NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4563 8.4045 118.1953 55.0606 32.5626 174.9851 2 R 4.2821 9.0527 119.9761 54.7487 30.5924 175.5840 3 H 5.0253 9.3469 121.5873 53.6321 31.2297 174.7795 4 I 4.2607 8.2408 121.7289 61.3108 37.9572 176.3588 5 S 4.8684 8.1904 117.1850 55.9517 66.3922 173.3848 6 P 4.2266 0.0000 0.0000 66.3221 31.1139 178.7426 7 E 3.9863 8.1261 116.4709 59.4506 29.4290 179.1180 8 E 3.9997 7.9372 117.9807 59.0980 29.5709 179.2427 9 L 3.9594 8.0605 120.6938 58.1790 42.2570 179.0793 10 I 3.7709 8.1487 113.2612 63.8517 37.1607 178.0603 11 A 4.3181 8.1948 123.4044 54.4366 18.3771 179.3557 12 L 4.1205 7.9429 116.7478 58.6424 40.6686 178.6370 13 H 4.6911 8.1989 120.4908 57.9084 30.5693 176.0028 14 D 4.3849 8.2027 127.2882 54.3002 38.1763 175.7429 15 A 5.1176 8.1385 135.0000 52.8427 20.1495 176.8806 *30 G 3.8495 7.2444 110.1671 45.7008 0.0000 172.1164 31 R 4.6705 8.2477 118.5697 54.4946 34.4812 175.4467 32 A 4.5223 8.5366 125.5802 51.0505 18.6094 176.1077 33 E 4.5891 7.8073 116.8639 55.4007 33.4117 179.6678 34 A 4.0798 7.9589 119.4681 55.1775 18.3806 179.6221 35 I 3.6672 7.5411 111.3096 64.1817 37.7972 178.2506 36 I 3.7049 7.8296 121.6645 63.9398 37.0160 177.9342 37 G 3.8810 8.2220 108.7946 48.9978 0.0000 176.2496 38 R 3.9589 8.6205 123.6526 60.7264 29.6404 180.9754 39 V 3.7404 8.1058 119.0957 66.0584 31.6778 178.1460 40 Q 3.9518 8.4259 117.9348 59.0335 28.4665 178.8578 41 A 4.1939 8.3135 123.8780 55.2882 18.3452 180.4497 42 R 4.0466 7.8981 119.6336 61.4039 29.6265 183.6501 43 V 3.9251 7.7351 111.4620 63.5240 31.5015 178.5245 44 A 3.9588 7.8869 120.7819 55.3025 18.1319 179.0697 45 Y 3.9226 7.9446 113.7115 61.4581 37.9604 177.8034 46 E 4.2057 8.7227 118.4343 56.4691 30.3876 176.8009 *47 E 3.7191 7.4288 113.8255 56.7267 27.0699 179.8861 48 I 4.3531 7.9405 121.0660 60.5389 38.6155 176.4667 49 T 4.3041 8.3698 119.2643 62.5736 69.1187 174.2834 50 D 4.5312 7.9433 121.4401 53.6417 42.0695 176.3474 51 L 3.8826 8.5038 127.5826 58.0783 41.6375 179.5195 52 F 4.1941 7.9809 117.0523 60.0790 39.0316 177.3379 53 E 3.9700 7.9727 117.9553 59.3853 29.5102 179.0657 54 V 3.6461 7.8144 118.3443 65.8305 31.5557 177.9279 55 S 4.1963 8.4696 113.0301 61.4932 62.3408 176.0090 56 A 4.1153 8.3093 123.4443 55.5467 17.9404 179.7817 57 T 3.9205 7.8622 114.0451 66.7702 68.4452 176.6740 58 Y 3.9648 8.1997 118.8302 60.8646 37.8850 178.4819 59 L 4.0080 8.0461 121.1386 58.2093 42.1495 179.2179 60 V 3.5697 7.8821 117.8650 66.1152 31.4021 177.9242 61 A 4.0142 8.3078 120.6562 55.1417 18.1927 179.8689 62 T 3.8422 8.4114 114.7951 66.8444 68.3824 176.9412 63 A 4.1595 7.7608 120.9807 54.8932 18.4486 179.3195 64 R 4.2069 7.6376 115.6674 55.0168 30.6115 176.8080 65 G 4.1702 8.4053 104.4267 45.2448 0.0000 175.1657 66 Y 4.6314 5.3700 118.0125 57.2930 38.5544 176.3789 67 I 4.2127 7.7337 122.9941 60.9424 38.3525 176.5972 *68 F 4.9032 8.3557 123.2097 54.6513 41.4783 172.1082 69 N 4.7957 8.4885 121.7655 52.8101 37.2657 173.4463 70 D 5.0892 7.5011 120.8347 50.8816 43.0583 176.2815 71 A 3.9800 8.8834 119.1427 56.1808 18.3108 179.5813 72 N 4.2796 8.1383 114.1923 56.3584 38.7724 177.6019 73 K 3.9766 8.3381 122.7289 60.3370 32.5006 179.4285 74 R 4.0129 7.9831 120.8905 61.7711 28.8682 180.7271 75 T 4.0438 8.4444 116.0902 66.5299 68.0916 176.3671 76 A 4.0088 7.8395 122.4828 55.2166 18.3400 179.5505 77 L 3.7927 7.7962 118.0839 58.5165 42.3040 178.6838 78 N 4.3538 8.6552 117.0883 56.5227 38.4416 177.5009 79 S 4.3288 8.4336 115.4687 61.2744 63.1184 176.4815 80 A 4.0982 7.6515 124.1849 54.8782 18.1038 179.6091 81 L 3.9308 7.8450 117.2520 57.5684 41.7264 179.3962 82 L 3.8940 8.5401 120.8077 57.9017 41.8108 178.4592 83 F 4.0974 7.9313 119.5554 61.4666 39.6010 176.6383 84 L 3.8085 7.7593 117.6149 58.0336 41.5012 179.5997 85 R 3.9636 8.0133 117.8965 59.7239 29.8356 179.2432 86 R 4.0478 7.8130 115.8335 57.8762 30.0009 177.6378 87 N 4.8321 7.4315 115.6273 52.5652 39.6769 175.5333 88 G 3.8074 7.6365 106.9637 45.8005 0.0000 174.4132 89 V 3.8377 7.3311 119.2435 61.6735 32.2173 175.7447 90 Q 4.1302 8.6454 126.9221 55.7817 29.1571 175.8608 91 V 3.7618 7.9565 121.6650 59.6517 34.2808 174.5334 92 F 4.9371 7.2294 114.0228 55.3454 40.4344 173.4895 93 D 4.5576 8.7809 121.8294 54.4246 42.0419 175.5085 94 S 4.9074 8.3851 119.0810 55.6627 65.5902 172.7998 95 P 4.3422 0.0000 0.0000 65.8802 31.3014 178.3819 96 E 4.0530 8.1309 116.6808 58.5423 29.2987 178.9332 97 L 4.0161 7.9059 119.1847 57.2710 41.7498 179.2185 98 A 4.0245 7.6579 123.6007 56.0580 18.4748 180.1900 99 D 4.4750 8.0491 118.9481 57.9304 39.8238 180.1437 100 L 4.1120 7.6275 120.1853 58.8207 42.0483 179.1856 101 T 3.8371 7.6781 115.1468 66.6062 68.4252 176.7783 102 V 3.6720 7.4376 118.9903 66.0875 31.6150 178.2965 103 G 3.6187 8.0768 105.1478 47.5665 0.0000 175.5244 104 A 4.2184 8.5689 124.3521 54.5559 18.2613 179.5163 105 A 4.0008 8.1261 118.4861 54.9940 18.9137 178.9720 106 T 4.3356 8.0367 106.0017 61.1829 69.1617 176.6608 107 G 4.0027 7.9405 109.3504 45.8457 0.0000 174.6250 108 E 3.9803 7.7197 119.3488 58.0142 30.0584 176.6859 109 I 4.4082 7.7163 120.6524 58.9785 38.9655 175.5784 110 S 4.4396 8.3767 120.6515 57.8599 65.2075 175.0730 111 V 3.5190 8.3489 121.7195 66.4518 30.7232 178.1931 112 S 4.1374 7.9683 112.3564 61.2289 62.3053 175.9286 113 S 4.2394 7.7473 116.7672 60.7992 62.6477 176.7292 114 V 3.5673 8.0906 121.4505 65.8995 31.1761 177.9491 115 A 4.0174 7.9687 120.4036 55.2170 18.1347 179.2632 116 D 4.3038 7.8222 117.0538 57.8260 40.8106 179.3109 117 T 3.8135 7.7326 115.7103 66.6189 68.4393 176.8075 118 L 3.8457 7.8363 120.9193 57.7408 41.6569 179.6805 119 R 3.9029 8.3253 118.9399 59.3589 29.8445 178.4166 120 R 3.8778 8.0037 117.7140 59.5945 30.1256 178.2120 121 L 4.0350 7.7671 117.6952 57.0014 41.5645 177.5046 122 Y 4.9051 7.8739 113.8935 57.9722 40.2735 176.1810 123 G 3.8963 8.4670 110.8868 45.5972 0.0000 174.4715 124 S 4.4016 8.4844 114.7854 58.2635 62.4482 170.0253 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.40 4.46 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 2 R 9.05 4.28 0.00 1.84 1.76 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 3 H 9.35 5.03 0.00 3.21 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.24 4.26 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.61 0.95 0.00 0.00 5 S 8.19 4.87 0.00 4.03 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 6 P 0.00 4.23 0.00 2.18 2.18 0.00 3.61 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 2.13 2.21 0.00 7 E 8.13 3.99 0.00 2.06 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 2.40 2.46 0.00 8 E 7.94 4.00 0.00 2.26 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 2.34 2.33 0.00 9 L 8.06 3.96 0.00 1.78 1.84 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.15 3.77 1.89 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 1.47 0.38 0.97 0.00 0.00 11 A 8.19 4.32 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 12 L 7.94 4.12 0.00 1.81 1.83 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.20 4.69 0.00 3.27 3.57 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.20 4.38 0.00 2.87 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 15 A 8.14 5.12 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 *30 G 7.24 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 31 R 8.25 4.67 0.00 1.74 1.85 0.00 3.34 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 32 A 8.54 4.52 0.99 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 33 E 7.81 4.59 0.00 1.86 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 2.19 1.83 0.00 34 A 7.96 4.08 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 35 I 7.54 3.67 1.92 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 1.63 0.97 0.66 0.00 0.00 36 I 7.83 3.70 2.03 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 1.75 0.61 0.98 0.00 0.00 37 G 8.22 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 38 R 8.62 3.96 0.00 1.81 1.87 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 39 V 8.11 3.74 1.69 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 0.37 0.00 0.00 0.52 0.00 0.00 40 Q 8.43 3.95 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 41 A 8.31 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.05 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 43 V 7.74 3.93 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 0.89 0.00 0.00 0.99 0.00 0.00 44 A 7.89 3.96 1.32 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 0.00 0.00 0.00 45 Y 7.94 3.92 0.00 3.18 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 46 E 8.72 4.21 0.00 2.13 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 2.33 2.27 0.00 *47 E 7.43 3.72 0.00 2.26 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 48 I 7.94 4.35 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.96 0.00 0.00 49 T 8.37 4.30 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 50 D 7.94 4.53 0.00 2.89 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 51 L 8.50 3.88 0.00 1.14 1.25 0.75 1.04 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 52 F 7.98 4.19 0.00 3.14 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 53 E 7.97 3.97 0.00 2.43 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 2.34 2.39 0.00 54 V 7.81 3.65 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 1.07 0.00 0.00 0.98 0.00 0.00 55 S 8.47 4.20 0.00 4.00 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 56 A 8.31 4.12 1.46 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 57 T 7.86 3.92 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 1.11 0.00 0.00 58 Y 8.20 3.96 0.00 3.22 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 59 L 8.05 4.01 0.00 1.92 1.87 0.96 0.70 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 60 V 7.88 3.57 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 0.95 0.00 0.00 1.00 0.00 0.00 61 A 8.31 4.01 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 62 T 8.41 3.84 4.36 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 1.43 0.00 0.00 63 A 7.76 4.16 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 64 R 7.64 4.21 0.00 1.82 1.99 0.00 3.14 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 65 G 8.41 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 5.37 4.63 0.00 3.05 2.91 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 67 I 7.73 4.21 1.89 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 1.31 0.64 0.93 0.00 0.00 *68 F 8.36 4.90 0.00 2.25 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 0.00 0.00 0.00 69 N 8.49 4.80 0.00 2.67 2.80 0.00 0.00 6.80 8.47 0.00 0.00 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 D 7.50 5.09 0.00 2.91 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 71 A 8.88 3.98 1.36 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 72 N 8.14 4.28 0.00 2.92 2.90 0.00 0.00 6.74 6.47 0.00 0.00 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 K 8.34 3.98 0.00 1.84 1.96 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.52 7.81 74 R 7.98 4.01 0.00 1.88 1.94 0.00 3.33 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 75 T 8.44 4.04 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 1.19 0.00 0.00 76 A 7.84 4.01 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 77 L 7.80 3.79 0.00 1.83 1.82 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.66 4.35 0.00 2.79 2.88 0.00 0.00 6.85 7.60 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 79 S 8.43 4.33 0.00 4.06 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 0.00 80 A 7.65 4.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.85 3.93 0.00 1.85 1.66 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.54 3.89 0.00 1.83 1.75 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.93 4.10 0.00 3.06 3.32 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 0.00 84 L 7.76 3.81 0.00 1.78 1.54 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.01 3.96 0.00 1.92 1.92 0.00 3.06 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 86 R 7.81 4.05 0.00 1.78 1.89 0.00 3.26 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 87 N 7.43 4.83 0.00 2.29 2.56 0.00 0.00 7.00 6.93 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 88 G 7.64 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 89 V 7.33 3.84 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 0.77 0.00 0.00 0.88 0.00 0.00 90 Q 8.65 4.13 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 91 V 7.96 3.76 1.72 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 0.60 0.00 0.00 -0.20 0.00 0.00 92 F 7.23 4.94 0.00 3.21 3.11 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 93 D 8.78 4.56 0.00 2.75 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 94 S 8.39 4.91 0.00 3.95 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.34 0.00 2.23 2.12 0.00 3.72 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 2.15 2.15 0.00 96 E 8.13 4.05 0.00 1.98 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 2.39 2.40 0.00 97 L 7.91 4.02 0.00 1.84 1.74 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.66 4.02 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 99 D 8.05 4.48 0.00 2.70 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 0.00 100 L 7.63 4.11 0.00 1.93 1.90 0.91 0.75 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 0.00 101 T 7.68 3.84 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 1.27 0.00 0.00 102 V 7.44 3.67 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 1.01 0.00 0.00 0.98 0.00 0.00 103 G 8.08 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.22 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 0.00 105 A 8.13 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 4.34 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 1.24 0.00 0.00 107 G 7.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 3.98 0.00 2.29 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 2.32 2.15 0.00 109 I 7.72 4.41 1.77 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 1.34 1.09 0.90 0.00 0.00 110 S 8.38 4.44 0.00 4.04 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 0.00 111 V 8.35 3.52 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 1.00 0.00 0.00 0.92 0.00 0.00 112 S 7.97 4.14 0.00 3.92 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 0.00 113 S 7.75 4.24 0.00 3.93 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 0.00 114 V 8.09 3.57 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 1.01 0.00 0.00 0.95 0.00 0.00 115 A 7.97 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 4.30 0.00 2.83 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 0.00 117 T 7.73 3.81 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 1.14 0.00 0.00 118 L 7.84 3.85 0.00 1.78 1.91 0.99 1.01 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 0.00 119 R 8.33 3.90 0.00 1.89 2.02 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 120 R 8.00 3.88 0.00 1.80 2.14 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 121 L 7.77 4.03 0.00 0.83 0.28 0.51 0.81 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 0.00 122 Y 7.87 4.91 0.00 3.01 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 0.00 123 G 8.47 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 0.00 124 S 8.48 4.40 0.00 3.64 3.64 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 * Residues marked with a * may have inaccurate shift predictions.