NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 4.0907 8.0549 120.3928 62.5268 32.4126 175.2825 13 E 3.8994 8.8839 127.3790 58.2348 29.8373 174.5124 14 L 4.7784 8.6358 121.4860 51.9208 43.2550 176.5905 15 R 3.9321 8.3966 123.1412 58.7500 30.1693 176.4767 16 P 4.3164 0.0000 0.0000 65.3673 31.3093 178.3673 17 L 4.0962 7.8953 117.5841 57.1290 41.1572 179.5536 18 I 3.7686 7.6266 119.7706 64.3888 37.3929 178.2288 19 G 3.7283 8.0019 106.0740 47.6757 0.0000 175.1827 20 L 4.0034 7.6146 121.6610 57.6085 42.4629 178.2747 21 T 4.3354 7.7189 107.2659 60.4551 69.2849 174.5209 22 R 4.0542 7.0044 122.9474 58.2197 30.3829 176.7242 23 G 3.9674 8.9135 113.2913 45.1325 0.0000 173.2495 24 L 4.1372 7.5722 121.9425 53.8026 42.8701 175.4422 25 P 4.4212 0.0000 0.0000 62.1846 33.2242 175.9669 26 P 4.2869 0.0000 0.0000 65.8458 31.2056 179.2653 27 T 3.9119 7.8497 108.3506 65.0021 68.6917 176.2881 28 D 4.3272 8.0125 121.3776 56.6474 40.9540 178.1517 29 L 3.8827 8.0743 121.0850 58.3424 41.9794 178.8316 30 E 3.9350 8.5460 119.3934 59.2875 29.5432 178.8704 31 T 3.9033 8.2853 116.4504 66.6756 68.4575 176.6514 32 I 3.7300 7.9928 121.8768 64.6609 37.0749 178.6785 33 T 3.8799 7.8830 116.5864 66.4559 68.4588 177.0828 34 I 3.7845 7.5360 121.9413 64.5714 37.0690 178.2789 35 D 4.4000 8.3138 119.4757 57.1561 40.5368 178.6700 36 A 3.9821 8.1816 121.6207 54.8968 18.2508 179.7935 37 I 3.7120 7.9095 118.6445 64.5269 37.1977 178.7284 38 R 3.9310 7.8790 118.4530 59.6065 29.8957 179.2021 39 T 3.8528 8.0759 115.5072 66.8817 68.4051 176.0302 40 H 4.3729 8.2790 121.4516 58.8947 29.8895 177.4335 41 R 3.8078 8.1730 119.8228 59.2235 29.8406 179.0749 42 R 3.9036 8.1147 118.5197 59.4139 30.1034 178.6342 43 L 4.0348 8.2843 119.3140 57.4416 41.4809 179.6654 44 V 3.5145 7.9066 118.5882 65.8860 31.4054 177.5098 45 E 3.9003 8.1438 119.1175 59.2890 29.3154 178.8779 46 K 3.9295 8.1294 119.2769 59.3881 32.2378 178.6361 47 A 4.0910 8.1018 121.0776 55.3788 18.3214 179.3422 48 D 4.3878 8.4815 117.6685 57.4475 40.7919 178.5872 49 E 3.9671 8.5265 120.0484 59.4325 29.4564 178.9219 50 L 4.0429 8.0215 117.7633 57.6400 41.8997 178.9799 51 F 3.7436 8.6613 120.9044 61.3714 39.1361 177.1548 52 Q 3.9005 8.0785 116.0174 58.8229 28.5861 178.2646 53 A 4.1318 7.5387 119.3523 52.4504 19.0558 177.8258 54 L 3.8912 6.9036 117.7783 53.3922 42.5316 175.5139 55 P 4.3515 0.0000 0.0000 62.4806 32.2517 177.0351 56 E 3.8824 8.9402 121.7127 59.8635 29.2450 179.2946 57 T 3.8094 8.0040 109.1782 65.2297 68.3700 175.5318 58 Y 4.3192 8.0417 120.1551 59.3833 37.8744 177.7108 59 K 3.9544 7.7443 117.9932 58.0690 32.2095 178.1529 60 T 4.5502 7.7848 107.9228 60.5937 69.4595 174.8513 61 G 3.9609 7.5741 109.5916 46.6529 0.0000 175.0768 62 Q 4.0324 7.7007 119.2882 57.3533 28.6684 176.2742 63 A 4.6168 7.8739 119.7327 50.3888 21.9776 174.2627 64 C 4.4867 8.1434 112.8368 57.9102 32.2785 174.3681 65 G 3.9633 8.9184 106.2610 45.7060 0.0000 173.7578 66 G 4.1239 8.5464 103.0553 44.7397 0.0000 172.9720 67 P 4.2153 0.0000 0.0000 65.4997 31.3620 178.9345 68 Q 3.8987 7.9525 117.8476 59.4469 28.9745 177.5745 69 H 4.2160 8.0340 118.7662 59.1910 29.8969 176.9295 70 I 3.6669 8.0501 121.8913 64.7038 36.9955 178.5890 71 R 3.9505 8.1826 118.7254 59.2727 29.7880 178.6264 72 Y 4.0915 8.0067 119.1484 60.7383 38.8870 177.8054 73 I 3.3045 7.8970 120.9646 64.4226 37.2124 178.2568 74 E 3.9311 8.5103 119.4478 59.2860 29.2576 179.2459 75 A 3.9692 7.9156 120.8147 55.3162 18.3485 179.9336 76 S 3.9537 7.9198 113.6852 61.5440 62.7242 176.9180 77 I 3.6705 8.1280 122.9954 64.2997 36.8425 177.8970 78 E 3.8699 8.1551 120.0928 59.6060 29.4033 178.6660 79 M 3.9976 7.9632 118.0695 58.9752 32.0813 177.9751 80 H 4.2059 8.1835 115.3406 58.6789 29.0283 177.3828 81 A 4.1175 8.3136 122.9665 55.2013 18.1117 179.4742 82 Q 3.8738 8.2233 118.1674 59.5019 29.0120 178.1589 83 M 3.9181 8.0650 119.3453 58.5314 32.1370 178.1915 84 S 4.2328 8.1825 114.6689 60.4462 62.4832 175.9854 85 A 3.8827 7.8328 123.1815 54.9977 18.2254 179.1306 86 L 3.5613 7.9280 119.0131 58.3644 42.0561 179.0146 87 N 4.2589 8.1908 116.5105 56.4253 38.3939 177.6272 88 T 3.8855 7.5417 117.0785 66.4887 68.4227 176.7456 89 L 3.9382 7.8883 121.0028 57.8703 41.5031 179.1118 90 Y 4.2970 7.6110 116.6777 61.4194 37.6099 179.0096 91 S 4.1737 7.7761 114.4375 61.5542 62.9477 176.6012 92 I 3.8933 7.5905 121.8711 64.2654 36.9917 177.9475 93 L 4.0204 7.9672 120.6102 56.2262 41.9644 177.8438 94 G 4.1010 9.5105 105.9928 44.6636 0.0000 172.4605 95 F 4.6376 7.0025 111.5722 56.2467 39.8838 173.1045 96 I 3.9252 8.2041 122.9548 59.1050 37.7916 174.5264 97 P 4.7899 0.0000 0.0000 62.0339 32.1519 175.7569 98 K 4.1414 8.5057 121.2374 56.1282 32.6494 176.3533 99 V 4.3669 8.1339 125.2346 60.7163 33.9855 174.8271 100 V 3.8002 8.5007 127.3799 62.7370 31.9379 175.3436 101 V 4.3517 8.1771 121.9871 60.1039 34.7949 176.0176 *102 N 4.5415 8.5439 117.1305 52.7390 38.1459 175.3249 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 12 V 8.05 4.09 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 1.00 0.00 0.00 0.93 0.00 0.00 13 E 8.88 3.90 0.00 2.27 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 2.39 2.39 0.00 14 L 8.64 4.78 0.00 1.63 1.54 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.40 3.93 0.00 1.84 1.98 0.00 3.13 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 16 P 0.00 4.32 0.00 2.13 2.10 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 17 L 7.90 4.10 0.00 1.92 1.68 0.89 0.69 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 18 I 7.63 3.77 1.95 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 1.45 0.45 0.91 0.00 0.00 19 G 8.00 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 20 L 7.61 4.00 0.00 1.72 1.87 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.72 4.34 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 1.21 0.00 0.00 22 R 7.00 4.05 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 23 G 8.91 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 0.00 0.00 0.00 24 L 7.57 4.14 0.00 1.71 1.63 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.42 0.00 2.20 1.97 0.00 3.65 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 26 P 0.00 4.29 0.00 2.20 2.14 0.00 3.61 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 2.14 2.17 0.00 27 T 7.85 3.91 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 1.24 0.00 0.00 28 D 8.01 4.33 0.00 2.92 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 29 L 8.07 3.88 0.00 1.73 1.80 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.55 3.94 0.00 2.08 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 0.00 2.37 2.39 0.00 31 T 8.29 3.90 4.42 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 1.21 0.00 0.00 32 I 7.99 3.73 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.87 0.00 0.00 33 T 7.88 3.88 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 1.25 0.00 0.00 34 I 7.54 3.78 2.02 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 1.58 1.18 0.94 0.00 0.00 35 D 8.31 4.40 0.00 2.85 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 36 A 8.18 3.98 1.30 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 0.00 0.00 37 I 7.91 3.71 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.82 0.99 0.00 0.00 38 R 7.88 3.93 0.00 2.05 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 39 T 8.08 3.85 4.38 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 1.20 0.00 0.00 40 H 8.28 4.37 0.00 3.38 3.56 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.17 3.81 0.00 2.03 1.95 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 42 R 8.11 3.90 0.00 1.88 2.09 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 43 L 8.28 4.03 0.00 1.80 1.66 0.90 0.68 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 44 V 7.91 3.51 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 1.09 0.00 0.00 0.74 0.00 0.00 45 E 8.14 3.90 0.00 2.08 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 2.32 2.34 0.00 46 K 8.13 3.93 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.52 7.81 47 A 8.10 4.09 1.40 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 0.00 0.00 0.00 48 D 8.48 4.39 0.00 2.92 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 49 E 8.53 3.97 0.00 2.05 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 2.33 2.37 0.00 50 L 8.02 4.04 0.00 2.03 1.87 0.99 0.87 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 51 F 8.66 3.74 0.00 2.91 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 52 Q 8.08 3.90 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 53 A 7.54 4.13 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 54 L 6.90 3.89 0.00 1.25 1.27 0.38 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.35 0.00 2.43 2.03 0.00 3.23 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 E 8.94 3.88 0.00 2.04 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 2.37 2.43 0.00 57 T 8.00 3.81 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 1.14 0.00 0.00 58 Y 8.04 4.32 0.00 2.99 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 59 K 7.74 3.95 0.00 1.86 1.76 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.30 0.94 7.81 60 T 7.78 4.55 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 1.26 0.00 0.00 61 G 7.57 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 62 Q 7.70 4.03 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 63 A 7.87 4.62 0.52 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 0.00 0.00 64 C 8.14 4.49 0.00 3.25 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 65 G 8.92 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 66 G 8.55 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.22 0.00 2.17 2.12 0.00 3.62 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 2.16 0.00 68 Q 7.95 3.90 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 69 H 8.03 4.22 0.00 3.07 3.55 0.00 5.76 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 70 I 8.05 3.67 2.05 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 1.53 0.67 0.91 0.00 0.00 71 R 8.18 3.95 0.00 2.00 2.00 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 72 Y 8.01 4.09 0.00 3.14 3.17 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 73 I 7.90 3.30 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.43 0.84 0.00 0.00 74 E 8.51 3.93 0.00 1.94 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 2.30 2.43 0.00 75 A 7.92 3.97 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 76 S 7.92 3.95 0.00 3.69 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 77 I 8.13 3.67 1.95 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 1.38 0.78 0.89 0.00 0.00 78 E 8.16 3.87 0.00 2.01 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 2.28 2.30 0.00 79 M 7.96 4.00 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.67 0.00 80 H 8.18 4.21 0.00 3.27 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.31 4.12 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 82 Q 8.22 3.87 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 83 M 8.07 3.92 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 84 S 8.18 4.23 0.00 4.06 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 85 A 7.83 3.88 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 86 L 7.93 3.56 0.00 1.64 1.61 0.48 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.19 4.26 0.00 2.82 2.84 0.00 0.00 7.07 7.91 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 88 T 7.54 3.89 4.35 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 1.22 0.00 0.00 89 L 7.89 3.94 0.00 1.60 1.58 0.80 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.61 4.30 0.00 3.14 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 91 S 7.78 4.17 0.00 3.99 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 92 I 7.59 3.89 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.60 0.89 0.00 0.00 93 L 7.97 4.02 0.00 1.46 1.59 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.51 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 0.00 0.00 0.00 95 F 7.00 4.64 0.00 2.95 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 96 I 8.20 3.93 1.64 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.66 0.00 0.00 97 P 0.00 4.79 0.00 2.29 2.25 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 98 K 8.51 4.14 0.00 1.76 1.79 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 99 V 8.13 4.37 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 0.90 0.00 0.00 0.99 0.00 0.00 100 V 8.50 3.80 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 0.00 101 V 8.18 4.35 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 0.83 0.00 0.00 0.94 0.00 0.00 *102 N 8.54 4.54 0.00 2.49 2.63 0.00 0.00 6.55 7.56 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 * Residues marked with a * may have inaccurate shift predictions.