NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6961 8.1633 120.6142 55.3914 34.0693 173.9550 2 K 4.7888 9.2263 125.3050 53.5524 36.4442 173.5469 3 K 4.6690 9.6261 126.9350 55.6270 34.2373 175.0932 4 V 4.8188 8.9912 128.7938 61.1848 33.7001 173.9036 5 E 5.3357 9.2477 126.8227 54.5061 32.1282 174.6436 6 A 5.0634 9.0682 126.7262 49.9873 22.1733 175.0866 7 I 4.8399 8.7712 124.1946 59.8587 38.8116 174.9218 8 I 4.7385 8.5994 120.7925 58.3043 41.5111 175.2878 9 R 4.0779 8.0693 121.2732 55.2765 30.5783 176.3070 10 P 4.1543 0.0000 0.0000 65.6633 31.4370 177.9326 11 F 4.6014 7.4490 110.0291 57.9239 38.2679 176.2632 12 K 4.5643 7.8857 121.1743 56.4633 32.0863 177.7045 13 L 3.9283 7.6277 122.3169 58.3324 41.9594 178.4098 14 D 4.3928 8.1420 118.5083 56.6830 39.1538 178.2853 15 E 3.9724 8.1500 118.8240 58.8336 29.6260 179.1092 16 V 3.5463 7.9916 119.3203 65.5459 31.6111 177.8271 17 K 3.8988 8.4196 119.8394 59.6033 31.9423 178.8157 18 I 3.6850 7.9838 119.7833 64.2893 37.1343 178.1444 19 A 3.9825 8.2567 121.8918 55.2602 18.2067 179.6732 20 L 3.9208 8.2586 117.7482 57.8568 41.6163 179.9531 21 V 3.7276 7.8699 118.0461 66.2853 31.3397 177.9130 22 N 4.3171 8.2350 114.4649 55.7443 38.3901 176.2413 23 A 4.4049 7.6133 119.8550 51.8815 18.9494 178.0683 24 G 3.8665 8.1843 106.4276 45.3430 0.0000 173.7928 25 I 4.0024 7.6455 121.3985 60.1962 37.6759 175.7415 26 V 4.1361 8.4586 125.1505 63.0473 32.2306 175.7578 27 G 4.0453 9.7722 113.4817 45.5465 0.0000 171.5707 28 M 5.0474 8.1876 120.0074 54.3050 34.6632 174.0281 29 T 4.6703 8.8120 116.7155 61.7760 71.6697 173.2452 30 V 5.0619 8.4860 125.7453 61.0750 34.1493 174.6579 31 S 4.8165 8.9375 121.2738 56.5695 66.7736 172.6116 32 E 4.7094 8.7489 121.3150 55.9361 30.3432 176.1004 33 V 4.6071 8.7335 116.4988 59.7630 36.9041 174.4543 34 R 4.8511 8.6452 121.0378 54.6088 32.0436 175.9856 35 G 4.0813 8.9251 112.7721 44.8788 0.0000 172.4888 36 F 4.7661 9.0435 125.7521 56.0078 40.1039 175.5853 *55 F 4.4604 8.2448 119.7165 56.7264 38.8839 173.5745 56 L 4.7153 8.0913 117.8843 53.1683 46.1746 176.0801 57 Q 4.4948 8.7918 121.9830 56.1680 29.5605 175.5407 58 K 4.8556 9.3607 122.2516 54.6740 37.4519 174.8667 59 L 5.2222 8.9181 120.6372 52.9428 45.5224 175.7700 60 K 4.9222 9.2995 125.0683 55.0478 34.0626 174.7764 61 I 4.9563 9.0390 128.9888 59.6419 39.6821 174.4203 62 E 5.2880 9.3083 127.0612 54.5177 32.4367 175.2268 63 I 4.9919 8.6968 116.5412 59.3556 41.8259 173.9251 64 V 4.9341 8.3111 122.1780 61.4181 34.1009 174.8583 65 V 4.6646 8.6713 119.4321 59.5472 36.6981 174.7025 66 D 4.7459 8.6521 121.9526 54.0419 41.4866 177.6409 67 E 3.9099 9.1026 121.7464 59.8760 29.4828 179.6967 68 G 3.8133 8.0843 104.3303 47.1019 0.0000 174.1321 69 Q 4.4499 8.1553 118.7533 56.3015 30.0292 177.4437 70 V 3.5331 7.3544 119.9152 66.4559 31.4131 177.4942 71 D 4.3434 8.0914 117.4618 57.7330 40.7525 178.5878 72 M 4.0071 7.9468 117.9177 58.6346 32.2891 178.2642 73 V 3.5617 8.2650 118.8331 65.9338 31.6833 178.1281 74 V 3.5562 8.3326 118.3529 66.1151 31.3694 177.7052 75 D 4.4217 8.3831 121.0904 58.0229 40.6748 179.6615 76 K 4.0526 8.0767 124.2165 59.4575 31.6085 180.9019 77 L 4.1208 8.1138 121.2872 58.0375 42.0532 179.2951 78 V 3.5225 8.1421 118.5709 66.2205 31.3063 178.0813 79 S 4.1232 7.9254 113.2373 61.6421 62.7155 176.3642 80 A 4.1359 7.8985 122.2453 54.8392 18.3367 179.0603 81 A 4.1641 8.0654 118.0577 53.0021 19.2154 178.2982 82 R 4.3491 7.3739 114.0409 56.3661 30.2241 176.6324 83 T 4.4734 9.5703 108.4430 60.7470 70.4536 175.1232 84 G 3.9828 8.8578 109.5238 44.9727 0.0000 173.0976 85 E 4.3485 8.0484 120.6827 54.7708 30.6259 175.6187 86 I 3.8038 8.0954 125.5446 63.0689 36.4204 176.2249 87 G 4.1619 9.0256 112.6413 45.6118 0.0000 175.0991 88 D 4.3105 7.4311 120.5488 55.5173 41.0658 176.1387 89 G 4.2377 8.0514 103.1793 45.0770 0.0000 172.1517 90 K 4.5499 8.0385 115.5935 54.9713 37.1080 175.3201 91 I 4.7204 7.7503 121.3725 59.5069 40.2016 175.0174 92 F 5.0368 9.0628 125.6506 55.7324 41.7169 174.4015 93 I 5.0687 8.5858 124.2550 59.6565 38.8736 175.0817 94 S 4.9226 9.1373 121.4180 55.5855 66.8804 171.7111 95 P 4.7509 0.0000 0.0000 62.9551 32.0877 175.7027 96 V 4.3924 8.0242 121.0935 61.7371 33.9919 174.9827 97 D 4.6308 8.9399 127.5317 57.0532 41.8264 176.3529 98 S 5.1871 7.8280 110.7209 56.9318 67.6209 173.5788 99 V 4.3918 8.7272 121.2925 61.1913 34.2688 174.2436 100 V 4.7925 8.4815 127.5264 61.0851 33.7697 174.5195 101 R 4.2979 8.9411 129.2876 55.1935 30.4422 176.8599 102 I 3.6775 8.6313 128.3072 64.5419 37.4831 177.4457 103 R 4.0238 8.2024 119.0328 59.0595 29.8089 176.9578 104 T 4.2520 7.8819 104.7651 60.8246 69.9554 175.4600 105 G 3.8453 8.4534 110.1384 45.5555 0.0000 172.8065 106 E 4.1368 7.9259 122.1431 55.6220 30.7024 175.2214 107 K 4.8714 8.6834 128.5488 54.9387 34.0920 174.7362 108 D 4.9193 9.1928 128.5359 53.1383 42.6612 175.4709 109 T 5.1791 8.5128 120.0955 61.7489 71.3029 173.6812 110 E 4.8467 8.9954 123.8804 54.1036 33.4971 175.7463 111 A 4.1227 8.6329 125.4633 52.3168 19.2691 177.8081 112 I 3.9770 8.1810 120.1999 61.6647 37.2782 176.2179 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 M 8.16 4.70 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 2 K 9.23 4.79 0.00 1.67 1.64 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.61 7.81 3 K 9.63 4.67 0.00 1.85 1.80 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 4 V 8.99 4.82 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 0.93 0.00 0.00 0.94 0.00 0.00 5 E 9.25 5.34 0.00 2.12 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 2.40 2.53 0.00 6 A 9.07 5.06 1.18 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 0.00 0.00 7 I 8.77 4.84 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.94 0.00 0.00 8 I 8.60 4.74 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.85 0.00 0.00 9 R 8.07 4.08 0.00 1.04 0.80 0.00 2.90 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 10 P 0.00 4.15 0.00 2.18 2.11 0.00 3.39 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 2.13 2.04 0.00 11 F 7.45 4.60 0.00 3.05 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 12 K 7.89 4.56 0.00 1.81 1.82 0.00 1.96 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.14 1.60 7.81 13 L 7.63 3.93 0.00 1.92 1.69 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.14 4.39 0.00 3.00 2.94 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 0.00 0.00 0.00 15 E 8.15 3.97 0.00 2.23 2.27 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 2.58 2.57 0.00 16 V 7.99 3.55 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 1.05 0.00 0.00 0.93 0.00 0.00 17 K 8.42 3.90 0.00 1.96 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 18 I 7.98 3.68 2.01 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 1.74 0.74 0.92 0.00 0.00 19 A 8.26 3.98 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 20 L 8.26 3.92 0.00 1.99 1.73 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.87 3.73 2.21 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 1.12 0.00 0.00 0.96 0.00 0.00 22 N 8.24 4.32 0.00 2.86 2.87 0.00 0.00 7.07 7.86 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 23 A 7.61 4.40 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 24 G 8.18 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 25 I 7.65 4.00 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 1.35 0.47 0.91 0.00 0.00 26 V 8.46 4.14 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 27 G 9.77 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 28 M 8.19 5.05 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.57 0.00 29 T 8.81 4.67 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 1.22 0.00 0.00 30 V 8.49 5.06 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 0.84 0.00 0.00 0.93 0.00 0.00 31 S 8.94 4.82 0.00 3.89 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 32 E 8.75 4.71 0.00 1.88 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 0.00 2.29 2.34 0.00 33 V 8.73 4.61 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 0.76 0.00 0.00 1.00 0.00 0.00 34 R 8.65 4.85 0.00 1.60 1.42 0.00 2.21 0.00 0.00 2.76 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.47 0.00 35 G 8.93 4.08 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 0.00 0.00 0.00 36 F 9.04 4.77 0.00 3.01 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 *55 F 8.24 4.46 0.00 2.42 1.45 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 56 L 8.09 4.72 0.00 1.58 1.52 0.90 1.04 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 57 Q 8.79 4.49 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 58 K 9.36 4.86 0.00 1.71 1.64 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.54 7.81 59 L 8.92 5.22 0.00 1.48 1.49 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.30 4.92 0.00 1.80 1.69 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.45 7.81 61 I 9.04 4.96 1.86 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 1.22 0.64 0.91 0.00 0.00 62 E 9.31 5.29 0.00 1.86 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 0.00 2.23 2.23 0.00 63 I 8.70 4.99 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 1.27 1.27 0.95 0.00 0.00 64 V 8.31 4.93 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 0.89 0.00 0.00 0.94 0.00 0.00 65 V 8.67 4.66 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 0.64 0.00 0.00 0.94 0.00 0.00 66 D 8.65 4.75 0.00 2.66 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 67 E 9.10 3.91 0.00 2.07 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 2.41 2.40 0.00 68 G 8.08 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 69 Q 8.16 4.45 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 70 V 7.35 3.53 2.19 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 0.87 0.00 0.00 0.97 0.00 0.00 71 D 8.09 4.34 0.00 2.72 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 72 M 7.95 4.01 0.00 2.15 2.05 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 2.66 2.54 0.00 73 V 8.26 3.56 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 1.01 0.00 0.00 1.01 0.00 0.00 74 V 8.33 3.56 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 0.99 0.00 0.00 0.95 0.00 0.00 75 D 8.38 4.42 0.00 2.88 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 76 K 8.08 4.05 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 77 L 8.11 4.12 0.00 2.03 1.77 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.14 3.52 2.19 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 0.96 0.00 0.00 0.97 0.00 0.00 79 S 7.93 4.12 0.00 4.02 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 80 A 7.90 4.14 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 81 A 8.07 4.16 1.28 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 0.00 0.00 0.00 82 R 7.37 4.35 0.00 2.05 2.02 0.00 3.01 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 83 T 9.57 4.47 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 1.35 0.00 0.00 84 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 85 E 8.05 4.35 0.00 2.05 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 2.29 2.29 0.00 86 I 8.10 3.80 1.88 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 1.35 0.65 0.92 0.00 0.00 87 G 9.03 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 0.00 0.00 0.00 0.00 88 D 7.43 4.31 0.00 2.53 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 89 G 8.05 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 0.00 0.00 0.00 90 K 8.04 4.55 0.00 1.26 1.04 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.38 7.81 91 I 7.75 4.72 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.89 0.00 0.00 92 F 9.06 5.04 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 93 I 8.59 5.07 1.91 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 1.42 0.86 0.93 0.00 0.00 94 S 9.14 4.92 0.00 3.82 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 95 P 0.00 4.75 0.00 2.10 2.10 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 96 V 8.02 4.39 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 0.82 0.00 0.00 0.95 0.00 0.00 97 D 8.94 4.63 0.00 2.64 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 98 S 7.83 5.19 0.00 3.69 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.73 4.39 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 0.00 100 V 8.48 4.79 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 0.84 0.00 0.00 0.93 0.00 0.00 101 R 8.94 4.30 0.00 1.90 1.80 0.00 3.16 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 I 8.63 3.68 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 1.30 0.65 0.91 0.00 0.00 103 R 8.20 4.02 0.00 1.76 1.97 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 104 T 7.88 4.25 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 0.00 105 G 8.45 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 0.00 0.00 0.00 106 E 7.93 4.14 0.00 2.03 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 2.42 2.25 0.00 107 K 8.68 4.87 0.00 1.79 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.44 7.81 108 D 9.19 4.92 0.00 2.70 2.57 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 0.00 109 T 8.51 5.18 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 1.26 0.00 0.00 110 E 9.00 4.85 0.00 1.78 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 2.24 0.00 111 A 8.63 4.12 1.24 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 0.00 0.00 112 I 8.18 3.98 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 1.28 0.68 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.