NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5779 8.4098 121.8908 55.3827 43.4431 174.9856 5 T 4.5693 7.7583 110.3390 57.8867 73.1974 171.0469 6 E 3.9218 8.4975 120.7541 59.5751 30.0886 179.6547 7 E 3.9715 8.0620 117.0424 59.4803 29.8276 178.9216 8 Q 4.1071 7.5883 119.2778 58.2208 28.5948 178.7072 9 I 3.9821 7.8668 120.6861 64.1573 36.0178 178.3168 10 A 4.0006 7.9703 121.7893 54.9219 17.9782 179.6590 11 E 4.0178 7.8892 116.8415 59.7624 29.7002 179.6090 12 F 5.0083 7.6464 116.1200 60.3790 38.8950 178.0051 13 K 3.6829 8.0623 118.9225 59.3207 31.9808 178.9362 14 E 3.9866 7.8549 119.7132 59.1779 29.3335 178.6793 15 A 4.3159 8.0266 119.5662 54.6311 18.4927 179.2004 16 F 3.4763 7.9246 119.2243 61.3886 39.2500 177.5248 17 S 4.1641 7.9505 113.5508 61.7525 62.6397 176.5177 18 L 4.0718 7.3537 119.7329 57.6122 41.4978 179.1273 19 F 4.2942 7.9871 117.2853 59.9531 39.0395 176.5479 20 D 4.1670 8.0173 116.2821 57.1158 40.5953 181.2664 21 K 3.8743 7.5371 114.9755 59.3543 33.6828 174.9518 22 D 4.6948 7.9097 119.7311 53.2950 40.8378 177.1579 23 G 3.9454 7.6691 110.9853 44.1639 0.0000 174.1484 24 D 4.4641 9.8451 121.9175 52.7624 38.3978 173.2919 25 G 4.3735 7.9641 105.9429 46.8321 0.0000 173.2057 26 T 5.3561 7.9220 106.4245 59.8596 72.5107 173.0864 27 I 4.7908 8.8894 123.7698 59.9050 40.5941 175.5426 28 T 4.9272 8.3829 117.3950 60.1658 71.3451 175.8317 29 T 3.9216 8.4394 111.3290 64.6393 68.4890 176.6527 30 K 3.9567 7.9601 121.0080 59.5775 32.3466 179.0266 31 E 4.0457 8.2859 118.6770 59.0592 29.2548 179.4496 32 L 4.2527 7.8986 119.1182 57.9223 41.7779 179.6075 33 G 3.7139 8.3454 105.6766 48.1604 0.0000 175.7749 34 T 3.8588 8.1784 118.0167 66.6221 68.4454 177.2218 35 V 3.5915 7.7872 119.7689 66.2087 31.5103 177.9764 36 M 4.0674 8.3845 118.6332 58.1787 31.9195 178.8258 37 R 4.8930 8.4042 119.8515 58.2641 30.0404 178.6478 38 S 4.3689 7.9160 112.4938 59.8654 63.1758 175.1662 39 L 4.6245 7.0830 121.8211 54.2846 42.3232 176.9701 40 G 3.8305 7.5467 104.9154 46.1363 0.0000 174.1359 41 Q 4.4520 7.8539 120.9312 54.5528 30.5217 174.4359 42 N 5.2701 8.1238 119.1503 50.9122 39.4891 171.8248 43 P 4.5031 0.0000 0.0000 62.2239 32.7504 177.0623 44 T 4.5340 8.0900 110.6889 60.3288 72.0590 175.5369 45 E 3.9530 8.7768 121.2264 59.8180 29.3948 179.4965 46 A 3.9724 7.8615 120.9349 55.0734 18.4746 179.0704 47 E 4.4076 7.4370 115.7175 57.7439 29.8923 179.1219 48 L 4.1424 7.9696 120.0570 57.7883 41.9083 179.0002 49 Q 4.0502 8.0144 118.7833 58.8677 28.4247 177.6954 50 D 4.5079 8.0508 119.6995 56.6817 40.3923 178.1044 51 M 4.0947 7.7390 119.3709 57.7603 32.6145 178.5944 52 I 3.5888 7.4370 119.0484 64.5694 37.3799 178.0607 53 N 4.5429 7.4972 113.3529 55.0672 38.3309 176.6868 54 E 4.0808 7.5376 121.0081 58.4890 29.8428 177.2632 55 V 4.1132 7.0972 114.7060 62.3949 31.1043 175.8447 56 D 4.0605 7.4311 117.0485 53.8815 41.6993 175.9777 57 A 3.5763 8.1715 123.6383 51.7111 18.3447 176.4751 58 D 4.4404 9.7838 114.5995 53.6801 39.7723 175.6349 59 G 3.8419 7.6403 106.9029 44.2032 0.0000 176.6539 60 N 3.9443 10.0167 116.4941 53.2378 37.4572 175.6730 61 G 3.9253 8.5051 105.4310 45.5605 0.0000 172.4633 62 T 4.9194 7.5388 108.0121 59.7370 72.6601 173.0737 63 I 5.5020 8.8516 122.1334 58.8072 40.0483 175.9461 64 D 5.4170 8.8645 127.0111 51.6467 41.5150 177.3442 65 F 3.7141 8.3817 119.4340 60.6730 39.1945 174.6704 66 P 4.0082 0.0000 0.0000 65.8716 31.0995 178.2731 67 E 3.8861 8.2367 116.4495 59.3045 29.4752 179.0901 68 F 3.9747 8.0233 120.2139 61.1731 37.8815 176.8103 69 L 3.7336 7.8261 120.1702 58.4853 41.7054 179.1801 70 T 4.0265 7.6892 115.5924 66.6364 68.4783 176.3159 71 M 3.8354 7.8827 120.1431 58.9281 32.0167 177.9235 72 M 3.9135 7.4228 116.1428 57.0600 31.9476 176.7442 73 A 4.5685 6.9746 118.4611 52.4676 21.9163 178.0018 74 R 4.1710 7.9904 119.5267 54.7426 28.7861 176.6150 75 K 4.3538 7.8469 120.9435 54.6044 33.8781 176.2343 76 M 4.2833 8.1642 120.1067 54.8022 32.5421 176.2836 *77 K 4.3566 8.1779 121.5003 53.7255 33.1652 174.6385 78 D 5.1519 8.2636 115.9887 53.5356 43.4050 178.5127 79 T 4.3974 8.1149 109.0550 62.0899 68.2943 175.1638 80 D 4.8015 9.1941 114.3779 53.6395 39.8328 175.8294 81 S 4.8429 7.5244 113.2247 58.0623 64.5591 171.9895 82 E 4.8817 8.6046 124.9586 57.4207 36.3256 176.2056 83 E 4.4862 7.8473 119.8388 55.1686 28.4695 175.7214 84 E 4.1759 8.1139 126.7774 59.4481 30.2789 177.4842 85 I 4.1616 7.8327 119.7967 64.2428 37.3953 177.9487 86 R 4.2391 8.2013 119.3032 59.4181 29.7661 178.2770 87 E 4.0442 7.9190 116.8522 59.2608 29.8457 178.8793 88 A 4.3523 8.1452 120.6509 55.1592 18.5269 179.2938 89 F 3.2040 8.3217 119.1948 61.3714 39.0677 177.5588 90 R 3.7349 7.9872 116.6396 59.1631 29.8856 178.9132 91 V 3.6973 7.4778 117.1183 65.9939 31.5686 177.8914 92 F 4.2124 8.1714 116.3437 59.6616 40.3436 176.6689 93 D 4.4489 7.6991 122.2492 53.9306 38.0585 176.5600 94 K 3.7457 7.8818 121.9509 58.9135 32.7938 176.6941 95 D 4.4605 8.3150 119.9133 52.7297 40.3307 178.3613 96 G 4.3849 8.5147 117.4649 45.0909 0.0000 172.7605 97 N 4.6319 7.9577 113.2202 52.7538 38.8144 176.7148 98 G 3.8985 8.8182 107.9793 45.3479 0.0000 172.3230 99 Y 4.9627 8.1590 116.2746 55.8066 41.0937 175.4837 100 I 4.1022 8.9759 127.5618 61.3422 38.3245 176.6741 101 S 4.8449 9.2994 122.7264 57.3370 64.6354 175.4263 102 A 4.0626 8.7407 121.4653 55.0322 18.0229 179.7061 103 A 3.9539 7.9861 118.9036 55.6533 18.5960 179.6791 104 E 3.9738 8.1363 116.4693 59.1895 29.4343 179.4099 105 L 4.1073 7.9576 120.4321 58.0717 42.2901 178.9190 106 R 3.9239 8.0835 118.7629 59.6811 29.8592 178.1524 107 H 4.0983 8.1817 116.0051 58.9816 28.5979 177.9689 108 V 3.4732 7.8169 119.9505 66.1979 31.2300 178.0176 109 M 4.0777 8.1326 118.5340 58.4524 31.8261 178.9075 110 T 3.9774 7.8316 115.8261 66.5707 68.3971 176.3786 111 N 4.3374 7.7518 118.0819 56.1464 39.0502 176.0847 112 L 4.2281 7.2678 118.3149 54.8268 42.1103 177.4749 113 G 3.9707 7.9130 107.4126 45.1320 0.0000 173.8798 114 E 3.9361 8.2629 122.6358 56.6156 29.4903 177.1710 *115 K 4.4471 8.5655 126.7458 52.7449 32.1473 171.8436 116 L 4.9683 7.9688 123.7714 52.2180 43.8425 177.1871 117 T 4.1439 8.3358 115.8417 63.4656 70.3642 175.7802 118 D 4.3672 8.5690 122.9693 57.4686 40.9842 178.6661 119 E 3.9628 8.1703 119.4920 59.4057 29.6258 178.6511 120 E 4.0287 7.9916 118.1651 59.1088 29.5237 179.2076 121 V 3.5850 7.8898 118.4899 66.1462 31.6807 177.5967 122 D 4.3981 8.2967 117.3401 56.6502 40.9322 177.7762 123 E 3.9565 8.0491 120.1667 59.4916 29.2854 178.6345 124 M 4.0924 8.0947 118.7672 58.4106 32.0409 178.7565 125 I 3.7810 7.5562 120.0574 64.6207 37.1315 178.7961 126 R 4.0423 7.9609 117.1550 58.8192 29.8464 178.7039 127 E 4.1033 7.7778 117.8582 58.9193 29.6440 178.2883 128 A 4.5570 7.5113 117.9737 52.3158 19.7940 177.8935 129 D 4.5538 7.9304 116.5319 53.6916 40.4472 175.5777 130 I 3.8867 8.1521 127.2359 63.8014 37.5205 177.3983 131 D 4.4665 8.4312 117.7957 53.7056 39.8154 177.2104 132 G 3.9054 8.2867 107.9019 46.1487 0.0000 174.2716 133 D 4.4000 8.2207 119.9909 53.8114 39.8180 177.2791 134 G 4.1028 8.6721 106.8778 45.1477 0.0000 172.4561 135 Q 4.7444 8.4416 117.2626 54.2631 33.6855 174.1864 136 V 4.5262 8.8074 119.6420 61.6171 34.1042 175.0364 137 N 5.4028 9.0579 126.4509 51.2463 40.1061 175.2288 138 Y 2.9785 8.2053 117.9194 60.8721 38.4900 177.8581 139 E 3.7375 8.1283 118.2988 58.5499 29.5357 178.5366 140 E 3.9603 8.1229 118.4745 58.2290 29.9459 178.2912 141 F 3.9688 7.9182 120.9116 61.1868 39.3737 177.3533 142 V 3.4027 7.6762 118.1810 66.0136 31.0287 177.8248 143 Q 4.1533 7.1019 119.2764 58.6195 28.9821 177.3757 144 M 4.0866 7.8261 118.1522 58.0229 32.2493 177.9091 145 M 4.0598 7.3626 118.4043 58.2013 32.6311 176.7954 146 T 4.2346 8.0201 114.4646 61.9613 69.1246 174.3103 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 4 L 8.41 4.58 0.00 1.65 1.70 1.06 0.78 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 5 T 7.76 4.57 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 1.20 0.00 0.00 6 E 8.50 3.92 0.00 2.05 1.98 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 2.37 2.37 0.00 7 E 8.06 3.97 0.00 2.21 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 2.32 2.42 0.00 8 Q 7.59 4.11 0.00 2.29 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 9 I 7.87 3.98 2.06 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 1.60 0.83 1.15 0.00 0.00 10 A 7.97 4.00 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 11 E 7.89 4.02 0.00 1.86 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 2.25 2.42 0.00 12 F 7.65 5.01 0.00 3.61 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 13 K 8.06 3.68 0.00 1.65 1.53 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.06 1.54 7.81 14 E 7.85 3.99 0.00 2.29 2.22 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 2.35 2.43 0.00 15 A 8.03 4.32 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 0.00 0.00 0.00 0.00 0.00 16 F 7.92 3.48 0.00 2.85 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 17 S 7.95 4.16 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 18 L 7.35 4.07 0.00 1.50 1.52 0.89 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 19 F 7.99 4.29 0.00 2.77 2.90 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 20 D 8.02 4.17 0.00 2.63 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 21 K 7.54 3.87 0.00 1.99 2.15 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.52 7.81 22 D 7.91 4.69 0.00 2.85 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 23 G 7.67 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 0.00 0.00 0.00 24 D 9.85 4.46 0.00 2.91 2.80 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 25 G 7.96 4.37 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 0.00 26 T 7.92 5.36 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 1.34 0.00 0.00 27 I 8.89 4.79 1.81 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.18 0.73 0.00 0.00 28 T 8.38 4.93 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 29 T 8.44 3.92 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 1.20 0.00 0.00 30 K 7.96 3.96 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.54 7.81 31 E 8.29 4.05 0.00 2.05 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 0.00 2.35 2.37 0.00 32 L 7.90 4.25 0.00 1.91 1.76 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.35 3.71 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 0.00 0.00 0.00 34 T 8.18 3.86 4.33 0.00 0.00 0.00 0.00 0.00 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 35 V 7.79 3.59 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 0.58 0.00 0.00 0.92 0.00 0.00 36 M 8.38 4.07 0.00 2.16 2.22 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 3.00 2.71 0.00 37 R 8.40 4.89 0.00 2.06 1.97 0.00 3.13 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 38 S 7.92 4.37 0.00 4.02 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 39 L 7.08 4.62 0.00 1.86 1.68 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.55 3.83 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 0.00 0.00 0.00 41 Q 7.85 4.45 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 42 N 8.12 5.27 0.00 2.65 2.66 0.00 0.00 7.03 7.69 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 43 P 0.00 4.50 0.00 2.23 2.06 0.00 3.82 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 2.00 1.98 0.00 44 T 8.09 4.53 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 45 E 8.78 3.95 0.00 2.18 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 2.37 2.34 0.00 46 A 7.86 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.41 0.00 1.94 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 2.53 2.20 0.00 48 L 7.97 4.14 0.00 1.89 1.70 0.97 0.52 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 49 Q 8.01 4.05 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 50 D 8.05 4.51 0.00 2.91 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 51 M 7.74 4.09 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 52 I 7.44 3.59 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.17 0.90 0.00 0.00 53 N 7.50 4.54 0.00 2.93 2.87 0.00 0.00 7.08 7.54 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 54 E 7.54 4.08 0.00 1.94 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 2.28 2.28 0.00 55 V 7.10 4.11 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 0.77 0.00 0.00 0.91 0.00 0.00 56 D 7.43 4.06 0.00 2.77 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 57 A 8.17 3.58 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.78 4.44 0.00 2.89 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 59 G 7.64 3.84 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 0.00 0.00 0.00 60 N 10.02 3.94 0.00 2.98 3.01 0.00 0.00 5.92 7.00 0.00 0.00 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 G 8.51 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 62 T 7.54 4.92 4.29 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 1.23 0.00 0.00 63 I 8.85 5.50 2.09 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 1.17 1.28 1.15 0.00 0.00 64 D 8.86 5.42 0.00 2.83 2.90 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 65 F 8.38 3.71 0.00 2.17 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 66 P 0.00 4.01 0.00 2.29 2.07 0.00 3.79 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 2.13 2.21 0.00 67 E 8.24 3.89 0.00 2.27 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 0.00 2.32 2.36 0.00 68 F 8.02 3.97 0.00 3.30 3.16 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 69 L 7.83 3.73 0.00 0.97 1.54 1.02 0.79 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 70 T 7.69 4.03 4.15 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 1.15 0.00 0.00 71 M 7.88 3.84 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 72 M 7.42 3.91 0.00 0.80 1.44 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.95 0.00 73 A 6.97 4.57 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 74 R 7.99 4.17 0.00 1.74 1.86 0.00 3.30 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 75 K 7.85 4.35 0.00 1.69 1.69 0.00 1.74 0.00 0.00 2.34 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.48 7.81 76 M 8.16 4.28 0.00 2.07 2.05 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 2.58 2.55 0.00 *77 K 8.18 4.36 0.00 1.80 1.66 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 0.99 7.81 78 D 8.26 5.15 0.00 2.76 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 79 T 8.11 4.40 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 80 D 9.19 4.80 0.00 2.80 2.80 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 81 S 7.52 4.84 0.00 3.89 3.78 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 82 E 8.60 4.88 0.00 1.93 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 0.00 2.22 2.25 0.00 83 E 7.85 4.49 0.00 2.30 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 2.32 2.37 0.00 84 E 8.11 4.18 0.00 2.12 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 0.00 2.48 2.48 0.00 85 I 7.83 4.16 2.02 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 1.62 0.84 1.12 0.00 0.00 86 R 8.20 4.24 0.00 1.99 2.01 0.00 3.11 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 87 E 7.92 4.04 0.00 2.25 2.07 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 2.40 2.68 0.00 88 A 8.15 4.35 1.74 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 89 F 8.32 3.20 0.00 2.31 3.16 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 90 R 7.99 3.73 0.00 2.17 1.97 0.00 3.21 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 91 V 7.48 3.70 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 0.71 0.00 0.00 1.05 0.00 0.00 92 F 8.17 4.21 0.00 2.87 2.98 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 93 D 7.70 4.45 0.00 1.84 1.92 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 94 K 7.88 3.75 0.00 1.82 1.73 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.53 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.36 1.34 7.81 95 D 8.31 4.46 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 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 0.00 0.00 0.00 0.00 97 N 7.96 4.63 0.00 2.98 3.01 0.00 0.00 6.55 7.00 0.00 0.00 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 G 8.82 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 0.00 0.00 0.00 99 Y 8.16 4.96 0.00 2.89 2.98 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 0.00 100 I 8.98 4.10 1.98 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 1.22 0.51 1.04 0.00 0.00 101 S 9.30 4.84 0.00 3.95 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 0.00 102 A 8.74 4.06 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 0.00 103 A 7.99 3.95 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 0.00 104 E 8.14 3.97 0.00 2.23 2.01 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 2.24 2.29 0.00 105 L 7.96 4.11 0.00 1.92 1.95 1.19 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.08 3.92 0.00 2.09 2.13 0.00 3.14 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 1.61 1.68 0.00 107 H 8.18 4.10 0.00 3.39 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.82 3.47 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 0.49 0.00 0.00 0.63 0.00 0.00 109 M 8.13 4.08 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.03 0.00 110 T 7.83 3.98 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 1.18 0.00 0.00 111 N 7.75 4.34 0.00 2.59 2.91 0.00 0.00 7.27 8.10 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 0.00 112 L 7.27 4.23 0.00 1.71 1.60 0.90 0.81 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 0.00 113 G 7.91 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 0.00 114 E 8.26 3.94 0.00 2.06 1.92 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 2.34 2.23 0.00 *115 K 8.57 4.45 0.00 1.76 1.62 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 0.97 7.81 116 L 7.97 4.97 0.00 1.67 1.75 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.34 4.14 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 1.21 0.00 0.00 118 D 8.57 4.37 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.96 0.00 2.08 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 2.38 2.47 0.00 120 E 7.99 4.03 0.00 2.33 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 2.40 2.37 0.00 121 V 7.89 3.59 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 1.04 0.00 0.00 1.03 0.00 0.00 122 D 8.30 4.40 0.00 2.91 2.66 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 0.00 0.00 0.00 0.00 123 E 8.05 3.96 0.00 2.38 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 0.00 2.49 2.36 0.00 124 M 8.09 4.09 0.00 2.17 2.31 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 2.86 2.61 0.00 125 I 7.56 3.78 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.13 0.99 0.00 0.00 126 R 7.96 4.04 0.00 1.96 2.01 0.00 3.17 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 127 E 7.78 4.10 0.00 2.02 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 2.57 2.47 0.00 128 A 7.51 4.56 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 0.00 129 D 7.93 4.55 0.00 2.86 2.66 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 0.00 0.00 0.00 0.00 130 I 8.15 3.89 2.04 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 1.46 0.81 0.91 0.00 0.00 131 D 8.43 4.47 0.00 2.81 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 0.00 132 G 8.29 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 0.00 133 D 8.22 4.40 0.00 2.83 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 0.00 134 G 8.67 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 0.00 135 Q 8.44 4.74 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 136 V 8.81 4.53 2.22 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 1.25 0.00 0.00 1.01 0.00 0.00 137 N 9.06 5.40 0.00 2.56 2.95 0.00 0.00 6.48 7.19 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 0.00 138 Y 8.21 2.98 0.00 1.87 2.59 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 0.00 139 E 8.13 3.74 0.00 2.18 1.92 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 2.40 2.46 0.00 140 E 8.12 3.96 0.00 2.21 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 0.00 2.28 2.36 0.00 141 F 7.92 3.97 0.00 3.16 2.90 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 0.00 142 V 7.68 3.40 1.76 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 0.87 0.00 0.00 0.02 0.00 0.00 143 Q 7.10 4.15 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.20 0.00 144 M 7.83 4.09 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 145 M 7.36 4.06 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 146 T 8.02 4.23 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.