NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9294 8.3544 109.7430 44.8330 0.0000 173.3424 3 I 4.0527 7.3531 119.9844 60.4928 39.1861 174.4773 4 C 4.1433 9.3296 123.4399 57.9215 37.7304 175.5237 5 R 3.8099 7.6850 118.3671 59.0710 29.0498 183.7100 6 N 4.6908 8.0604 112.0398 55.3718 38.8933 176.1056 7 R 3.9724 8.0082 118.4770 57.9552 30.3084 176.7878 8 V 3.8672 6.9273 116.2969 60.1837 30.3372 175.7968 9 T 4.0478 8.0055 121.8965 62.4225 68.2228 173.1853 10 N 4.8809 8.4546 121.0259 53.6225 38.5762 176.1238 11 N 4.6757 7.8425 117.8879 55.1258 38.6596 176.6664 12 V 3.7910 7.6783 120.7280 65.6262 31.4358 177.6926 13 K 4.1202 7.7599 117.1102 58.9123 31.8734 177.6261 14 D 4.7396 7.8232 118.6859 54.4477 40.8177 178.5918 15 V 3.3257 7.5346 122.6187 66.0463 31.5689 177.9556 16 T 3.7851 7.8686 109.1321 64.8952 68.2268 176.1904 17 K 3.8336 7.8412 120.6151 59.1407 32.0189 178.7096 18 L 3.7466 7.1929 119.4012 58.2658 42.0568 179.1787 19 V 3.6415 7.7435 118.9590 64.6121 31.2098 178.3384 20 A 4.0950 7.6840 120.3574 54.2561 18.1578 177.6392 21 N 4.7749 7.8511 113.5085 52.9950 38.6940 174.5174 22 L 4.7694 7.4484 118.9382 51.6736 44.1894 174.6305 23 P 4.2466 0.0000 0.0000 63.0990 31.1674 177.2356 24 K 4.0151 8.8494 123.7134 58.5886 32.1553 176.8215 25 D 4.7680 7.9077 115.6110 52.8117 40.1079 175.4514 26 Y 4.2920 8.5651 122.4142 57.8400 38.2226 174.5475 27 M 4.4754 8.2588 128.1601 54.7089 32.8661 176.2617 28 I 4.0486 8.8375 125.5488 60.5216 39.4472 174.8822 29 T 5.1971 8.1909 121.5740 62.0246 70.2517 173.8103 30 L 4.8317 9.3383 127.6805 52.1830 45.9758 175.7286 31 K 4.8468 8.6115 125.0633 54.7719 30.8428 173.8281 32 Y 4.1461 8.2979 122.8228 57.3535 39.3297 175.7645 33 V 3.6873 8.0058 128.1397 61.3589 31.9724 173.3940 34 P 3.9082 0.0000 0.0000 63.8415 31.7291 175.7052 35 G 3.9914 8.9527 105.8674 46.4375 0.0000 174.4779 36 M 3.2858 7.4324 118.0918 57.9805 30.6211 178.4803 37 D 4.1553 7.1273 116.4878 54.9697 39.0023 177.1614 38 V 3.9588 7.3000 119.6588 61.7275 32.3975 175.5594 39 L 4.8051 6.9723 120.8507 55.1439 44.5334 174.1910 40 P 4.9488 0.0000 0.0000 63.4104 29.4682 178.0586 41 S 4.0289 8.4242 108.9698 57.7656 64.4132 174.2271 42 H 4.6233 7.0479 112.9422 55.8958 29.6228 174.9272 43 C 4.5344 7.5424 116.9773 58.3364 35.4855 173.9446 44 W 4.6990 6.4345 114.4472 58.4549 30.0828 178.9454 45 I 3.3961 5.7739 118.0842 63.0900 38.9000 176.0414 46 S 4.0167 8.0843 113.0332 61.5943 61.9918 175.1338 47 E 3.8691 8.4168 120.7667 60.2586 29.4049 179.0931 48 M 4.0201 8.3328 117.9392 58.6108 31.8161 179.2416 49 V 3.6555 7.8343 118.8821 64.6361 31.8753 178.6144 50 V 3.7768 7.8850 119.9980 64.6535 31.2612 178.1051 51 Q 3.9688 8.4206 119.2050 58.7419 28.5674 178.7076 52 L 3.9860 8.2792 119.9716 58.2217 41.6642 179.9047 53 S 4.1299 7.8923 112.4542 61.9797 62.4243 174.9799 54 D 4.3549 8.3847 120.3967 58.0491 40.5813 178.4094 55 S 3.8781 7.9636 112.7840 61.8128 63.1334 176.5357 56 L 4.0526 9.0527 121.5747 58.6827 41.5174 179.8476 57 T 3.8949 8.2963 114.0014 67.0395 68.1219 176.0667 58 D 4.4819 8.2767 120.4165 57.3515 40.9145 178.3918 59 L 4.3284 7.9848 120.7581 58.6164 41.7857 179.0025 60 L 4.1500 8.0138 119.5013 57.7535 42.2928 178.1924 61 D 4.7581 9.6502 119.5744 55.6619 39.3123 178.1486 62 K 4.0985 7.8114 116.4128 57.0853 31.6484 176.2048 63 F 4.8028 8.2773 117.0268 55.9555 42.9908 173.8008 64 S 4.5499 8.3244 117.2093 56.2765 65.8303 173.5739 65 N 4.5063 8.0966 120.4351 53.2999 39.3281 174.1923 66 I 4.3838 8.2466 128.1339 59.8109 38.8203 175.4538 67 S 3.9574 8.4396 125.5543 61.7564 62.3343 171.2415 68 E 4.0745 8.1218 116.4127 57.1686 30.5045 178.6366 69 G 3.7374 8.8227 110.2091 43.4654 0.0000 171.9354 70 L 4.5070 8.0667 119.2923 52.9885 42.3984 177.3821 71 S 4.5217 8.2749 119.4024 57.8403 65.5940 174.7914 72 N 4.2863 8.5896 120.0845 55.9031 38.2800 176.9509 73 Y 3.8978 7.9105 121.2004 60.8330 38.9346 177.2417 74 S 3.8716 8.8237 113.9991 61.7135 62.3866 176.1395 75 I 3.5231 7.5624 121.2932 64.6647 36.8876 178.0686 76 I 3.5231 7.9040 120.3941 64.8406 36.9708 177.4115 77 D 4.1406 8.0376 118.2505 58.1174 40.8209 178.8589 78 K 4.0014 8.4082 118.5679 59.3940 32.1021 179.5102 79 L 4.0462 7.9283 119.5209 57.6413 41.5723 179.5356 80 V 3.5931 8.4042 118.7040 66.1497 31.5884 177.4960 81 N 4.2832 8.4956 116.5844 56.9345 38.3927 177.0683 82 I 3.6899 7.5895 120.4928 64.2928 37.3591 178.7112 83 V 3.6045 8.0569 113.3605 64.1993 31.4601 178.6113 84 D 4.3001 7.9064 118.4133 57.4615 40.8760 178.1610 85 D 4.4098 7.8963 118.9569 57.4648 40.6428 179.3559 86 L 3.8382 7.9874 119.2769 57.9275 41.4848 179.3311 87 V 3.5385 7.3590 116.5581 66.9401 31.5267 176.7204 88 E 4.1587 8.5573 119.6014 57.5301 29.3798 175.7728 89 C 3.9818 8.8963 114.3655 58.8967 42.9808 176.8248 90 V 3.7755 8.3692 123.1135 66.3886 30.9878 178.5186 91 K 4.5375 7.7507 119.7732 56.9864 31.5651 178.7426 92 E 4.8348 8.0064 118.8408 56.3767 31.4234 174.9816 93 N 4.8189 7.9315 113.4802 55.7138 40.8080 175.4880 94 S 4.0363 8.4189 111.3233 60.0551 62.5592 174.2143 95 S 3.3954 7.9893 111.1557 59.9687 59.2312 171.0665 *100 K 3.9775 7.8582 123.7832 54.0366 33.1158 175.0642 101 S 4.5181 8.5727 119.9914 56.8150 62.2060 175.3617 *102 F 4.2599 8.4505 127.5149 56.0398 35.6867 169.3938 103 K 4.4968 7.9889 125.9328 53.7827 33.0860 176.1055 104 S 4.4924 8.4597 123.0859 57.5757 63.4834 172.9371 105 P 4.4934 0.0000 0.0000 62.4322 31.8227 175.9364 106 E 4.4432 8.4294 119.7869 55.4801 30.2391 175.2240 107 P 4.7631 0.0000 0.0000 63.2340 32.4148 175.7047 108 R 4.8013 9.5232 120.3681 54.7258 34.9159 173.9756 109 L 5.2219 8.2259 120.7942 53.8625 43.7126 176.1023 110 F 4.8872 9.3314 120.4753 55.9534 44.0334 174.6943 111 T 4.4316 8.6608 112.8706 60.5615 69.5616 173.7027 112 P 4.5765 0.0000 0.0000 65.8197 31.0998 177.9572 113 E 4.1088 8.6162 120.0411 59.0120 29.5821 177.9838 114 E 3.9811 8.3321 117.9494 60.1016 29.6163 178.6157 115 F 3.5966 8.4689 119.6493 62.1414 39.2420 177.1167 116 F 4.0044 9.0320 116.8563 59.4852 38.7884 177.8545 117 R 3.9294 8.5019 119.6431 59.5053 29.8727 178.1654 118 I 3.5224 7.8402 119.7533 64.3412 37.1683 177.9764 119 F 3.7061 7.7448 121.4323 61.4668 38.9715 177.2971 120 N 4.2569 8.3209 114.4888 56.4702 38.8393 176.8544 121 R 4.0399 8.0303 119.9809 59.7814 30.0410 178.6471 122 S 4.3512 8.3077 115.0985 61.7410 62.6531 176.6872 123 I 3.5713 7.1280 120.6024 63.6346 36.9104 177.5320 124 D 4.6135 7.9640 118.8769 56.0271 40.6775 177.8375 125 A 4.2487 8.0296 120.3139 55.4686 18.9855 177.0836 126 F 4.6840 8.4467 117.3932 56.9748 41.1273 176.9363 127 K 4.1768 9.9413 121.0002 59.1240 30.6518 177.2427 128 D 4.6989 7.9834 117.8589 51.3616 41.3474 180.4104 129 F 4.7027 8.2962 123.0161 57.4386 40.8654 175.7266 130 V 3.8573 6.8989 120.7296 60.1671 33.5214 175.7924 131 V 3.8946 7.6182 121.3412 64.1808 31.5886 177.1516 *135 T 4.3251 7.9168 107.5130 60.0476 70.2686 177.9386 136 S 4.2664 8.0858 118.6044 61.7441 62.7131 175.0010 137 D 4.4908 8.0009 118.0746 56.5935 41.3176 177.7389 138 C 4.7497 7.5717 119.4900 57.5019 38.0465 174.5323 139 V 4.4186 7.6649 122.2638 60.6515 33.9436 176.6041 140 V 3.7914 8.6017 116.6544 64.9881 31.8782 171.4647 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 2 G 8.35 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 3 I 7.35 4.05 1.89 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 1.35 1.37 1.16 0.00 0.00 4 C 9.33 4.14 0.00 3.61 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.68 3.81 0.00 1.73 1.95 0.00 3.26 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 6 N 8.06 4.69 0.00 2.73 2.91 0.00 0.00 6.87 7.66 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 7 R 8.01 3.97 0.00 1.77 1.96 0.00 3.29 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 8 V 6.93 3.87 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 0.68 0.00 0.00 0.87 0.00 0.00 9 T 8.01 4.05 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 10 N 8.45 4.88 0.00 3.03 3.01 0.00 0.00 5.97 6.96 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 11 N 7.84 4.68 0.00 2.71 2.86 0.00 0.00 6.69 7.53 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 12 V 7.68 3.79 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 1.25 0.00 0.00 0.95 0.00 0.00 13 K 7.76 4.12 0.00 1.78 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.59 7.81 14 D 7.82 4.74 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.53 3.33 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 0.87 0.00 0.00 0.94 0.00 0.00 16 T 7.87 3.79 4.21 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 1.20 0.00 0.00 17 K 7.84 3.83 0.00 1.73 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.44 7.81 18 L 7.19 3.75 0.00 1.32 1.53 0.60 0.23 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 19 V 7.74 3.64 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 0.73 0.00 0.00 1.02 0.00 0.00 20 A 7.68 4.09 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 21 N 7.85 4.77 0.00 2.77 2.89 0.00 0.00 6.83 8.25 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 22 L 7.45 4.77 0.00 1.86 1.71 1.09 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.25 0.00 2.42 2.20 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.77 0.00 24 K 8.85 4.02 0.00 1.80 1.99 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.49 7.81 25 D 7.91 4.77 0.00 2.79 2.77 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 26 Y 8.57 4.29 0.00 2.88 3.09 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 27 M 8.26 4.48 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 28 I 8.84 4.05 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.41 0.17 0.00 0.00 29 T 8.19 5.20 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 1.26 0.00 0.00 30 L 9.34 4.83 0.00 1.36 1.24 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.61 4.85 0.00 1.85 1.80 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.48 7.81 32 Y 8.30 4.15 0.00 3.09 3.09 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 33 V 8.01 3.69 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 0.88 0.00 0.00 0.92 0.00 0.00 34 P 0.00 3.91 0.00 2.20 2.17 0.00 3.80 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 2.03 1.99 0.00 35 G 8.95 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 0.00 0.00 0.00 36 M 7.43 3.29 0.00 0.83 0.57 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.55 0.00 37 D 7.13 4.16 0.00 2.86 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 38 V 7.30 3.96 2.23 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 0.84 0.00 0.00 0.94 0.00 0.00 39 L 6.97 4.81 0.00 2.03 1.69 1.03 1.01 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 40 P 0.00 4.95 0.00 1.90 1.17 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 41 S 8.42 4.03 0.00 3.59 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 42 H 7.05 4.62 0.00 3.02 3.23 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.54 4.53 0.00 3.03 3.25 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 44 W 6.43 4.70 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 45 I 5.77 3.40 1.34 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 0.54 1.02 0.64 0.00 0.00 46 S 8.08 4.02 0.00 3.92 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 47 E 8.42 3.87 0.00 2.20 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 0.00 2.35 2.46 0.00 48 M 8.33 4.02 0.00 2.11 2.38 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 49 V 7.83 3.66 2.45 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 0.82 0.00 0.00 0.94 0.00 0.00 50 V 7.89 3.78 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 0.96 0.00 0.00 0.95 0.00 0.00 51 Q 8.42 3.97 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 52 L 8.28 3.99 0.00 1.85 1.89 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.89 4.13 0.00 3.89 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 0.00 54 D 8.38 4.35 0.00 2.86 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 55 S 7.96 3.88 0.00 4.25 3.97 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 56 L 9.05 4.05 0.00 1.95 1.78 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.30 3.89 4.59 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 1.25 0.00 0.00 58 D 8.28 4.48 0.00 2.76 2.73 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 59 L 7.98 4.33 0.00 1.71 1.99 0.95 0.85 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 60 L 8.01 4.15 0.00 1.62 1.98 0.24 1.11 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 61 D 9.65 4.76 0.00 3.01 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 62 K 7.81 4.10 0.00 1.72 1.62 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.89 1.74 7.81 63 F 8.28 4.80 0.00 3.17 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 64 S 8.32 4.55 0.00 3.76 3.63 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 65 N 8.10 4.51 0.00 2.37 2.61 0.00 0.00 6.84 7.94 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 66 I 8.25 4.38 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 1.28 0.80 0.97 0.00 0.00 67 S 8.44 3.96 0.00 3.63 3.61 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 68 E 8.12 4.07 0.00 1.98 1.79 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 2.23 1.87 0.00 69 G 8.82 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 70 L 8.07 4.51 0.00 1.61 1.60 0.89 0.81 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 71 S 8.27 4.52 0.00 4.16 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 72 N 8.59 4.29 0.00 2.13 2.42 0.00 0.00 6.53 7.48 0.00 0.00 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 Y 7.91 3.90 0.00 3.27 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 74 S 8.82 3.87 0.00 3.90 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 75 I 7.56 3.52 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 0.78 0.00 0.00 76 I 7.90 3.52 1.72 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.84 0.00 0.00 77 D 8.04 4.14 0.00 2.06 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 78 K 8.41 4.00 0.00 1.94 1.82 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.50 7.81 79 L 7.93 4.05 0.00 1.80 1.66 0.43 0.63 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 80 V 8.40 3.59 2.18 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 1.11 0.00 0.00 0.91 0.00 0.00 81 N 8.50 4.28 0.00 2.86 2.87 0.00 0.00 7.09 6.85 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 82 I 7.59 3.69 2.08 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 1.51 0.98 0.82 0.00 0.00 83 V 8.06 3.60 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 1.07 0.00 0.00 1.09 0.00 0.00 84 D 7.91 4.30 0.00 2.95 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 85 D 7.90 4.41 0.00 2.82 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 L 7.99 3.84 0.00 1.67 1.44 -0.07 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.36 3.54 2.28 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 0.81 0.00 0.00 1.01 0.00 0.00 88 E 8.56 4.16 0.00 2.18 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 0.00 2.31 2.46 0.00 89 C 8.90 3.98 0.00 3.24 3.54 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 90 V 8.37 3.78 2.20 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 0.99 0.00 0.00 0.91 0.00 0.00 91 K 7.75 4.54 0.00 1.92 1.66 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 92 E 8.01 4.83 0.00 1.99 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 2.19 2.27 0.00 93 N 7.93 4.82 0.00 3.08 2.85 0.00 0.00 7.09 8.95 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 94 S 8.42 4.04 0.00 4.07 4.04 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 95 S 7.99 3.40 0.00 3.97 3.88 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 *100 K 7.86 3.98 0.00 1.80 1.64 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 101 S 8.57 4.52 0.00 3.82 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 *102 F 8.45 4.26 0.00 2.34 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 0.00 0.00 0.00 103 K 7.99 4.50 0.00 1.68 1.74 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.37 7.81 104 S 8.46 4.49 0.00 3.92 3.80 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 0.00 0.00 0.00 105 P 0.00 4.49 0.00 2.19 2.12 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 106 E 8.43 4.44 0.00 1.90 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 2.34 2.27 0.00 107 P 0.00 4.76 0.00 2.12 2.09 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 108 R 9.52 4.80 0.00 2.17 1.63 0.00 3.23 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 109 L 8.23 5.22 0.00 1.41 1.51 0.88 0.77 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 0.00 110 F 9.33 4.89 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 0.00 111 T 8.66 4.43 4.31 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 1.30 0.00 0.00 112 P 0.00 4.58 0.00 2.51 2.59 0.00 3.81 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 113 E 8.62 4.11 0.00 2.15 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 2.38 2.42 0.00 114 E 8.33 3.98 0.00 2.30 2.20 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 2.46 2.48 0.00 115 F 8.47 3.60 0.00 3.15 3.23 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 0.00 116 F 9.03 4.00 0.00 3.50 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 0.00 117 R 8.50 3.93 0.00 2.08 2.07 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 118 I 7.84 3.52 1.58 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.71 0.00 0.00 119 F 7.74 3.71 0.00 2.56 3.09 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 0.00 120 N 8.32 4.26 0.00 3.11 2.92 0.00 0.00 7.04 8.51 0.00 0.00 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 R 8.03 4.04 0.00 1.97 1.99 0.00 3.09 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 122 S 8.31 4.35 0.00 3.81 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 0.00 123 I 7.13 3.57 1.67 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 -0.03 0.80 0.00 0.00 124 D 7.96 4.61 0.00 2.99 2.77 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 0.00 125 A 8.03 4.25 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 0.00 126 F 8.45 4.68 0.00 3.03 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 0.00 127 K 9.94 4.18 0.00 2.01 2.04 0.00 1.83 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.41 7.81 128 D 7.98 4.70 0.00 2.66 2.46 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 0.00 129 F 8.30 4.70 0.00 2.70 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 0.00 130 V 6.90 3.86 1.77 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 0.54 0.00 0.00 0.50 0.00 0.00 131 V 7.62 3.89 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 0.76 0.00 0.00 0.83 0.00 0.00 *135 T 7.92 4.33 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 1.21 0.00 0.00 136 S 8.09 4.27 0.00 3.81 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 0.00 137 D 8.00 4.49 0.00 2.68 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 0.00 138 C 7.57 4.75 0.00 2.91 3.09 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 0.00 139 V 7.66 4.42 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 0.75 0.00 0.00 0.93 0.00 0.00 140 V 8.60 3.79 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 0.86 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.