 2.24 0.00 2.75 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 133 L 7.55 4.51 0.00 1.64 1.75 0.95 0.90 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 0.00 134 T 7.59 4.50 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 1.21 0.00 0.00 135 E 7.58 4.11 0.00 2.41 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 2.29 2.26 0.00 136 Q 7.93 4.48 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 137 L 7.62 4.58 0.00 1.78 1.66 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 138 R 7.45 4.32 0.00 1.97 1.97 0.00 3.14 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 139 E 7.99 4.35 0.00 1.94 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 2.24 2.27 0.00 140 K 7.40 4.12 0.00 1.85 1.72 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.