NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2876 8.3149 120.0045 56.3494 33.8411 175.3696 7 L 4.3259 8.2668 121.1405 53.2600 42.4946 174.5931 8 H 4.9880 9.0483 115.2036 54.1496 32.2317 172.7245 9 K 4.7037 8.4460 121.0088 55.8357 33.5643 175.9312 10 E 4.9977 8.9120 122.1686 53.7395 33.7582 173.6677 11 P 4.9676 0.0000 0.0000 63.2811 32.3294 174.9976 12 A 4.9628 8.4153 121.5210 51.2991 23.0334 175.4768 13 T 4.6263 8.3979 114.7682 61.3008 71.9415 173.8412 14 L 4.1910 8.7087 128.5811 55.8655 42.3209 175.5415 15 I 4.3531 8.6241 126.8075 62.2389 38.8600 176.0683 16 K 4.4818 7.6070 120.3012 55.4237 35.5890 173.7566 17 A 4.5912 8.7016 130.8369 51.8099 19.6529 176.6467 18 I 4.1566 8.4000 124.3451 62.7866 38.6663 175.1918 19 D 4.5330 7.9797 117.7643 52.8254 41.8480 175.2148 20 G 3.9263 9.0638 107.2816 48.8817 0.0000 173.9328 21 D 4.9384 8.1098 116.3125 52.6476 40.2655 174.7923 22 T 5.1967 7.8106 115.4051 62.2031 72.4569 173.1162 23 V 4.7717 8.8524 124.8374 61.0020 35.7671 173.6606 24 K 5.0532 9.3526 128.4099 54.9492 34.0205 175.0045 25 L 5.3739 9.5345 126.6700 53.2148 46.8611 175.3479 26 M 4.9369 8.9971 120.9405 54.6990 33.4892 173.9843 27 Y 4.9770 9.2025 129.1187 55.7651 41.3612 175.8920 28 K 3.5905 9.1439 127.6503 57.5061 29.4969 176.8227 29 G 4.0426 8.1871 105.0084 45.6125 0.0000 173.1841 30 Q 4.8619 7.7038 118.7304 53.5127 31.0153 173.6497 31 P 5.0266 0.0000 0.0000 63.4805 32.5875 175.1051 32 M 4.7770 9.3684 120.5336 55.0014 36.3699 173.1424 33 T 5.0233 8.4166 121.1576 62.3756 70.9565 173.4889 34 F 5.0741 9.7358 125.0080 55.6008 41.9282 174.3002 35 R 4.9733 9.0944 123.8248 54.2365 31.8321 175.2453 36 L 4.4445 8.7624 127.7900 55.1334 42.0256 177.4583 37 L 3.9666 8.6187 124.7943 55.0782 42.6400 176.7810 38 L 3.8082 8.7216 119.8975 55.7551 39.4132 174.2165 39 V 5.0038 7.6958 108.9863 59.9317 35.4349 175.4583 40 D 4.8513 9.0780 123.5821 52.6925 42.7913 175.1181 41 T 4.2976 8.2274 113.0743 59.9010 70.7469 173.0289 42 P 4.4045 0.0000 0.0000 62.3439 32.9049 175.4410 43 E 4.0888 9.4151 125.8960 55.9360 30.5878 177.2319 44 T 4.0916 8.1738 124.2930 63.9298 66.1482 173.0164 *51 V 3.9342 7.3873 119.9742 62.8062 32.9764 175.0757 52 E 4.5419 9.0994 127.7836 54.6180 31.9374 175.5384 53 K 3.9691 8.2695 123.1540 57.9830 32.7954 176.5649 54 Y 4.4720 8.0444 123.0475 59.6652 35.7100 171.2360 55 G 3.7491 8.1760 108.6358 47.2565 0.0000 174.5312 56 P 4.4370 0.0000 0.0000 64.7327 31.4758 178.2636 57 E 4.0497 8.1677 118.5931 59.3676 29.5622 178.6712 58 A 4.0794 8.0581 120.7082 55.0376 18.3246 180.0060 59 S 4.1419 8.2001 113.7157 61.7396 62.9557 176.5940 60 A 4.0317 8.1074 123.5008 55.1006 17.9949 179.3739 61 F 3.8746 8.4071 119.0075 61.7303 39.5645 177.2945 62 T 3.9396 8.3502 115.3149 66.6028 68.3398 176.2717 63 K 3.8275 8.3889 121.7006 59.5440 32.2879 178.6223 64 K 3.8535 8.3734 120.1072 59.7229 31.8852 178.4133 65 M 3.8653 7.8490 117.6284 58.4259 32.5348 178.0245 66 V 3.9091 7.7768 112.1619 63.4755 31.8463 178.3055 67 E 4.1199 8.1907 117.5508 58.7396 29.4828 177.4990 68 N 4.5590 7.7487 113.5917 53.6211 39.2410 175.4314 69 A 4.4455 7.2148 120.7712 51.9157 19.0030 177.8825 70 K 4.2150 8.8776 121.2552 58.1717 32.8767 177.8736 71 K 4.6561 8.5448 118.1702 54.6268 36.2255 175.5489 72 I 5.0448 8.4375 125.1342 59.6848 40.2196 174.4688 73 E 5.1286 9.2876 124.5193 54.9982 34.3253 174.6988 74 V 4.6696 8.9867 116.3424 59.5419 35.1299 174.7790 75 E 4.7899 8.8544 124.3277 54.3974 32.1772 174.8050 76 F 4.5076 8.8716 125.7401 57.6910 40.0708 175.4957 77 D 5.0040 8.4847 121.1143 53.0423 43.2660 175.7373 78 K 4.3214 8.9979 117.2087 58.2930 33.7202 178.0149 79 G 4.2629 7.6050 112.1150 44.5259 0.0000 173.1872 80 Q 4.1038 8.5141 121.3839 56.2936 29.4503 176.4366 81 R 4.5561 8.5750 120.3221 56.9772 30.9070 176.0121 82 T 5.0641 7.5202 106.9109 60.0311 71.8857 172.9271 83 D 4.9073 8.3979 123.1627 51.4027 41.5671 177.3192 84 K 3.8221 8.3861 117.3479 59.7101 32.3704 177.1329 85 Y 4.3280 7.9642 115.2743 57.6642 38.0268 176.0536 86 G 3.9132 8.3005 108.2039 45.6099 0.0000 173.7576 87 R 4.2901 8.7011 120.2320 55.0826 31.5118 176.4638 88 G 3.6758 8.6591 111.9934 46.2853 0.0000 172.4474 89 L 5.2266 9.0353 124.8614 53.4176 42.9055 175.4668 90 A 4.3305 8.2409 123.9199 51.2076 23.7722 173.7458 91 Y 4.8553 8.6766 117.0271 56.8399 39.8429 175.4717 92 I 4.6399 8.5212 125.6948 60.0797 39.3770 174.2381 93 Y 4.9530 9.3718 124.7145 56.0893 40.6200 174.5761 94 A 4.7769 9.2909 126.4435 49.9102 21.0076 176.0087 95 D 4.2898 9.8166 125.2101 56.2074 38.7883 175.4472 96 G 4.1130 8.0899 105.7049 45.6599 0.0000 172.9439 97 K 4.3548 7.9385 120.4214 55.3443 33.1555 175.6692 98 M 4.0096 8.5482 123.7064 54.9474 33.1073 176.8806 99 V 3.6303 8.8131 127.2713 66.0478 31.6163 177.5016 100 N 4.2909 8.0818 115.7775 56.4637 38.4486 176.7545 101 E 3.8985 8.0513 119.5204 59.2886 29.7961 178.1545 102 A 4.0990 8.0887 120.8313 55.4103 18.3372 179.6570 103 L 3.3777 8.0468 117.0870 57.7316 41.6417 179.9137 104 V 3.7025 7.4040 118.1708 66.1589 31.3154 177.9757 105 R 3.8592 8.1612 117.4005 59.2108 29.9489 177.2907 106 Q 4.2395 7.6238 116.3955 55.5240 29.3325 175.7425 107 G 3.9181 8.2211 107.3801 47.5382 0.0000 174.5469 108 L 4.6111 7.5528 116.4131 53.6599 42.2969 176.1646 109 A 4.5379 7.4121 118.1737 50.9893 21.9248 176.1035 110 K 4.7390 8.1254 121.5673 54.6247 34.9295 175.6807 111 V 4.2765 9.1865 126.3358 62.7411 31.8098 175.9298 112 A 4.6550 8.3637 129.8882 50.8263 19.4354 176.7432 113 Y 4.2543 8.7276 116.8893 57.5096 38.6678 176.6580 114 V 3.7762 8.4975 123.0259 63.3102 32.4021 174.5234 115 Y 4.6956 8.5586 127.0934 57.2911 40.8687 175.7498 116 K 3.6712 9.1084 126.6621 57.5020 29.7499 175.9706 117 G 4.0139 8.2424 104.0879 46.0094 0.0000 174.6165 118 N 4.8702 8.0261 119.0704 51.6694 37.2608 174.1500 119 N 5.1664 8.1494 115.3631 52.3122 39.0552 176.9323 120 T 3.8420 8.6169 117.7671 67.2145 68.7709 174.7334 121 H 4.8911 8.1367 116.0298 55.5616 29.2182 176.1766 122 E 4.0508 8.3317 123.9673 59.4897 29.2406 178.9673 123 Q 3.9770 8.0305 117.7348 58.6648 28.9095 178.0448 124 L 3.9250 7.8956 120.8475 58.3720 42.1659 178.9740 125 L 4.0371 8.0220 118.7518 57.6862 41.4581 179.7470 126 R 3.9106 8.3600 118.4348 59.1188 30.0229 178.9746 127 K 3.8458 8.1399 118.2535 59.7872 32.0921 179.2485 128 S 4.0964 7.9198 115.0132 61.8245 62.7335 176.5873 129 E 3.9410 8.3802 121.5258 59.0519 29.3345 178.6202 130 A 3.6770 7.9409 120.8747 55.1731 18.4674 179.1934 131 Q 3.8035 8.0582 117.7584 59.4776 29.0048 178.6582 132 A 3.9894 8.0738 121.6209 54.8571 18.3738 179.8342 133 K 3.0496 7.4833 117.1263 59.1779 31.8096 179.2389 134 K 3.7944 7.8441 118.8044 59.4571 32.1065 177.6055 135 E 4.2725 8.0305 115.2933 54.9289 30.6799 176.4711 136 K 4.1142 7.9259 117.8495 56.0794 30.3287 175.0745 137 L 4.3070 8.5268 119.2515 55.5328 44.3934 179.5308 138 N 3.2989 9.2344 117.6482 54.0938 38.8469 176.0697 139 I 3.1263 5.4200 126.6597 64.4596 37.8111 177.0103 140 W 4.8892 8.4948 118.8614 56.5184 29.2195 176.6344 141 S 4.4701 8.1100 119.8207 58.5821 62.6446 173.9533 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 6 K 8.31 4.29 0.00 1.91 1.91 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 7 L 8.27 4.33 0.00 1.94 1.79 1.08 0.95 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 8 H 9.05 4.99 0.00 3.26 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.45 4.70 0.00 1.58 1.70 0.00 1.37 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.12 1.25 7.81 10 E 8.91 5.00 0.00 2.15 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 2.39 2.36 0.00 11 P 0.00 4.97 0.00 2.10 2.08 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 12 A 8.42 4.96 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 13 T 8.40 4.63 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 1.23 0.00 0.00 14 L 8.71 4.19 0.00 1.63 1.58 0.98 1.08 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 15 I 8.62 4.35 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.94 0.00 0.00 16 K 7.61 4.48 0.00 1.81 1.62 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 A 8.70 4.59 1.25 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 0.00 0.00 18 I 8.40 4.16 2.04 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 1.47 0.64 0.90 0.00 0.00 19 D 7.98 4.53 0.00 2.79 2.76 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 20 G 9.06 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 0.00 0.00 0.00 21 D 8.11 4.94 0.00 2.86 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 22 T 7.81 5.20 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 1.25 0.00 0.00 23 V 8.85 4.77 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 0.94 0.00 0.00 0.93 0.00 0.00 24 K 9.35 5.05 0.00 1.86 1.87 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.63 7.81 25 L 9.53 5.37 0.00 1.69 1.65 0.36 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.00 4.94 0.00 2.19 2.02 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 2.57 2.55 0.00 27 Y 9.20 4.98 0.00 3.43 3.12 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 28 K 9.14 3.59 0.00 1.57 1.65 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.01 0.25 7.81 29 G 8.19 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 0.00 0.00 0.00 30 Q 7.70 4.86 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.64 2.37 0.00 31 P 0.00 5.03 0.00 2.15 2.14 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 32 M 9.37 4.78 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 33 T 8.42 5.02 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 1.22 0.00 0.00 34 F 9.74 5.07 0.00 2.99 2.82 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 35 R 9.09 4.97 0.00 1.85 1.76 0.00 3.35 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 36 L 8.76 4.44 0.00 1.50 1.60 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.62 3.97 0.00 0.86 1.31 0.35 0.87 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 38 L 8.72 3.81 0.00 2.00 1.82 1.16 1.02 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 39 V 7.70 5.00 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 0.80 0.00 0.00 0.93 0.00 0.00 40 D 9.08 4.85 0.00 2.52 2.54 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 41 T 8.23 4.30 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 1.23 0.00 0.00 42 P 0.00 4.40 0.00 2.11 2.08 0.00 3.57 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 2.13 2.02 0.00 43 E 9.42 4.09 0.00 2.25 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 2.28 2.31 0.00 44 T 8.17 4.09 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 *51 V 7.39 3.93 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 0.74 0.00 0.00 0.89 0.00 0.00 52 E 9.10 4.54 0.00 1.96 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 2.25 2.34 0.00 53 K 8.27 3.97 0.00 1.64 1.68 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.77 7.81 54 Y 8.04 4.47 0.00 3.21 3.06 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 0.00 0.00 0.00 0.00 55 G 8.18 3.75 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 0.00 0.00 0.00 56 P 0.00 4.44 0.00 2.27 2.31 0.00 3.66 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 2.04 2.02 0.00 57 E 8.17 4.05 0.00 2.39 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 2.55 2.50 0.00 58 A 8.06 4.08 1.42 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 0.00 0.00 0.00 59 S 8.20 4.14 0.00 4.06 3.94 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 60 A 8.11 4.03 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 0.00 0.00 61 F 8.41 3.87 0.00 3.26 3.24 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 62 T 8.35 3.94 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 1.28 0.00 0.00 63 K 8.39 3.83 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 K 8.37 3.85 0.00 1.85 1.74 0.00 1.62 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.37 7.81 65 M 7.85 3.87 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 66 V 7.78 3.91 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 0.83 0.00 0.00 1.01 0.00 0.00 67 E 8.19 4.12 0.00 2.01 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 2.41 0.00 68 N 7.75 4.56 0.00 2.76 2.82 0.00 0.00 6.98 7.26 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 69 A 7.21 4.45 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 70 K 8.88 4.21 0.00 1.91 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 71 K 8.54 4.66 0.00 1.77 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 72 I 8.44 5.04 2.03 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 1.34 1.28 0.89 0.00 0.00 73 E 9.29 5.13 0.00 1.93 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 2.29 0.00 74 V 8.99 4.67 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 -0.02 0.00 0.00 0.74 0.00 0.00 75 E 8.85 4.79 0.00 2.22 2.31 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 2.49 2.57 0.00 76 F 8.87 4.51 0.00 3.05 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 77 D 8.48 5.00 0.00 2.68 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 78 K 9.00 4.32 0.00 1.90 1.98 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.42 7.81 79 G 7.60 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 0.00 0.00 0.00 0.00 80 Q 8.51 4.10 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 81 R 8.58 4.56 0.00 1.66 1.70 0.00 3.26 0.00 0.00 3.61 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.00 82 T 7.52 5.06 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 1.18 0.00 0.00 83 D 8.40 4.91 0.00 2.85 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 84 K 8.39 3.82 0.00 1.62 1.86 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.47 1.09 7.81 85 Y 7.96 4.33 0.00 3.13 2.99 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 86 G 8.30 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 87 R 8.70 4.29 0.00 2.05 1.82 0.00 3.11 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 88 G 8.66 3.68 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 0.00 0.00 0.00 89 L 9.04 5.23 0.00 1.60 1.68 1.17 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.24 4.33 0.68 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 0.00 0.00 91 Y 8.68 4.86 0.00 2.92 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 92 I 8.52 4.64 1.75 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.97 0.79 0.00 0.00 93 Y 9.37 4.95 0.00 3.01 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 94 A 9.29 4.78 1.22 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 0.00 0.00 0.00 95 D 9.82 4.29 0.00 2.75 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 96 G 8.09 4.11 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 0.00 0.00 0.00 97 K 7.94 4.35 0.00 2.04 1.77 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.44 7.81 98 M 8.55 4.01 0.00 1.87 1.59 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.31 0.00 99 V 8.81 3.63 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 1.04 0.00 0.00 0.91 0.00 0.00 100 N 8.08 4.29 0.00 2.88 2.95 0.00 0.00 6.77 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 0.00 101 E 8.05 3.90 0.00 1.93 2.02 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 2.36 2.29 0.00 102 A 8.09 4.10 1.64 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 0.00 0.00 103 L 8.05 3.38 0.00 1.84 1.60 0.97 0.63 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 0.00 104 V 7.40 3.70 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 1.18 0.00 0.00 1.01 0.00 0.00 105 R 8.16 3.86 0.00 2.01 1.95 0.00 3.34 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 106 Q 7.62 4.24 0.00 1.94 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 107 G 8.22 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 0.00 108 L 7.55 4.61 0.00 1.31 1.49 0.53 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.41 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.13 4.74 0.00 1.67 1.58 0.00 1.99 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.40 7.81 111 V 9.19 4.28 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 0.80 0.00 0.00 1.03 0.00 0.00 112 A 8.36 4.66 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.73 4.25 0.00 2.88 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 0.00 114 V 8.50 3.78 2.17 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 0.82 0.00 0.00 1.02 0.00 0.00 115 Y 8.56 4.70 0.00 3.02 2.81 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 0.00 116 K 9.11 3.67 0.00 1.37 1.64 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.76 7.81 117 G 8.24 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 0.00 118 N 8.03 4.87 0.00 2.92 2.83 0.00 0.00 6.64 7.51 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 0.00 119 N 8.15 5.17 0.00 2.95 3.02 0.00 0.00 6.10 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 0.00 120 T 8.62 3.84 4.18 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 1.08 0.00 0.00 121 H 8.14 4.89 0.00 2.92 3.07 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.33 4.05 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 2.35 2.41 0.00 123 Q 8.03 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.90 3.93 0.00 1.75 1.85 0.90 0.56 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 0.00 125 L 8.02 4.04 0.00 2.07 1.74 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.36 3.91 0.00 2.01 1.96 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 127 K 8.14 3.85 0.00 1.90 1.84 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.63 7.81 128 S 7.92 4.10 0.00 4.03 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 0.00 129 E 8.38 3.94 0.00 2.19 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 2.25 2.70 0.00 130 A 7.94 3.68 1.27 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 0.00 0.00 131 Q 8.06 3.80 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 132 A 8.07 3.99 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.48 3.05 0.00 1.46 1.32 0.00 1.07 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.84 3.79 0.00 1.67 1.96 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 8.03 4.27 0.00 1.97 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 2.29 2.61 0.00 136 K 7.93 4.11 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.35 7.81 137 L 8.53 4.31 0.00 1.90 1.74 1.05 0.63 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 0.00 138 N 9.23 3.30 0.00 2.54 1.42 0.00 0.00 7.13 7.23 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 0.00 139 I 5.42 3.13 1.22 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.01 -0.46 0.00 0.00 140 W 8.49 4.89 0.00 3.45 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 0.00 141 S 8.11 4.47 0.00 4.02 4.02 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 * Residues marked with a * may have inaccurate shift predictions.