NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3922 0.0000 0.0000 62.1328 33.0530 176.2242 3 T 3.8715 8.3162 113.1566 61.3486 69.5731 173.5142 4 I 3.6936 8.5806 123.9954 64.6732 38.1105 179.4320 5 N 4.4145 8.1400 116.9694 56.2401 38.7251 176.8258 6 Q 4.0119 8.1576 120.0699 58.9865 28.7769 178.3183 7 L 4.0881 7.9048 119.6297 57.2255 41.3103 179.8922 8 V 3.6267 7.3294 117.5903 65.5694 31.7340 177.6901 9 R 3.9587 7.9711 116.2136 58.1929 29.5551 177.9144 10 K 3.4871 6.2605 122.7568 57.3844 33.5443 178.1466 11 G 3.9943 7.9884 105.7549 45.0564 0.0000 172.5528 12 R 4.2517 8.0349 117.4747 54.8811 31.1686 176.5255 13 E 4.1751 8.4533 122.9020 54.4073 29.1722 176.0015 14 K 3.9533 8.9708 128.4088 57.3426 30.6179 179.1236 15 V 2.4281 6.8897 113.9160 57.3071 33.3756 174.7953 16 R 4.2529 8.0995 124.1432 56.3969 31.2163 175.7449 17 K 4.6350 8.2732 121.6479 54.8396 35.2924 175.4255 18 K 4.2426 8.2956 119.8293 54.7883 32.9558 176.6055 19 S 4.0892 8.5277 118.9459 58.2388 61.2320 174.2015 20 K 3.8352 8.4416 127.5349 57.5200 31.9892 177.4251 21 V 4.0610 7.9906 117.6464 61.2929 32.5298 173.0569 22 P 4.5217 0.0000 0.0000 62.0298 29.9212 178.2261 23 A 4.2428 7.7877 114.0223 52.0928 18.5472 174.5163 24 L 3.2077 8.2521 126.0695 56.5621 42.0692 174.6536 25 K 3.9778 9.5947 120.2184 56.7998 30.7539 174.1720 26 G 3.9633 7.9362 102.4015 45.6299 0.0000 173.5327 27 A 4.4594 8.1956 122.1679 49.7041 20.0545 177.5610 28 P 3.9816 0.0000 0.0000 65.4060 31.4971 175.9323 29 F 5.2328 7.3188 112.6364 55.8297 43.9338 174.3634 30 R 4.6345 8.4057 119.4513 55.3155 33.4650 174.2184 31 R 4.8588 8.9516 126.7840 56.6584 31.7500 174.8358 32 G 4.4118 9.3556 108.9852 45.8043 0.0000 172.4657 33 V 4.4699 8.8493 120.8094 61.3957 34.6249 174.1562 34 C 5.1080 8.2714 121.4762 58.7853 29.0724 174.5772 35 T 4.3392 8.4432 114.2380 62.6610 70.1954 175.4573 36 V 4.4232 7.5598 120.8617 60.7882 35.1794 174.6817 37 V 5.0046 8.0098 125.1449 61.3760 30.6028 173.2167 38 R 4.6863 7.7709 125.3269 55.0207 33.4491 174.6634 39 T 5.1979 8.3081 109.5177 60.1220 71.3377 173.6608 40 V 4.7301 8.5374 114.4460 60.0627 36.4959 174.7404 41 T 4.7387 8.6966 112.8248 59.8974 70.3793 172.9800 42 P 4.6365 0.0000 0.0000 61.5225 33.6660 174.7366 43 K 4.0534 9.1086 120.3985 56.2413 32.6261 180.7125 44 K 4.0142 6.7561 116.1665 55.6312 33.8066 173.6125 45 P 4.6750 0.0000 0.0000 62.7014 32.3936 174.5575 46 N 5.0036 7.7529 116.9764 52.3678 41.1530 173.5067 47 S 4.4289 7.3365 110.0941 57.1126 65.0965 173.8873 48 A 4.3156 7.4105 129.3488 52.8254 21.3319 175.7561 49 L 5.1153 7.9670 116.8277 53.0728 41.7588 177.3681 50 R 4.1996 7.9508 118.7073 56.9293 32.1866 177.4950 51 K 4.6631 8.7956 122.6599 55.6810 33.6716 176.0724 52 V 5.0921 8.0504 124.6960 61.5229 35.2772 174.5478 53 A 5.1154 8.2353 120.4412 51.8903 21.9262 176.2552 54 K 4.4463 8.7059 122.4126 57.4196 33.5004 176.6264 55 V 4.8193 9.7056 124.7356 61.0841 35.3521 173.9788 56 R 4.7075 9.2263 128.1746 55.0451 31.0582 175.7353 57 L 5.0269 8.9486 127.4205 52.9330 44.2903 176.6733 58 T 4.1271 7.9772 109.1973 61.5149 68.6288 176.2226 59 S 4.4711 8.0848 111.2339 60.0944 65.7529 174.9461 60 G 3.9921 8.2220 108.8909 45.5755 0.0000 172.9391 61 Y 4.5552 7.7670 117.4119 56.3078 40.4007 174.1476 62 E 5.1635 8.7057 123.5233 54.6840 31.7965 175.0478 63 V 4.7619 8.8060 119.4888 59.8955 37.0881 174.2152 64 T 4.8118 8.5710 112.1448 60.9351 69.9889 173.9789 65 A 5.7585 8.8582 127.9311 49.5690 22.2771 174.7036 66 Y 4.6568 8.5074 121.4697 57.2681 40.7838 174.6567 67 I 4.2972 7.0365 126.6164 58.6935 37.1484 173.8042 68 P 4.0952 0.0000 0.0000 63.4681 31.8425 176.3993 69 G 3.9296 8.9784 106.9219 44.9528 0.0000 172.5024 70 E 4.1923 8.5034 119.5631 55.0935 29.5275 171.5553 71 G 3.9443 8.8808 124.1797 45.3795 0.0000 171.0800 72 H 5.2476 8.4507 123.7185 54.7857 31.3317 173.7205 73 N 4.8028 8.1979 110.1000 52.6532 37.2777 174.0789 74 L 4.8264 7.3242 116.6548 53.9009 45.6454 176.3550 75 Q 4.5380 8.2807 120.0082 53.7819 33.1618 173.8172 76 E 4.2177 8.4693 119.7171 58.8042 29.5697 176.1604 77 H 4.4393 9.4141 123.2053 55.4953 27.0651 174.7266 78 S 4.5749 8.1933 117.4713 57.4959 64.1084 173.6870 79 V 4.2541 9.3019 126.7016 62.9041 32.6872 175.2237 80 V 5.0374 9.8279 127.7050 61.5276 35.9978 173.0115 81 L 5.2638 8.3304 122.1096 53.2818 44.8787 175.0209 82 I 5.0899 8.5357 124.1125 59.8236 39.9108 176.0668 83 R 4.5616 9.0716 123.4994 55.0786 32.3928 174.0357 84 G 4.0362 8.2888 111.2497 44.8738 0.0000 171.0325 85 G 3.3590 7.5237 109.3767 43.6753 0.0000 173.7225 86 R 4.3987 8.0348 122.7232 55.6367 30.9781 176.8972 87 V 4.1364 7.1735 119.2825 61.0830 30.7475 176.9920 88 K 4.7363 7.6480 124.8347 58.8880 33.7001 176.9779 89 D 4.4451 8.1856 118.4462 56.4410 41.4678 176.0250 90 L 4.3997 8.2556 121.4478 52.6211 40.7755 172.7560 91 P 4.1389 0.0000 0.0000 63.1516 32.0596 174.6268 92 G 4.2105 9.1221 113.9811 45.7603 0.0000 173.7419 93 V 3.6421 7.7121 121.6926 63.4587 31.5436 175.8216 94 R 4.6327 8.8050 124.5924 55.9566 32.3063 174.7984 95 Y 5.1404 7.8504 116.9828 56.7528 42.3360 174.2486 96 H 5.2740 9.1047 120.4306 55.1147 31.1263 174.3214 97 I 4.6660 8.5214 121.8692 60.3585 38.6497 176.1376 98 V 3.9376 8.1956 125.7397 61.6950 32.0763 175.7392 99 R 4.0166 8.3566 128.1048 57.5802 30.4862 177.3181 100 G 3.9425 8.9970 110.2933 44.9786 0.0000 173.3182 101 V 4.1689 6.7644 117.6292 62.0727 34.8761 174.9129 102 Y 4.0157 8.5360 124.0195 59.5458 34.6766 170.2039 103 D 4.7872 9.3747 128.3424 55.3688 40.6930 175.5844 104 A 4.5238 8.0609 122.5781 50.3736 20.7875 176.4487 105 A 4.8310 8.6207 126.1175 50.6685 20.8878 176.8496 106 G 4.1204 8.1887 106.5181 45.0899 0.0000 173.7914 107 V 3.7277 7.6205 121.0811 63.2478 31.8617 176.1319 108 K 4.0968 8.7054 128.7862 57.6495 33.0643 177.3107 109 D 4.6887 8.6192 125.1798 54.8682 39.8763 174.8058 110 R 3.6761 7.5497 117.7821 56.7827 30.1961 175.2726 111 K 4.3136 8.6336 124.0866 58.1048 33.6355 177.0284 112 K 4.2999 8.1508 116.5934 57.7725 34.2394 178.4135 113 S 3.8507 7.4225 111.3766 60.9859 59.1053 173.4297 114 R 4.1165 7.9193 122.0489 58.5511 30.5331 178.4608 115 S 4.0290 8.0194 111.1005 61.8038 62.5367 174.3500 116 K 4.0534 7.7270 120.1995 57.8894 31.1504 176.4429 117 Y 3.3494 7.5357 118.5343 62.5260 35.3421 171.8181 118 G 3.8541 6.6850 105.9674 47.3821 0.0000 175.1559 119 T 4.8696 7.8280 115.5207 61.6426 72.5253 177.7897 120 K 4.3540 8.2779 124.8432 55.9398 31.2064 180.8693 121 K 4.1188 8.7263 133.1369 55.7225 32.5221 171.9017 122 P 4.3688 0.0000 0.0000 62.6949 31.4842 174.5619 123 K 4.6578 7.9603 118.2659 54.2389 35.3189 176.6904 124 E 4.1829 8.5197 120.1663 55.9259 27.0296 174.4852 125 A 4.3393 7.9330 123.7027 50.1908 20.5663 177.4319 *126 A 4.1172 8.5241 125.1356 52.5170 18.9464 176.1069 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 P 0.00 4.39 0.00 2.06 2.06 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 3 T 8.32 3.87 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 4 I 8.58 3.69 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 1.52 1.35 0.91 0.00 0.00 5 N 8.14 4.41 0.00 2.75 2.81 0.00 0.00 7.22 6.68 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 6 Q 8.16 4.01 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 7 L 7.90 4.09 0.00 1.89 1.72 0.92 0.79 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 8 V 7.33 3.63 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 0.83 0.00 0.00 1.00 0.00 0.00 9 R 7.97 3.96 0.00 1.96 1.74 0.00 3.24 0.00 0.00 3.33 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.03 0.00 10 K 6.26 3.49 0.00 1.92 1.78 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.46 7.81 11 G 7.99 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 12 R 8.03 4.25 0.00 1.81 1.86 0.00 3.36 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 13 E 8.45 4.18 0.00 1.92 1.88 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 2.24 2.28 0.00 14 K 8.97 3.95 0.00 1.75 1.76 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.41 7.81 15 V 6.89 2.43 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 0.71 0.00 0.00 0.93 0.00 0.00 16 R 8.10 4.25 0.00 1.96 1.99 0.00 3.18 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 17 K 8.27 4.64 0.00 1.85 1.73 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 18 K 8.30 4.24 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.47 7.81 19 S 8.53 4.09 0.00 3.84 3.79 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 20 K 8.44 3.84 0.00 1.71 1.76 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.40 7.81 21 V 7.99 4.06 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 0.63 0.00 0.00 1.01 0.00 0.00 22 P 0.00 4.52 0.00 2.19 1.99 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 23 A 7.79 4.24 1.41 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 0.00 0.00 24 L 8.25 3.21 0.00 1.68 1.50 -0.16 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 K 9.59 3.98 0.00 1.75 1.82 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 26 G 7.94 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 27 A 8.20 4.46 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 28 P 0.00 3.98 0.00 1.67 1.70 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 29 F 7.32 5.23 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 30 R 8.41 4.63 0.00 1.89 1.72 0.00 3.36 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 31 R 8.95 4.86 0.00 2.18 1.86 0.00 2.99 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.10 0.00 32 G 9.36 4.41 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 0.00 0.00 0.00 33 V 8.85 4.47 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 0.98 0.00 0.00 0.93 0.00 0.00 34 C 8.27 5.11 0.00 3.19 2.85 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 35 T 8.44 4.34 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 1.23 0.00 0.00 36 V 7.56 4.42 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 0.99 0.00 0.00 0.94 0.00 0.00 37 V 8.01 5.00 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 0.97 0.00 0.00 0.99 0.00 0.00 38 R 7.77 4.69 0.00 1.94 1.81 0.00 3.19 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 39 T 8.31 5.20 4.27 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 1.23 0.00 0.00 40 V 8.54 4.73 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 0.88 0.00 0.00 0.96 0.00 0.00 41 T 8.70 4.74 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 42 P 0.00 4.64 0.00 2.36 2.11 0.00 3.76 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 1.90 1.92 0.00 43 K 9.11 4.05 0.00 1.94 1.71 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.39 7.81 44 K 6.76 4.01 0.00 1.84 2.00 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.44 7.81 45 P 0.00 4.68 0.00 2.15 2.13 0.00 3.84 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 46 N 7.75 5.00 0.00 2.82 2.80 0.00 0.00 6.66 7.13 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 47 S 7.34 4.43 0.00 3.78 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 48 A 7.41 4.32 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 49 L 7.97 5.12 0.00 1.63 1.63 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.95 4.20 0.00 1.91 2.16 0.00 3.25 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 51 K 8.80 4.66 0.00 1.55 1.51 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.45 7.81 52 V 8.05 5.09 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 0.93 0.00 0.00 1.05 0.00 0.00 53 A 8.24 5.12 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 54 K 8.71 4.45 0.00 1.74 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.46 7.81 55 V 9.71 4.82 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 1.13 0.00 0.00 0.99 0.00 0.00 56 R 9.23 4.71 0.00 1.90 1.80 0.00 3.14 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 57 L 8.95 5.03 0.00 1.71 1.57 0.94 0.48 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 58 T 7.98 4.13 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 1.28 0.00 0.00 59 S 8.08 4.47 0.00 3.98 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 60 G 8.22 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 61 Y 7.77 4.56 0.00 2.85 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 62 E 8.71 5.16 0.00 1.92 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 2.18 2.41 0.00 63 V 8.81 4.76 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 0.84 0.00 0.00 0.64 0.00 0.00 64 T 8.57 4.81 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 1.25 0.00 0.00 65 A 8.86 5.76 1.29 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 0.00 0.00 0.00 66 Y 8.51 4.66 0.00 2.86 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 I 7.04 4.30 1.51 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.79 0.00 0.00 68 P 0.00 4.10 0.00 1.80 1.90 0.00 3.53 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 2.06 2.16 0.00 69 G 8.98 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 70 E 8.50 4.19 0.00 1.92 1.88 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 2.22 2.30 0.00 71 G 8.88 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 0.00 0.00 0.00 72 H 8.45 5.25 0.00 3.22 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.20 4.80 0.00 2.77 2.81 0.00 0.00 5.66 7.79 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 74 L 7.32 4.83 0.00 1.71 1.61 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.28 4.54 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 76 E 8.47 4.22 0.00 1.87 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 0.00 1.98 2.27 0.00 77 H 9.41 4.44 0.00 3.23 3.67 0.00 5.72 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.19 4.57 0.00 4.00 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 79 V 9.30 4.25 2.30 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 0.81 0.00 0.00 0.90 0.00 0.00 80 V 9.83 5.04 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 0.93 0.00 0.00 1.01 0.00 0.00 81 L 8.33 5.26 0.00 1.30 1.23 0.37 1.02 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 82 I 8.54 5.09 1.91 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 1.13 1.02 1.06 0.00 0.00 83 R 9.07 4.56 0.00 1.97 2.17 0.00 3.37 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 84 G 8.29 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 85 G 7.52 3.36 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 0.00 86 R 8.03 4.40 0.00 1.96 1.84 0.00 3.00 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 87 V 7.17 4.14 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 0.48 0.00 0.00 0.62 0.00 0.00 88 K 7.65 4.74 0.00 1.72 1.72 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.55 7.81 89 D 8.19 4.45 0.00 2.75 2.63 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 90 L 8.26 4.40 0.00 1.46 1.54 0.70 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.14 0.00 2.04 1.98 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 92 G 9.12 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 0.00 0.00 0.00 0.00 93 V 7.71 3.64 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 1.05 0.00 0.00 0.99 0.00 0.00 94 R 8.81 4.63 0.00 1.55 1.27 0.00 3.00 0.00 0.00 3.29 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 95 Y 7.85 5.14 0.00 2.88 2.85 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 96 H 9.10 5.27 0.00 3.19 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.52 4.67 1.97 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 1.14 0.55 0.89 0.00 0.00 98 V 8.20 3.94 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 0.74 0.00 0.00 0.83 0.00 0.00 99 R 8.36 4.02 0.00 1.82 1.86 0.00 3.36 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 100 G 9.00 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 0.00 0.00 0.00 101 V 6.76 4.17 1.52 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 0.10 0.00 0.00 0.66 0.00 0.00 102 Y 8.54 4.02 0.00 3.28 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 0.00 103 D 9.37 4.79 0.00 2.93 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 0.00 104 A 8.06 4.52 1.23 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 0.00 0.00 105 A 8.62 4.83 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 0.00 106 G 8.19 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 0.00 107 V 7.62 3.73 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 0.77 0.00 0.00 1.06 0.00 0.00 108 K 8.71 4.10 0.00 1.88 1.65 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 109 D 8.62 4.69 0.00 2.87 2.83 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 0.00 0.00 0.00 110 R 7.55 3.68 0.00 1.73 1.94 0.00 3.25 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 111 K 8.63 4.31 0.00 1.74 1.81 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.36 7.81 112 K 8.15 4.30 0.00 1.69 1.75 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.43 7.81 113 S 7.42 3.85 0.00 3.95 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 0.00 114 R 7.92 4.12 0.00 1.89 2.19 0.00 3.21 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 115 S 8.02 4.03 0.00 3.85 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 0.00 116 K 7.73 4.05 0.00 2.06 1.61 0.00 2.00 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.53 7.81 117 Y 7.54 3.35 0.00 3.23 3.10 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 0.00 118 G 6.68 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 0.00 119 T 7.83 4.87 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 1.27 0.00 0.00 120 K 8.28 4.35 0.00 1.74 0.98 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.37 7.81 121 K 8.73 4.12 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.44 7.81 122 P 0.00 4.37 0.00 2.21 2.08 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 123 K 7.96 4.66 0.00 1.66 1.70 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.48 7.81 124 E 8.52 4.18 0.00 2.00 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 2.31 2.25 0.00 125 A 7.93 4.34 1.23 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 0.00 0.00 *126 A 8.52 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 * Residues marked with a * may have inaccurate shift predictions.