NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4310 8.2649 122.4710 51.7862 20.0232 176.4656 2 T 3.9495 8.3297 120.6176 63.2568 69.6747 172.1931 3 K 5.3451 9.0805 125.7278 54.8688 37.2101 174.5938 4 A 5.3847 9.1448 123.8258 50.9238 23.4488 175.1147 5 V 5.0120 8.8468 117.4241 60.9118 35.4445 173.3817 6 C 4.9539 9.1567 121.8791 58.0265 35.4623 172.6304 7 V 4.5932 8.4538 126.0287 61.4165 32.9906 174.1958 8 L 4.8130 8.8007 129.3967 54.0682 43.0723 176.3243 9 K 4.8497 9.1828 122.1649 55.3687 37.0428 176.3713 10 G 4.4597 7.9930 108.4826 45.2674 0.0000 171.9854 11 D 4.6219 8.7861 117.8872 55.1760 42.0532 177.1838 12 G 4.3300 7.5813 109.2633 44.4954 0.0000 171.9124 13 P 4.3893 0.0000 0.0000 63.8720 32.1245 176.0212 14 V 4.6052 7.8206 120.4963 62.3800 32.0532 174.9670 15 Q 4.8556 8.3564 124.2052 55.6155 31.8746 173.1800 16 G 4.3042 8.4143 106.9074 46.0373 0.0000 172.0017 17 I 5.0694 8.2608 120.1385 59.3708 40.7504 174.9844 18 I 4.6574 8.7305 127.7466 59.4856 40.1438 174.5645 19 N 4.9274 8.3949 124.4042 51.5634 41.0404 174.0588 20 F 5.4686 8.8945 119.3990 55.9608 43.5924 173.6745 21 E 5.2792 9.7678 122.8039 54.8821 33.5395 173.6893 22 Q 4.8982 9.3550 127.3651 54.4914 31.5202 175.9457 23 K 4.1206 9.0556 127.2093 58.6884 32.7521 177.2502 24 E 4.8074 7.7661 114.8720 54.0658 32.5397 176.3252 25 S 4.0848 8.7984 115.3137 60.9197 63.0981 174.6621 26 N 4.6422 8.1850 116.1700 52.4844 37.5514 174.5257 27 G 4.0716 7.8027 109.0038 43.0877 0.0000 171.5656 28 P 4.6760 0.0000 0.0000 62.7239 32.5036 175.7824 29 V 4.5898 8.9107 121.4423 61.2562 33.5626 174.5040 30 K 4.7798 9.3694 130.3757 55.9094 33.7959 175.3733 31 V 4.9091 9.2098 127.7427 60.8390 34.2021 174.1447 32 W 6.0082 7.9619 123.9852 55.0883 31.7659 175.4170 33 G 3.8450 7.8468 107.2685 46.2975 0.0000 170.9548 34 S 5.0906 7.7085 114.4754 57.1021 67.1751 173.5746 35 I 4.9199 8.6545 121.5162 59.6611 40.5617 175.1875 36 K 4.6562 9.2879 126.2572 55.3406 35.3416 177.2546 37 G 3.7714 8.6440 106.7724 46.7571 0.0000 173.6066 38 L 4.4728 7.5529 119.8937 52.9478 43.1184 176.4538 39 T 4.3026 8.1309 110.9956 61.0831 69.5028 174.0715 40 E 4.1231 8.5902 124.5804 57.8955 30.5353 175.4255 41 G 3.8285 8.4909 109.8774 43.9417 0.0000 172.2301 42 L 4.8852 8.1967 118.9814 54.7208 42.9659 176.5261 43 H 4.9890 9.2291 119.5264 53.7304 32.9529 173.3489 44 G 4.0301 9.2532 111.3977 46.7932 0.0000 172.3556 45 F 5.5136 9.0746 124.5154 56.9494 42.5465 173.0401 46 H 5.2289 9.0474 122.6168 54.1640 33.8278 172.6310 47 V 4.5018 8.5864 121.7718 62.3194 32.7150 175.0187 48 H 5.1039 9.4185 125.4553 54.3406 30.8108 175.8736 49 E 3.7132 8.9015 122.1347 58.8582 29.5919 177.0750 50 F 4.9646 8.2364 118.3994 54.8386 41.6163 176.8576 51 G 4.1263 8.4134 112.3659 44.6685 0.0000 174.2200 52 D 4.7806 7.9903 118.4839 52.7640 42.1714 174.6308 53 N 5.4944 8.7105 124.1160 52.3810 39.2319 176.5960 54 T 3.9523 8.4286 111.7242 63.8185 69.1712 174.3774 55 A 4.7374 8.1258 125.9236 51.4241 20.3662 176.3862 56 G 3.7807 7.7895 112.7213 48.1333 0.0000 177.5601 57 C 4.4981 8.6121 118.4247 58.9469 40.7012 175.7206 58 T 3.8036 7.5976 116.5529 65.8154 67.8427 175.5208 59 S 4.5988 7.8452 113.8105 58.4880 63.5415 175.1857 60 A 4.3257 7.4065 126.0037 53.6339 18.3077 178.7932 61 G 4.0155 7.8331 106.0733 43.8511 0.0000 170.7809 62 P 4.7226 0.0000 0.0000 61.8634 33.8568 175.0103 63 H 4.4044 8.4332 116.4636 55.8637 29.4512 175.6640 64 F 4.2689 9.1890 125.8736 58.1356 40.3876 175.0664 65 N 5.1697 7.8399 124.6165 51.7740 39.1841 172.8391 66 P 4.1230 0.0000 0.0000 65.0483 32.1215 178.0536 67 L 4.2621 7.6003 116.3253 53.8721 42.0565 176.1475 68 S 3.6065 7.4459 113.5106 59.6979 60.6391 171.9122 69 R 4.5384 8.0462 118.1205 54.5453 32.2964 176.5899 70 K 4.3641 9.0260 118.4211 55.5368 33.0825 176.5713 71 H 4.0550 8.4241 121.0001 56.6195 30.4267 175.0312 72 G 3.9065 7.8535 112.4606 45.0865 0.0000 172.4919 73 G 4.0204 8.9901 109.1266 43.2150 0.0000 173.2594 74 P 4.3186 0.0000 0.0000 65.4406 31.1681 177.4127 75 K 4.3874 7.9224 115.3077 56.1489 32.2251 176.0009 76 D 4.7815 7.6581 119.4997 53.2133 42.0303 176.7653 77 E 3.9235 8.7826 122.3949 59.2631 29.6546 177.1912 78 E 4.2807 7.9321 121.5743 55.2635 29.1377 174.9448 79 R 4.9156 7.6841 120.3950 55.8805 32.3255 174.4490 80 H 4.4991 9.2097 116.6864 55.3511 29.4917 176.7539 81 V 3.4813 8.3440 122.7587 66.3325 31.5967 177.0834 82 G 3.8840 8.4275 105.1859 47.1297 0.0000 173.5133 83 D 4.9415 8.0912 121.4125 53.6148 39.9528 175.6393 84 L 4.5051 8.4948 121.8660 53.1294 42.5717 178.2763 85 G 4.0574 8.4773 109.1814 46.5762 0.0000 174.2326 86 N 5.6481 8.6613 120.4602 51.4130 42.2647 173.4332 87 V 4.3912 8.5779 114.4967 60.0046 35.4990 174.8153 88 T 5.0533 8.1707 117.8056 61.8709 71.6875 172.9941 89 A 4.9737 9.0487 129.2243 50.6293 21.1512 177.1522 90 D 4.9712 8.8972 122.0396 52.1105 40.9659 177.2440 91 K 4.1374 8.4652 117.2731 59.4105 32.5618 177.2115 92 D 4.5468 8.3007 117.9879 54.0927 41.2386 176.9694 93 G 4.3075 8.5106 108.4548 44.6105 0.0000 172.6827 94 V 4.6314 8.2363 120.4277 61.0416 33.3505 174.4178 95 A 5.4256 9.1745 130.8648 49.6037 20.7729 174.9125 96 D 4.8410 8.6514 123.1549 53.9067 42.5154 175.4914 97 V 4.2459 8.8160 126.5799 61.2462 33.8169 174.6202 98 S 5.0344 8.5960 122.7292 57.4002 64.0628 172.5779 99 I 4.8263 9.3269 127.8762 59.2171 41.4656 174.2531 100 E 5.1462 8.8170 124.8857 54.5689 32.2830 174.2660 101 D 5.0233 9.4311 126.7000 52.5588 44.5384 175.7811 102 S 4.6707 8.9644 118.5572 58.2716 63.9335 174.6437 103 V 4.0528 7.9755 121.0601 64.9238 32.0880 176.3577 104 I 4.0661 7.7930 111.4114 61.1285 37.9760 174.6147 105 S 4.6612 8.2287 114.6586 57.4634 65.4039 173.6214 106 L 4.5583 8.9691 122.9811 54.2654 41.5773 176.1711 107 S 4.4447 7.9426 112.5324 58.1476 66.1500 174.8451 108 G 3.8814 8.4673 109.1161 44.8144 0.0000 172.8595 109 D 4.4487 8.6344 116.9239 55.4384 39.9381 175.7842 110 H 4.6473 8.1287 118.5135 54.6862 28.8728 175.6318 *112 I 3.7666 8.1231 118.0037 59.7114 39.2728 175.7265 113 I 3.6676 7.3895 122.5733 63.0972 37.5223 176.3058 114 G 3.8132 9.3448 113.4724 45.3096 0.0000 173.0139 115 R 4.8972 7.4621 119.1580 54.9578 33.6623 174.6271 116 T 4.9796 7.9437 116.0125 62.0366 71.0786 173.8129 117 L 4.7716 8.5945 128.8793 54.1605 43.9470 175.4207 118 V 4.9973 8.9490 125.8932 61.0100 35.2023 174.1878 119 V 5.1127 8.6440 126.7271 60.4848 33.7768 174.6985 120 H 5.2854 8.9568 121.1667 54.0890 30.6767 174.6702 121 E 4.1916 9.1444 121.7687 58.9380 30.1162 176.3745 122 K 4.7943 8.6600 117.3077 53.7897 36.4167 175.6757 123 A 4.4476 8.3369 123.1363 52.2502 18.8922 176.1479 124 D 4.8941 9.5353 122.2655 53.4962 41.7700 176.2515 125 D 4.5266 9.2167 125.8853 53.3142 39.5408 177.0622 126 L 3.5585 9.6650 119.5311 55.6806 39.8014 175.6382 127 G 3.9799 8.8680 105.0124 46.0829 0.0000 174.9736 128 K 4.6399 8.1276 117.3559 55.4195 32.2782 177.1432 129 G 3.7013 8.0465 106.1913 45.7199 0.0000 174.7518 130 G 3.9237 8.4608 109.8759 46.3615 0.0000 173.7224 *131 N 4.6521 7.9615 113.8805 53.6274 40.2234 179.3236 *135 T 4.1835 7.5416 111.0781 61.7036 68.1091 173.3278 136 K 4.5673 8.5128 123.3566 56.2800 33.8739 176.9971 137 T 4.0116 7.9658 107.4537 60.6963 70.7588 175.2856 138 G 3.8804 8.0211 109.2775 44.3109 0.0000 172.8119 139 N 4.2724 7.7252 114.6810 54.3320 36.6132 174.6807 140 A 4.5440 7.4623 117.7962 51.1093 19.6608 179.7571 141 G 3.7266 7.9232 105.2404 45.0165 0.0000 173.7508 142 S 4.3770 8.6861 114.3172 58.4823 64.6740 174.4272 143 R 4.3012 8.4028 120.3788 55.5355 29.3109 176.3530 144 L 4.3095 8.8960 126.0137 57.4054 43.0789 177.1636 145 A 4.8065 7.7199 117.7069 51.4920 22.6705 174.0222 146 C 5.4932 8.4879 113.3532 56.1051 46.5963 172.6451 147 G 4.7068 8.0805 104.4683 46.2308 0.0000 172.3695 148 V 4.5314 8.2392 120.6216 62.1684 32.7926 175.4397 149 I 4.1682 8.7827 129.5251 60.9573 38.0206 175.3531 150 G 4.4374 8.9737 114.5062 43.8622 0.0000 172.1866 151 I 4.3188 8.2904 121.2411 61.1851 37.6778 175.4063 152 A 4.8168 8.6071 127.2351 49.8069 22.6204 175.9596 153 Q 4.0868 8.5373 118.5503 56.4397 29.2260 175.6664 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 A 8.26 4.43 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 2 T 8.33 3.95 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 3 K 9.08 5.35 0.00 1.87 1.73 0.00 1.71 0.00 0.00 1.97 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.57 1.67 7.81 4 A 9.14 5.38 1.15 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 0.00 0.00 5 V 8.85 5.01 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 0.81 0.00 0.00 0.92 0.00 0.00 6 C 9.16 4.95 0.00 3.15 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 7 V 8.45 4.59 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 0.94 0.00 0.00 0.92 0.00 0.00 8 L 8.80 4.81 0.00 1.73 1.59 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.18 4.85 0.00 1.68 1.62 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81 10 G 7.99 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.79 4.62 0.00 2.68 2.73 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 12 G 7.58 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 0.00 0.00 0.00 0.00 13 P 0.00 4.39 0.00 2.22 2.29 0.00 3.69 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 2.19 1.94 0.00 14 V 7.82 4.61 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 0.67 0.00 0.00 0.97 0.00 0.00 15 Q 8.36 4.86 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 16 G 8.41 4.30 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 0.00 17 I 8.26 5.07 1.80 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 1.19 1.16 0.81 0.00 0.00 18 I 8.73 4.66 1.82 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 1.25 1.20 0.42 0.00 0.00 19 N 8.39 4.93 0.00 1.44 1.42 0.00 0.00 6.36 8.68 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 20 F 8.89 5.47 0.00 2.92 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 21 E 9.77 5.28 0.00 2.46 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 2.30 2.39 0.00 22 Q 9.36 4.90 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 23 K 9.06 4.12 0.00 1.81 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.44 7.81 24 E 7.77 4.81 0.00 2.20 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 2.27 2.40 0.00 25 S 8.80 4.08 0.00 4.01 4.06 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 26 N 8.19 4.64 0.00 2.85 2.96 0.00 0.00 5.88 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 27 G 7.80 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.13 2.10 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 V 8.91 4.59 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 1.29 0.00 0.00 1.04 0.00 0.00 30 K 9.37 4.78 0.00 1.86 1.84 0.00 1.83 0.00 0.00 1.94 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.52 1.25 7.81 31 V 9.21 4.91 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 0.68 0.00 0.00 1.11 0.00 0.00 32 W 7.96 6.01 0.00 3.46 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 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 34 S 7.71 5.09 0.00 3.86 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 35 I 8.65 4.92 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.87 0.00 0.00 36 K 9.29 4.66 0.00 1.62 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.34 7.81 37 G 8.64 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 0.00 0.00 0.00 38 L 7.55 4.47 0.00 1.77 1.37 0.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.13 4.30 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 1.24 0.00 0.00 40 E 8.59 4.12 0.00 1.95 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 2.30 2.49 0.00 41 G 8.49 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 42 L 8.20 4.89 0.00 1.50 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.23 4.99 0.00 3.00 3.31 0.00 5.63 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 44 G 9.25 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.07 5.51 0.00 2.95 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 46 H 9.05 5.23 0.00 3.13 2.91 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.59 4.50 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 0.84 0.00 0.00 0.88 0.00 0.00 48 H 9.42 5.10 0.00 3.05 3.42 0.00 5.68 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 49 E 8.90 3.71 0.00 1.67 1.12 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 1.47 2.03 0.00 50 F 8.24 4.96 0.00 3.01 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 51 G 8.41 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.99 4.78 0.00 2.62 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 53 N 8.71 5.49 0.00 2.72 2.77 0.00 0.00 7.30 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 T 8.43 3.95 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 1.25 0.00 0.00 55 A 8.13 4.74 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 56 G 7.79 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 0.00 0.00 0.00 57 C 8.61 4.50 0.00 2.98 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 58 T 7.60 3.80 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 1.23 0.00 0.00 59 S 7.85 4.60 0.00 4.13 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 60 A 7.41 4.33 1.35 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 0.00 0.00 0.00 61 G 7.83 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 0.00 0.00 0.00 62 P 0.00 4.72 0.00 2.04 2.20 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 63 H 8.43 4.40 0.00 2.81 3.18 0.00 5.72 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 64 F 9.19 4.27 0.00 2.88 2.93 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 65 N 7.84 5.17 0.00 2.63 2.43 0.00 0.00 6.96 7.71 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 66 P 0.00 4.12 0.00 2.05 1.90 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.00 67 L 7.60 4.26 0.00 1.56 1.69 0.91 0.89 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 68 S 7.45 3.61 0.00 4.01 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 69 R 8.05 4.54 0.00 1.90 1.97 0.00 3.48 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 70 K 9.03 4.36 0.00 1.72 1.68 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.50 7.81 71 H 8.42 4.06 0.00 3.13 3.33 0.00 5.96 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.85 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 0.00 0.00 0.00 73 G 8.99 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 0.00 0.00 0.00 74 P 0.00 4.32 0.00 2.23 2.26 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 75 K 7.92 4.39 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 76 D 7.66 4.78 0.00 2.82 2.56 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 0.00 0.00 0.00 0.00 77 E 8.78 3.92 0.00 1.94 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 2.31 2.29 0.00 78 E 7.93 4.28 0.00 1.88 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 2.22 2.45 0.00 79 R 7.68 4.92 0.00 1.84 1.87 0.00 2.88 0.00 0.00 2.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 80 H 9.21 4.50 0.00 3.47 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.34 3.48 1.57 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 0.77 0.00 0.00 0.47 0.00 0.00 82 G 8.43 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.09 4.94 0.00 2.71 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 84 L 8.49 4.51 0.00 1.70 1.89 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.48 4.06 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 0.00 0.00 0.00 86 N 8.66 5.65 0.00 2.58 2.69 0.00 0.00 6.62 7.68 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 87 V 8.58 4.39 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 -0.09 0.00 0.00 0.79 0.00 0.00 88 T 8.17 5.05 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 89 A 9.05 4.97 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 90 D 8.90 4.97 0.00 2.82 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 K 8.47 4.14 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.30 4.55 0.00 2.83 2.73 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 93 G 8.51 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 0.00 0.00 0.00 0.00 94 V 8.24 4.63 2.35 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 0.85 0.00 0.00 0.92 0.00 0.00 95 A 9.17 5.43 1.16 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 96 D 8.65 4.84 0.00 2.67 2.56 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 0.00 0.00 0.00 0.00 97 V 8.82 4.25 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 0.77 0.00 0.00 0.67 0.00 0.00 98 S 8.60 5.03 0.00 3.90 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 99 I 9.33 4.83 2.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 1.02 0.00 0.00 100 E 8.82 5.15 0.00 1.95 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 2.20 2.31 0.00 101 D 9.43 5.02 0.00 2.78 2.53 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 0.00 102 S 8.96 4.67 0.00 4.03 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 0.00 103 V 7.98 4.05 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 0.85 0.00 0.00 0.96 0.00 0.00 104 I 7.79 4.07 1.94 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.81 1.04 0.00 0.00 105 S 8.23 4.66 0.00 3.80 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 0.00 106 L 8.97 4.56 0.00 1.77 1.64 1.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.94 4.44 0.00 3.95 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 0.00 108 G 8.47 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.63 4.45 0.00 2.86 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 0.00 110 H 8.13 4.65 0.00 3.25 3.44 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 *112 I 8.12 3.77 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.29 0.98 0.00 0.00 113 I 7.39 3.67 1.77 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 1.21 0.37 0.84 0.00 0.00 114 G 9.34 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 0.00 115 R 7.46 4.90 0.00 1.57 1.81 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.31 0.00 116 T 7.94 4.98 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 1.25 0.00 0.00 117 L 8.59 4.77 0.00 1.80 1.54 0.46 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.95 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 0.76 0.00 0.00 0.78 0.00 0.00 119 V 8.64 5.11 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 0.77 0.00 0.00 0.97 0.00 0.00 120 H 8.96 5.29 0.00 3.21 3.60 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.14 4.19 0.00 2.02 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 2.36 2.34 0.00 122 K 8.66 4.79 0.00 1.67 1.68 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.49 7.81 123 A 8.34 4.45 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 0.00 124 D 9.54 4.89 0.00 2.70 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 0.00 125 D 9.22 4.53 0.00 2.94 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 0.00 126 L 9.66 3.56 0.00 1.88 1.84 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.87 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 0.00 128 K 8.13 4.64 0.00 1.79 1.76 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.51 7.81 129 G 8.05 3.70 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 0.00 0.00 0.00 130 G 8.46 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 *131 N 7.96 4.65 0.00 2.71 2.67 0.00 0.00 6.69 7.71 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 *135 T 7.54 4.18 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 1.25 0.00 0.00 136 K 8.51 4.57 0.00 1.70 1.74 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.37 7.81 137 T 7.97 4.01 4.19 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 0.00 0.00 0.00 1.13 0.00 0.00 138 G 8.02 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.73 4.27 0.00 2.91 2.92 0.00 0.00 6.85 7.43 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 0.00 140 A 7.46 4.54 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 0.00 141 G 7.92 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 0.00 142 S 8.69 4.38 0.00 3.92 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 0.00 143 R 8.40 4.30 0.00 1.69 1.87 0.00 3.25 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 144 L 8.90 4.31 0.00 1.73 1.70 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.72 4.81 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 0.00 146 C 8.49 5.49 0.00 3.03 3.13 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 0.00 0.00 0.00 0.00 147 G 8.08 4.71 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 0.00 148 V 8.24 4.53 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 0.83 0.00 0.00 0.95 0.00 0.00 149 I 8.78 4.17 1.80 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.41 0.46 0.00 0.00 150 G 8.97 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.29 4.32 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.61 4.82 1.20 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 0.00 0.00 0.00 153 Q 8.54 4.09 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.