NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 G 3.9228 8.3549 109.7336 45.3061 0.0000 173.2436 22 D 4.6631 8.3536 126.1090 53.1557 42.0670 171.1901 23 V 4.5812 8.7979 114.2449 59.5931 36.5595 174.2698 24 V 4.9237 8.3581 122.5010 61.5593 33.6335 174.6122 25 T 4.7799 9.1154 121.1714 60.6702 71.1270 174.1608 26 R 4.3887 8.7095 123.6271 55.9796 30.9302 176.0777 27 D 4.6169 8.2377 120.0686 53.0365 40.6407 177.3237 28 V 3.7276 8.2392 121.2788 63.8087 31.8453 178.3717 29 N 4.4255 8.2001 116.6345 55.3277 38.3466 175.8440 30 K 4.2696 7.9065 116.2918 56.4208 32.6231 176.2196 31 L 4.0238 7.3916 121.8413 52.5386 43.3635 175.0212 32 P 4.2509 0.0000 0.0000 62.4705 33.2705 177.9624 33 V 3.5463 8.2358 120.3753 64.9935 31.0605 178.3876 34 A 4.0578 7.9084 119.8213 54.9108 18.2443 179.0204 35 A 3.6915 7.5015 117.8958 55.0419 18.6520 179.5025 36 R 3.9966 7.7495 116.5782 59.2994 30.1375 179.5269 37 E 4.3138 8.4031 115.6181 57.0934 29.1883 178.8855 *39 I 4.4398 7.7894 122.1167 61.5522 39.0762 178.4148 40 G 3.6879 8.3524 108.0114 47.8290 0.0000 174.2616 41 K 4.1554 7.9744 119.8153 57.6957 32.7506 176.7097 42 H 4.7169 8.1088 112.4104 55.6004 30.5498 174.0885 43 F 5.0510 8.0065 118.5514 55.4213 39.9343 177.1101 44 S 4.2162 8.4507 118.8072 61.6615 62.9719 176.1118 45 Q 4.2106 8.0667 116.7100 57.5359 29.2078 174.7341 46 T 4.8630 7.6896 112.8659 60.7993 70.2884 171.7270 47 K 4.7008 8.0445 117.5497 55.5234 36.4420 175.2584 48 V 3.8994 8.3096 120.8425 63.4550 31.4961 175.3086 49 A 4.4650 8.9800 131.2905 54.1229 19.2008 176.6582 50 Y 4.9755 6.9270 110.8096 56.4103 41.6416 172.9216 51 I 5.0920 9.1454 120.7545 59.5672 41.0029 174.4476 52 K 4.9343 9.5511 129.1294 55.1297 34.3008 174.9635 53 I 4.8688 9.0462 128.6223 59.4955 39.4575 174.4827 54 E 5.1708 8.8806 124.3939 54.5932 33.4607 174.2856 55 K 5.0423 8.4794 120.4444 54.9310 34.4975 176.4396 56 D 4.7374 8.7048 124.5726 51.7593 41.4471 176.8140 57 L 4.1328 8.1443 117.9407 57.7758 40.4803 177.4137 58 F 4.5582 8.0948 116.7688 57.1683 39.2289 175.7466 59 Q 3.7108 8.4912 118.8168 57.0049 26.6113 172.9574 60 T 4.5539 8.2355 115.2367 62.6694 70.2325 174.5260 61 T 4.6624 8.4568 122.9553 63.4924 69.5867 173.9934 62 S 4.8464 8.9095 119.1328 56.9245 67.6193 172.1727 63 Y 5.1401 9.1406 118.0104 56.3197 41.0818 174.2282 64 D 5.3268 9.4317 125.3008 52.7426 43.2938 174.7539 65 V 4.7982 9.2251 127.2788 61.0382 34.0773 174.0649 66 K 4.6237 8.2796 129.2625 54.7995 33.8714 175.2475 67 L 4.8850 8.5657 127.2601 53.1749 43.2929 177.8322 68 A 3.9015 8.9268 125.2715 54.9751 18.4146 178.4579 69 D 4.5981 7.6137 113.2659 53.3944 39.7418 177.3438 70 G 4.0098 8.1348 109.3214 45.3304 0.0000 174.5276 71 I 3.9462 7.6786 120.6650 61.5254 38.4398 174.8894 72 E 5.0328 8.7807 124.7909 54.5137 32.5709 175.0520 73 L 4.9549 8.8468 123.7133 52.7653 45.8864 175.2176 74 E 5.1633 8.7632 121.6817 54.6171 32.5832 175.1407 75 F 5.5252 9.5107 122.6108 55.6440 43.3573 175.5574 76 N 5.0981 9.1900 119.6993 52.0373 38.8480 175.8283 77 S 4.4375 8.6954 111.6804 60.8202 63.1053 174.8230 78 K 4.2908 8.4393 118.5250 55.9344 32.4410 176.9531 79 G 3.8068 8.4506 107.4372 45.5373 0.0000 173.2972 80 E 4.4641 8.6024 120.5072 54.7594 30.2031 176.4805 81 W 4.5939 8.9878 121.2035 56.7118 29.0774 175.4723 82 L 4.4812 9.3829 121.4215 55.8319 44.0126 176.2153 83 E 5.2221 7.9282 118.0760 54.7953 33.6068 174.0939 84 I 4.3330 9.1164 127.0294 59.5408 40.6643 174.0607 85 D 5.0099 8.9297 128.5911 52.6381 42.9797 175.5006 86 C 4.3683 9.2428 123.8352 58.9084 29.6064 176.8365 87 K 4.0045 8.8677 122.6100 57.1327 29.7446 176.1786 88 N 4.8366 9.1886 122.4526 53.4495 40.8224 174.6502 89 K 4.6824 7.7579 118.3460 54.0712 34.7905 175.6143 90 S 4.7849 8.3741 117.0694 58.7661 63.3482 174.8681 91 V 3.9339 8.6110 118.4192 60.5308 32.3170 174.5758 92 P 4.3693 0.0000 0.0000 62.8517 31.8439 177.8073 93 S 4.1273 8.8377 118.0653 61.3226 63.2115 176.3215 94 T 3.6161 7.5821 114.7381 64.6866 66.9916 174.5591 95 F 4.6009 7.6657 118.2656 58.5396 39.2967 175.3295 96 I 4.2703 7.5205 122.4533 58.9548 37.6445 174.5320 97 P 4.2831 0.0000 0.0000 62.4586 33.0941 176.9054 98 Q 3.9747 8.9593 122.9402 58.8236 28.8513 179.0218 99 A 4.0570 7.8854 121.0146 55.1264 18.2119 179.5874 100 I 3.3165 7.2580 117.3838 64.2745 37.6965 178.2815 101 S 4.2501 8.2382 115.4037 61.1420 62.8031 176.5353 102 K 4.1033 8.1245 123.3765 59.3718 32.0610 178.8092 103 Y 4.1073 7.6598 117.2032 58.1221 38.4122 177.1839 *105 K 4.2012 8.0531 120.8618 55.7935 33.9673 176.6912 106 A 4.1012 7.7271 120.3455 53.8689 18.5281 177.6716 107 N 4.4920 7.6337 110.9889 53.6529 40.8693 174.6743 108 Y 4.9371 7.3340 115.3760 56.8938 39.5148 174.2529 109 N 4.4129 8.4426 117.6322 55.7022 39.2269 174.5888 110 G 4.0452 9.0054 113.4775 45.6200 0.0000 173.2936 111 H 4.6082 7.9256 116.2870 55.6180 29.8921 175.0428 112 K 4.5080 9.8073 122.0695 55.4360 34.0940 175.9420 113 T 4.4843 8.5662 122.0476 63.4573 69.1411 175.4226 114 V 4.6881 8.8489 120.2258 60.9113 33.6875 175.9545 115 K 5.1030 7.8050 121.3046 54.7553 36.0164 174.4443 116 I 5.1572 8.8513 126.3613 59.2212 41.5931 173.4062 117 E 5.4807 9.4306 129.4211 54.3771 32.7882 174.5639 118 R 4.9527 8.9171 122.3294 54.6527 32.6569 174.5062 119 N 4.7162 8.5663 117.7750 51.7798 39.9777 174.7603 120 R 3.9111 8.4818 113.2980 58.4722 29.7615 177.0244 121 K 4.2984 10.2186 118.2540 55.9221 34.0133 174.9181 122 G 3.8686 6.1710 107.6640 44.5383 0.0000 172.1870 123 Y 5.2652 9.0143 120.8320 56.2134 42.3346 174.7592 124 E 5.1752 9.5691 122.0174 54.7852 33.4592 174.5049 125 L 5.2004 9.3084 125.3323 53.2744 44.6086 175.5708 126 T 5.0319 8.7878 120.4500 61.7959 71.0929 174.4347 127 L 4.9786 8.9641 127.2266 53.6135 43.0178 177.9661 128 E 3.9117 8.6983 118.8272 59.2145 29.3860 177.7456 129 N 4.5816 8.1684 114.4218 52.6026 37.7551 175.8271 130 G 3.9312 8.2071 108.2313 45.0411 0.0000 173.8027 131 L 4.0887 8.1577 123.1161 55.0457 43.4151 175.0370 132 E 5.1158 8.6988 126.5371 54.4681 32.0833 174.4127 133 V 4.6734 9.1512 126.9555 61.2783 34.3364 173.6252 134 D 5.4836 8.9333 128.2455 52.6686 43.2546 175.5760 135 F 5.2375 9.2136 121.2845 55.4780 43.5355 175.1247 136 D 5.3520 9.1365 121.0460 52.0267 40.6421 177.1456 137 Q 3.9165 8.2531 116.9959 58.2910 28.5298 177.3440 138 F 4.6972 8.3352 115.1802 57.0274 39.4265 176.5199 139 G 3.8992 8.5930 109.2354 45.6556 0.0000 173.7852 140 G 3.9633 8.3600 108.9178 44.1992 0.0000 173.7027 141 F 3.7012 8.9424 126.4697 58.4625 39.9024 173.5449 142 L 4.2781 7.1485 127.8594 54.4608 42.9248 176.5801 143 K 3.7585 5.8126 114.6314 56.4572 35.2322 172.5798 144 L 5.0816 8.5901 119.9856 53.6995 43.6067 175.9491 145 S 4.8495 9.1315 116.5862 56.6441 67.0084 173.7314 146 D 4.4387 8.3855 119.6420 53.4460 39.3913 175.3534 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 21 G 8.35 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 22 D 8.35 4.66 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.58 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 0.74 0.00 0.00 0.95 0.00 0.00 24 V 8.36 4.92 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 0.66 0.00 0.00 0.86 0.00 0.00 25 T 9.12 4.78 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 1.29 0.00 0.00 26 R 8.71 4.39 0.00 1.87 1.98 0.00 3.31 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 27 D 8.24 4.62 0.00 2.76 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 28 V 8.24 3.73 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 0.92 0.00 0.00 29 N 8.20 4.43 0.00 2.90 2.87 0.00 0.00 6.97 7.77 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 30 K 7.91 4.27 0.00 1.96 1.92 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 31 L 7.39 4.02 0.00 1.44 1.53 0.56 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.25 0.00 1.93 1.82 0.00 2.66 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 33 V 8.24 3.55 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 0.90 0.00 0.00 0.90 0.00 0.00 34 A 7.91 4.06 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 35 A 7.50 3.69 0.17 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 36 R 7.75 4.00 0.00 1.96 1.94 0.00 3.08 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 37 E 8.40 4.31 0.00 2.19 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 2.33 2.47 0.00 *39 I 7.79 4.44 2.06 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 1.48 1.03 1.00 0.00 0.00 40 G 8.35 3.69 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 0.00 0.00 0.00 41 K 7.97 4.16 0.00 1.74 1.76 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.86 1.23 7.81 42 H 8.11 4.72 0.00 3.19 2.94 0.00 5.70 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.01 5.05 0.00 3.26 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 44 S 8.45 4.22 0.00 3.84 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 45 Q 8.07 4.21 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 46 T 7.69 4.86 4.39 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 1.33 0.00 0.00 47 K 8.04 4.70 0.00 1.82 1.86 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.44 7.81 48 V 8.31 3.90 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 0.79 0.00 0.00 0.92 0.00 0.00 49 A 8.98 4.47 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 50 Y 6.93 4.98 0.00 3.16 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 51 I 9.15 5.09 2.00 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 1.17 0.89 1.15 0.00 0.00 52 K 9.55 4.93 0.00 1.89 1.76 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.56 7.81 53 I 9.05 4.87 1.85 0.00 0.00 1.00 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 0.98 0.67 0.00 0.00 54 E 8.88 5.17 0.00 2.07 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 2.12 2.23 0.00 55 K 8.48 5.04 0.00 1.58 1.74 0.00 1.86 0.00 0.00 1.90 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.32 7.81 56 D 8.70 4.74 0.00 2.91 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 57 L 8.14 4.13 0.00 1.50 1.65 -0.18 0.27 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 58 F 8.09 4.56 0.00 3.21 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 59 Q 8.49 3.71 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 60 T 8.24 4.55 4.64 0.00 0.00 0.00 0.00 0.00 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 61 T 8.46 4.66 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 0.76 0.00 0.00 62 S 8.91 4.85 0.00 4.01 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 63 Y 9.14 5.14 0.00 3.19 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 64 D 9.43 5.33 0.00 2.81 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 65 V 9.23 4.80 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 1.01 0.00 0.00 1.17 0.00 0.00 66 K 8.28 4.62 0.00 1.10 0.74 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.05 1.17 7.81 67 L 8.57 4.89 0.00 1.63 1.49 0.64 0.45 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 68 A 8.93 3.90 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 69 D 7.61 4.60 0.00 2.81 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 70 G 8.13 4.01 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 0.00 0.00 0.00 71 I 7.68 3.95 1.69 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 0.54 0.00 0.00 72 E 8.78 5.03 0.00 1.81 1.74 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 2.12 2.36 0.00 73 L 8.85 4.95 0.00 1.35 0.86 0.64 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.76 5.16 0.00 1.81 1.81 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 2.22 2.20 0.00 75 F 9.51 5.53 0.00 3.11 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 76 N 9.19 5.10 0.00 2.96 3.02 0.00 0.00 6.90 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 77 S 8.70 4.44 0.00 4.08 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 0.00 78 K 8.44 4.29 0.00 1.91 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.44 7.81 79 G 8.45 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 0.00 0.00 0.00 80 E 8.60 4.46 0.00 2.20 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 2.36 2.29 0.00 81 W 8.99 4.59 0.00 3.15 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 82 L 9.38 4.48 0.00 1.62 1.68 0.94 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 83 E 7.93 5.22 0.00 2.01 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 2.23 2.45 0.00 84 I 9.12 4.33 1.37 0.00 0.00 -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 0.26 -0.29 0.63 0.00 0.00 85 D 8.93 5.01 0.00 2.61 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 86 C 9.24 4.37 0.00 3.15 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 87 K 8.87 4.00 0.00 1.92 1.72 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.52 7.81 88 N 9.19 4.84 0.00 2.69 2.84 0.00 0.00 6.69 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 89 K 7.76 4.68 0.00 2.03 1.71 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.24 7.81 90 S 8.37 4.78 0.00 3.77 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 91 V 8.61 3.93 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 0.68 0.00 0.00 0.97 0.00 0.00 92 P 0.00 4.37 0.00 1.91 1.79 0.00 3.84 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 93 S 8.84 4.13 0.00 3.95 4.10 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 94 T 7.58 3.62 3.89 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 -0.17 0.00 0.00 95 F 7.67 4.60 0.00 3.07 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 96 I 7.52 4.27 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.58 0.82 0.00 0.00 97 P 0.00 4.28 0.00 1.82 1.80 0.00 3.20 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.87 0.00 98 Q 8.96 3.97 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 1.87 0.00 99 A 7.89 4.06 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 0.00 100 I 7.26 3.32 1.55 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.12 -0.03 0.00 0.00 101 S 8.24 4.25 0.00 4.03 4.09 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 0.00 0.00 0.00 102 K 8.12 4.10 0.00 1.95 2.10 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.46 7.81 103 Y 7.66 4.11 0.00 3.26 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 *105 K 8.05 4.20 0.00 1.84 2.05 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.49 7.81 106 A 7.73 4.10 1.19 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 0.00 0.00 107 N 7.63 4.49 0.00 2.13 1.75 0.00 0.00 6.76 6.91 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 0.00 108 Y 7.33 4.94 0.00 3.06 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 N 8.44 4.41 0.00 2.86 2.75 0.00 0.00 7.37 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 0.00 110 G 9.01 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 0.00 0.00 0.00 111 H 7.93 4.61 0.00 3.35 3.38 0.00 5.65 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.81 4.51 0.00 1.70 1.75 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 113 T 8.57 4.48 4.28 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 0.00 0.00 0.00 1.28 0.00 0.00 114 V 8.85 4.69 2.26 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 1.00 0.00 0.00 1.01 0.00 0.00 115 K 7.80 5.10 0.00 1.77 1.58 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.57 7.81 116 I 8.85 5.16 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.80 0.00 0.00 117 E 9.43 5.48 0.00 2.09 1.78 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 2.17 2.36 0.00 118 R 8.92 4.95 0.00 0.96 1.47 0.00 2.46 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.95 0.00 119 N 8.57 4.72 0.00 2.77 2.84 0.00 0.00 6.66 7.21 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 0.00 120 R 8.48 3.91 0.00 1.83 1.99 0.00 2.91 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 121 K 10.22 4.30 0.00 1.88 1.79 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.31 1.29 7.81 122 G 6.17 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 0.00 123 Y 9.01 5.27 0.00 3.07 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 0.00 124 E 9.57 5.18 0.00 1.90 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 2.62 2.29 0.00 125 L 9.31 5.20 0.00 1.80 1.66 1.04 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.79 5.03 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 1.21 0.00 0.00 127 L 8.96 4.98 0.00 1.65 1.57 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.70 3.91 0.00 2.12 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 2.35 2.43 0.00 129 N 8.17 4.58 0.00 2.86 3.01 0.00 0.00 6.20 7.00 0.00 0.00 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 G 8.21 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 0.00 131 L 8.16 4.09 0.00 1.80 1.50 0.93 0.36 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 0.00 132 E 8.70 5.12 0.00 2.07 1.80 0.00 0.00 0.00 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 2.25 0.00 133 V 9.15 4.67 2.34 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 1.21 0.00 0.00 0.81 0.00 0.00 134 D 8.93 5.48 0.00 2.41 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 0.00 0.00 0.00 0.00 135 F 9.21 5.24 0.00 3.07 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 0.00 136 D 9.14 5.35 0.00 2.87 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 0.00 137 Q 8.25 3.92 0.00 1.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 138 F 8.34 4.70 0.00 3.23 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 0.00 139 G 8.59 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 0.00 140 G 8.36 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 0.00 141 F 8.94 3.70 0.00 2.35 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 0.00 142 L 7.15 4.28 0.00 1.22 1.39 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 143 K 5.81 3.76 0.00 1.63 1.62 0.00 1.40 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.02 1.17 7.81 144 L 8.59 5.08 0.00 1.64 1.69 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.13 4.85 0.00 3.88 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 0.00 146 D 8.39 4.44 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.