NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3608 8.3193 115.3952 58.1598 64.3547 172.4397 6 I 4.5516 7.9642 114.7978 59.0801 39.9127 173.1691 7 I 4.2409 8.4219 125.3982 59.7640 39.5758 175.7103 8 E 4.4141 8.5643 127.9499 56.0056 30.0117 175.8542 9 F 5.4674 8.9976 126.1861 56.6303 41.2457 174.8480 10 E 5.0017 8.8354 117.4486 54.3998 34.1414 175.7868 11 D 4.3432 10.0724 121.1498 56.1964 41.3818 178.7746 *13 T 4.3584 7.8682 108.1761 60.5042 70.6884 174.9975 14 W 4.0921 8.3248 133.2962 61.1614 30.5191 177.8367 15 S 4.4969 8.1672 114.6812 60.4997 62.1737 176.1844 16 Q 4.0147 7.8690 120.6638 58.4977 29.1082 177.8705 17 Q 3.9992 7.8080 117.0495 57.9063 29.1033 177.1277 18 V 3.2911 7.1968 117.6066 64.3546 32.4663 177.7284 19 E 3.8329 7.3353 117.5117 59.0487 29.6924 177.8575 20 D 4.7191 7.7919 115.7881 54.0515 41.3025 176.0361 21 S 4.2132 7.5280 113.1327 58.4348 63.0054 174.0030 22 K 4.1186 8.5875 128.3509 59.0575 32.4092 177.7534 23 K 4.2074 7.7320 116.6459 55.2709 32.7906 174.8675 24 P 4.4961 0.0000 0.0000 62.9873 32.8888 174.9620 25 V 4.7600 8.1958 120.5748 60.9289 34.6380 174.3667 26 V 4.8291 8.5878 127.8231 60.3293 33.6175 174.7563 27 V 5.3758 9.0354 127.6842 60.4533 35.4309 173.2249 *29 F 4.9503 8.4909 117.3175 57.8893 40.3896 173.9259 30 Y 5.2488 8.8061 121.1299 55.2082 42.3073 174.0449 31 S 4.8132 8.4869 113.2511 55.8276 65.3557 173.1688 32 P 4.4505 0.0000 0.0000 65.0296 31.3497 176.8368 33 A 4.5096 7.5910 119.8315 51.9651 19.0254 176.3667 34 C 4.7081 7.8294 119.3647 58.1162 33.7043 172.9305 35 P 4.2366 0.0000 0.0000 65.5883 30.7695 178.0866 36 Y 4.5491 7.2782 115.9204 61.0747 38.0728 177.0165 37 C 4.4026 8.1367 116.4673 62.6525 28.4059 175.4967 38 K 4.1059 7.8106 119.6405 59.3793 31.8217 179.3851 39 A 4.1373 7.6441 116.0896 53.0184 18.2457 178.2086 *41 E 4.4590 8.1156 120.5106 57.3225 31.6181 176.6429 42 P 4.0376 0.0000 0.0000 66.0291 31.0112 178.0372 43 Y 3.6259 7.2082 115.8271 60.5997 37.9389 177.5490 44 F 4.1536 8.2508 121.1114 61.4925 39.4697 176.6536 45 E 3.7420 8.4987 119.1637 58.9226 29.3709 178.3316 46 E 3.7162 8.0560 119.6714 59.5286 29.7213 178.4769 47 Y 4.2119 7.6564 116.8451 60.8991 37.7162 178.5124 48 A 2.0000 7.2388 121.7177 54.0336 18.1061 179.6655 49 K 3.6955 7.3881 117.1922 59.6760 32.3871 178.6637 50 E 3.9190 8.0600 117.9653 58.5157 29.4519 177.5417 51 Y 5.0316 7.3088 114.8927 57.6124 38.7331 177.6562 52 G 4.0765 7.7692 112.4059 48.7535 0.0000 175.5126 53 S 4.4850 8.0590 112.2440 59.5353 63.8583 175.2150 54 S 4.4399 8.1310 116.5072 60.4410 63.1874 173.8773 55 A 4.7802 7.6654 118.8291 50.6225 22.0963 175.8934 56 V 4.1938 8.7173 120.6600 62.1775 33.3947 174.8667 57 F 5.3174 8.9624 125.4606 55.8586 42.0304 174.6126 58 G 4.2331 9.7618 110.0525 45.6383 0.0000 171.2174 59 R 5.0040 8.4838 114.9695 55.0093 33.4692 174.0943 60 I 4.9398 8.2290 119.5424 59.3192 41.7423 173.5253 61 N 3.6812 8.6019 128.3345 52.8612 37.5393 175.3656 62 I 3.8532 8.2806 120.7104 63.1521 37.6724 177.8166 63 A 4.1621 8.2381 122.2815 54.2033 18.2932 178.2248 64 T 4.4596 7.2574 108.5814 61.4579 69.9165 173.9350 65 N 5.2159 7.5216 117.6546 50.8126 39.0311 173.2091 66 P 3.9769 0.0000 0.0000 65.0866 31.7891 178.9685 67 W 4.0132 8.1819 119.0970 59.9671 29.0572 178.6135 68 T 3.6183 8.4252 109.5479 64.3760 68.0853 176.4319 69 A 3.9867 7.5832 123.4824 55.0751 18.4537 179.2659 70 E 3.7710 8.1506 117.7637 59.1902 29.5096 178.8534 71 K 3.7501 7.8774 118.8007 58.8214 32.2154 177.3779 72 Y 4.6306 7.5090 113.7292 56.3057 39.0618 175.5989 73 G 3.7793 7.5956 107.5056 46.3906 0.0000 174.8461 74 V 3.7265 8.1929 118.1365 62.1115 32.2385 175.3089 75 Q 4.5075 8.3015 124.1263 55.3270 30.0844 174.7500 76 G 4.1121 7.3063 105.1892 45.1152 0.0000 172.6570 77 T 4.8085 8.1393 115.4618 60.8203 71.9422 172.5721 78 P 4.7293 0.0000 0.0000 62.9200 33.1942 174.9728 79 T 4.7761 8.0925 117.9527 61.8118 71.2898 173.3209 80 F 5.2641 9.0194 125.2607 55.8699 41.5289 175.0732 81 K 5.1436 9.7476 122.2321 54.5885 36.7540 174.7586 82 F 5.3872 9.0253 124.6767 56.5925 42.0508 174.1589 83 F 5.4538 8.9254 124.1163 55.9117 43.1209 174.1104 84 C 4.9402 8.9613 119.6841 57.9470 31.0108 173.8712 85 H 4.1582 10.0723 121.4580 56.3103 26.9835 176.0754 86 G 4.0021 8.6052 107.6040 46.3661 0.0000 174.0600 87 R 4.6185 7.9270 120.0681 54.2111 31.1376 174.3534 88 P 4.3652 0.0000 0.0000 62.6224 31.9603 176.4202 89 V 4.5114 8.3727 114.1959 61.4365 34.3829 175.6166 90 W 5.0772 7.9396 128.1310 56.5392 33.8120 172.7903 91 E 4.1016 7.5498 121.6011 54.9675 32.2791 173.8309 92 Q 4.3493 8.1169 120.7470 54.5154 32.9713 173.3823 93 V 4.6874 8.4694 125.0756 62.3249 33.8322 175.2433 94 G 4.0008 8.9633 113.7663 44.4300 0.0000 173.1315 95 Q 4.3008 8.3540 120.8129 55.9223 29.5426 175.3278 96 I 4.7863 8.0450 117.0577 58.7515 41.2055 174.0049 97 Y 4.1543 8.5965 122.2043 57.1847 39.1409 175.3777 98 P 4.2099 0.0000 0.0000 65.8992 31.3032 178.7204 99 S 4.0610 7.2624 114.1535 60.9396 62.7826 176.4589 100 I 3.7457 7.6111 122.7676 64.2483 36.8496 178.0896 101 L 4.0865 7.8677 120.7776 57.8819 42.0096 178.5417 102 K 3.3464 7.8144 119.6216 59.5277 31.9356 178.5494 103 N 4.2042 8.2225 116.4498 55.9002 38.2177 177.1626 104 A 3.4634 7.3496 120.9595 55.0040 18.4033 179.5040 105 V 3.3979 7.1310 115.1451 65.9942 31.8305 177.8699 106 R 3.6844 7.7807 118.3397 59.3025 29.7773 178.5030 107 D 4.3915 7.6285 114.3185 55.4789 40.1991 177.9992 *109 L 4.3200 7.7959 121.4554 54.4317 43.4309 178.4461 110 Q 4.2609 7.4976 114.7023 57.2175 29.5093 176.4762 111 H 4.8782 8.2305 116.4290 55.0630 30.3705 176.0224 112 G 3.5743 7.8077 108.1810 47.6886 0.0000 174.9618 113 E 4.0038 8.2942 121.9922 59.1351 29.6719 178.7540 114 E 4.0681 8.1700 116.7867 59.4103 29.4698 178.5388 115 C 4.1332 7.9443 117.2171 62.9438 28.2652 175.7941 116 I 3.9900 7.6036 120.1633 64.0974 36.8187 178.0832 117 R 4.0591 7.9907 119.0039 58.4539 31.1067 178.0491 118 K 4.4984 7.8826 119.4518 53.6815 29.7223 175.8954 119 S 4.6459 6.9016 111.8233 57.4945 66.2566 174.0924 120 T 4.5490 8.1762 118.3035 60.9224 70.3397 173.0092 121 P 4.3983 0.0000 0.0000 62.4990 32.0093 177.6572 122 V 3.7212 8.6438 121.7856 64.9526 31.1633 177.0992 123 G 3.9741 8.0027 107.0017 45.1314 0.0000 173.0916 124 Q 4.1723 7.6224 125.6998 56.4346 29.5796 173.6315 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 5 S 8.32 4.36 0.00 3.94 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 6 I 7.96 4.55 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.90 0.00 0.00 7 I 8.42 4.24 1.26 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.66 0.82 0.00 0.00 8 E 8.56 4.41 0.00 1.94 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 0.00 2.35 2.48 0.00 9 F 9.00 5.47 0.00 3.11 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 10 E 8.84 5.00 0.00 1.97 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 2.38 2.39 0.00 11 D 10.07 4.34 0.00 2.76 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 *13 T 7.87 4.36 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 1.26 0.00 0.00 14 W 8.32 4.09 0.00 3.71 3.21 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 15 S 8.17 4.50 0.00 4.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.87 4.01 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 17 Q 7.81 4.00 0.00 1.62 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 18 V 7.20 3.29 0.67 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 -0.29 0.00 0.00 -1.56 0.00 0.00 19 E 7.34 3.83 0.00 2.21 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 2.50 2.25 0.00 20 D 7.79 4.72 0.00 2.72 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 21 S 7.53 4.21 0.00 3.87 3.72 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 22 K 8.59 4.12 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.46 7.81 23 K 7.73 4.21 0.00 1.78 1.71 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.65 1.44 7.81 24 P 0.00 4.50 0.00 1.59 2.17 0.00 3.77 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 2.14 2.07 0.00 25 V 8.20 4.76 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 0.87 0.00 0.00 0.73 0.00 0.00 26 V 8.59 4.83 2.23 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 0.02 0.00 0.00 1.50 0.00 0.00 27 V 9.04 5.38 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 1.21 0.00 0.00 1.04 0.00 0.00 *29 F 8.49 4.95 0.00 3.06 3.04 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 30 Y 8.81 5.25 0.00 3.02 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 31 S 8.49 4.81 0.00 3.84 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 32 P 0.00 4.45 0.00 2.13 2.21 0.00 3.71 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 2.23 0.00 33 A 7.59 4.51 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 34 C 7.83 4.71 0.00 3.06 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.24 0.00 1.84 2.06 0.00 3.39 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.71 0.00 36 Y 7.28 4.55 0.00 3.12 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 37 C 8.14 4.40 0.00 3.22 3.07 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 38 K 7.81 4.11 0.00 1.91 1.98 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 39 A 7.64 4.14 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 4.46 0.00 2.23 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 2.23 2.17 0.00 42 P 0.00 4.04 0.00 1.64 2.02 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.75 0.00 43 Y 7.21 3.63 0.00 2.92 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 44 F 8.25 4.15 0.00 3.34 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 45 E 8.50 3.74 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 46 E 8.06 3.72 0.00 1.95 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 2.26 2.49 0.00 47 Y 7.66 4.21 0.00 2.85 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 48 A 7.24 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.39 3.70 0.00 1.73 1.79 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 50 E 8.06 3.92 0.00 1.16 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 2.11 2.13 0.00 51 Y 7.31 5.03 0.00 3.31 3.03 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 52 G 7.77 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 0.00 0.00 0.00 53 S 8.06 4.49 0.00 4.04 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 54 S 8.13 4.44 0.00 4.00 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 55 A 7.67 4.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.72 4.19 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 1.15 0.00 0.00 0.96 0.00 0.00 57 F 8.96 5.32 0.00 2.92 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 58 G 9.76 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.48 5.00 0.00 1.91 2.03 0.00 2.21 0.00 0.00 2.91 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 60 I 8.23 4.94 2.15 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 1.23 1.57 0.51 0.00 0.00 61 N 8.60 3.68 0.00 2.18 2.48 0.00 0.00 6.98 7.82 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 62 I 8.28 3.85 1.87 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 1.59 0.60 1.07 0.00 0.00 63 A 8.24 4.16 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 64 T 7.26 4.46 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 1.19 0.00 0.00 65 N 7.52 5.22 0.00 2.87 2.93 0.00 0.00 6.60 7.91 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 66 P 0.00 3.98 0.00 1.83 2.09 0.00 3.80 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 1.68 1.79 0.00 67 W 8.18 4.01 0.00 3.70 3.07 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 68 T 8.43 3.62 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 1.06 0.00 0.00 69 A 7.58 3.99 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 70 E 8.15 3.77 0.00 1.98 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 0.00 2.25 2.23 0.00 71 K 7.88 3.75 0.00 1.61 1.41 0.00 1.56 0.00 0.00 1.21 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 1.08 7.81 72 Y 7.51 4.63 0.00 2.89 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 73 G 7.60 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 74 V 8.19 3.73 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 0.62 0.00 0.00 0.07 0.00 0.00 75 Q 8.30 4.51 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 76 G 7.31 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.14 4.81 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 1.32 0.00 0.00 78 P 0.00 4.73 0.00 1.34 2.07 0.00 3.74 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 79 T 8.09 4.78 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 0.98 0.00 0.00 80 F 9.02 5.26 0.00 3.06 3.37 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 81 K 9.75 5.14 0.00 1.93 1.24 0.00 1.40 0.00 0.00 1.17 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.30 7.81 82 F 9.03 5.39 0.00 3.56 3.03 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 83 F 8.93 5.45 0.00 2.72 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 C 8.96 4.94 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 85 H 10.07 4.16 0.00 3.36 3.45 0.00 5.72 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 86 G 8.61 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 87 R 7.93 4.62 0.00 2.02 1.95 0.00 3.42 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 88 P 0.00 4.37 0.00 2.00 1.62 0.00 3.76 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 89 V 8.37 4.51 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 0.94 0.00 0.00 1.05 0.00 0.00 90 W 7.94 5.08 0.00 3.30 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.55 4.10 0.00 1.72 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 0.00 1.89 1.96 0.00 92 Q 8.12 4.35 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 93 V 8.47 4.69 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 0.85 0.00 0.00 0.82 0.00 0.00 94 G 8.96 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 95 Q 8.35 4.30 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 96 I 8.04 4.79 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 1.01 0.00 0.00 97 Y 8.60 4.15 0.00 3.04 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 98 P 0.00 4.21 0.00 1.88 1.51 0.00 2.48 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.00 99 S 7.26 4.06 0.00 3.98 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 0.00 100 I 7.61 3.75 2.17 0.00 0.00 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 1.50 1.21 1.03 0.00 0.00 101 L 7.87 4.09 0.00 1.80 1.90 0.86 0.35 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 0.00 102 K 7.81 3.35 0.00 0.80 1.53 0.00 1.26 0.00 0.00 1.41 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 0.60 7.81 103 N 8.22 4.20 0.00 2.77 2.75 0.00 0.00 6.92 6.61 0.00 0.00 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 7.35 3.46 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.13 3.40 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 1.07 0.00 0.00 1.16 0.00 0.00 106 R 7.78 3.68 0.00 1.94 1.83 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 107 D 7.63 4.39 0.00 2.65 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *109 L 7.80 4.32 0.00 1.64 1.68 0.48 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.50 4.26 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.16 0.00 111 H 8.23 4.88 0.00 3.10 3.24 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.81 3.57 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 0.00 0.00 0.00 113 E 8.29 4.00 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 114 E 8.17 4.07 0.00 2.25 2.20 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 2.45 2.47 0.00 115 C 7.94 4.13 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.60 3.99 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 1.62 0.76 1.00 0.00 0.00 117 R 7.99 4.06 0.00 2.11 2.08 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 118 K 7.88 4.50 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.60 7.81 119 S 6.90 4.65 0.00 3.95 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 0.00 120 T 8.18 4.55 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 1.23 0.00 0.00 121 P 0.00 4.40 0.00 2.20 2.02 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 122 V 8.64 3.72 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 0.72 0.00 0.00 0.95 0.00 0.00 123 G 8.00 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 0.00 124 Q 7.62 4.17 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.49 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.