NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.6670 8.1927 115.5686 57.5632 65.9503 172.7051 6 L 4.4784 7.9168 124.9445 55.3338 43.0303 173.9124 7 Y 5.1243 9.6431 123.4510 56.2361 43.2692 173.7408 8 R 5.2551 8.8967 121.2010 54.5560 33.9329 173.8577 9 L 5.3521 9.1873 126.9176 53.3385 45.7201 174.9163 10 I 5.1548 8.9501 126.8555 59.6985 40.3778 174.2041 11 Y 5.4582 8.7181 124.0388 55.3952 42.1016 174.0361 12 S 5.4213 9.1625 114.4259 56.9451 66.8672 172.7640 13 S 4.9996 9.0168 114.5144 57.6801 67.3312 172.6376 14 Q 4.8131 9.0138 119.6489 54.0078 29.8882 176.0799 15 G 4.3941 9.1183 113.1757 45.6156 0.0000 173.0766 16 I 4.1306 8.7420 116.2508 59.9242 38.2707 175.5664 17 P 4.1608 0.0000 0.0000 65.7674 31.3682 178.5455 18 N 4.3359 7.5455 114.6261 55.5943 38.6149 175.6056 19 L 4.1958 7.4255 118.7660 55.1613 42.1866 176.5892 20 Q 4.7350 9.4405 122.4299 53.1874 31.6774 174.7556 21 P 4.1879 0.0000 0.0000 66.3605 31.1793 178.7084 22 Q 4.0164 8.0301 117.4015 59.0059 28.9082 177.7822 23 D 4.3130 8.1471 120.3548 57.1513 40.7331 178.5967 24 L 3.9473 7.7650 119.0945 57.6570 41.6551 179.3286 25 K 3.9185 8.0444 119.6030 59.3872 32.0593 178.5831 26 D 4.3103 8.3410 119.4690 57.4557 40.7089 178.7108 27 I 3.6023 7.8901 120.4158 64.2996 37.0302 178.1300 28 L 3.9027 8.1158 121.2280 58.3501 41.9388 178.9135 29 E 3.9479 8.5383 118.8109 59.3918 29.3775 179.5046 30 S 4.1165 8.2484 115.5378 61.7065 62.8737 177.0054 31 S 4.1583 8.3218 117.1713 61.5996 62.5540 176.4172 32 Q 4.1321 8.2105 122.0462 57.4298 28.4720 178.2299 33 R 4.0627 7.7357 119.6562 59.2149 30.2931 177.5939 34 N 4.5854 8.2174 115.8730 55.7318 38.8574 177.1980 35 N 4.4199 8.4257 118.2113 55.9322 38.6905 175.4391 36 P 4.2459 0.0000 0.0000 65.7087 31.2588 178.5532 37 A 4.0403 7.9839 118.4809 54.9612 18.4629 177.7138 38 N 4.5670 7.7393 109.6521 52.9579 38.8480 175.7248 39 G 3.9595 7.9065 106.1186 46.3033 0.0000 173.6321 40 I 4.5208 7.9056 121.1668 60.1008 38.3284 175.3038 41 T 5.0892 9.0034 113.2574 57.9783 71.9912 174.1576 42 G 4.0164 7.1575 106.5256 46.1930 0.0000 170.5850 43 L 4.8474 7.3805 120.5282 53.7628 45.8718 175.2786 44 L 5.2410 9.1084 128.0865 53.4547 45.0077 174.5657 45 C 5.4209 9.5344 123.6309 58.1205 31.1504 172.1788 46 Y 4.8934 9.2860 124.7770 56.0670 40.9099 174.2363 47 S 4.6026 8.0581 122.6714 54.9530 64.1179 172.1191 48 K 3.6180 6.9267 124.0838 53.9829 31.5300 174.3230 49 P 4.7387 0.0000 0.0000 61.5921 32.7556 174.8938 50 A 4.7071 8.0275 123.6001 52.1231 19.8903 176.9846 51 F 5.4650 9.0384 119.1946 55.7800 42.5152 174.6676 52 L 5.0682 9.0236 123.1897 53.4563 45.3710 174.9536 53 Q 4.9553 8.4832 126.7447 54.1619 33.0366 173.6739 54 V 4.8822 8.3379 125.0332 59.8504 34.1270 174.4094 55 L 5.2611 9.2865 123.9092 53.0058 45.0092 175.3093 56 E 5.2015 10.5444 122.3116 53.9808 33.7771 176.7394 57 G 4.1042 8.0290 108.8529 44.9554 0.0000 171.5251 58 E 4.5390 8.1151 118.7083 56.2020 31.2813 176.9547 59 C 3.4249 8.9117 123.9536 62.8673 31.4742 175.8136 60 E 3.8640 8.1447 119.7719 59.7127 29.0778 178.9134 61 Q 3.9851 7.9793 117.2226 58.8325 28.7870 178.5951 62 V 3.6289 8.1943 119.7239 66.2079 31.5539 177.9201 63 N 4.4346 8.3008 116.2143 56.1566 38.3661 177.0267 64 E 3.9474 8.3797 120.8208 59.6522 29.6765 179.1109 65 T 3.8421 8.1339 115.8058 66.6466 68.5167 176.0094 66 Y 3.9135 8.2772 121.7217 61.2420 38.6468 178.1338 67 H 3.9462 8.0987 115.3456 58.2650 29.1071 177.6970 68 R 3.9443 7.8652 120.9265 59.4518 29.9216 178.3775 69 I 3.5901 7.7122 120.0633 64.4633 36.8557 178.6856 70 V 3.3352 6.9680 118.6187 64.7318 31.0678 177.7879 71 Q 4.1788 7.5771 115.8722 55.7741 28.4969 175.7130 72 D 4.3764 7.9027 124.7492 54.3480 41.6135 177.4811 73 E 4.1119 8.8338 122.8733 58.6957 29.9791 174.6344 74 R 4.3663 8.6924 115.4724 57.8634 30.4696 175.3657 75 H 5.5095 7.8626 111.8957 54.9926 31.7616 171.4911 76 H 4.7157 9.1219 114.8786 54.8858 31.8190 172.9094 77 S 3.8079 8.7307 112.9847 58.9142 59.9128 171.5976 78 P 4.5892 0.0000 0.0000 63.0854 32.1968 176.3202 79 Q 4.5633 9.2881 119.9322 53.9797 31.7407 174.7017 80 I 4.0470 8.5201 125.8185 61.7498 37.1409 176.0917 81 I 4.2717 8.8674 128.2833 62.9430 38.6459 176.0625 82 E 4.7476 7.7683 120.7086 55.1387 33.1819 173.6647 83 C 5.3247 8.4997 126.2419 58.3529 34.5092 172.5443 84 M 4.5754 8.8485 122.1023 53.3763 34.5126 172.4328 85 P 4.0453 0.0000 0.0000 62.4490 32.0971 175.7880 86 I 4.5451 8.0740 116.1260 59.1336 39.9150 176.0524 87 R 4.0895 8.7330 122.8863 59.1436 30.3462 177.1382 88 R 4.5490 7.2319 110.1873 55.0449 31.6537 174.6802 89 R 4.4245 8.3861 118.4187 56.4282 30.7817 176.2752 90 N 4.7538 9.4949 116.0713 53.0351 40.7913 175.6653 91 F 4.9030 8.4470 117.4497 56.9525 39.5792 177.1692 92 E 4.2404 8.2138 120.1047 58.6351 29.6715 178.3122 93 V 3.4527 7.5608 112.4790 62.7274 31.9622 176.1862 94 W 5.1986 7.5436 118.2186 54.3759 31.6155 176.4098 95 S 4.4058 8.9936 117.0172 61.3191 63.4885 173.7129 96 M 4.7661 7.8359 117.7030 55.4061 34.7434 174.4416 97 Q 4.6960 8.3531 123.4782 53.9029 33.4239 173.4029 98 A 5.2025 8.3481 119.1161 51.1340 22.0983 175.6519 99 I 4.7283 8.9774 122.9951 59.5621 41.1719 174.5216 100 T 5.0041 8.5943 116.0666 60.2530 70.6654 173.9736 101 V 4.4182 8.9040 126.6578 61.4494 33.5745 173.7814 102 N 5.0417 8.8001 129.3339 52.7027 39.6299 175.0196 103 D 4.4330 8.8320 117.6666 56.4361 40.1263 173.3401 *104 L 4.4765 7.7276 115.2013 55.0215 41.3321 182.3604 105 S 4.4660 7.4218 114.8045 59.0434 63.6085 174.8127 106 T 4.0971 8.2054 112.5326 61.9055 70.3719 175.1084 107 E 3.9842 8.6920 121.6423 59.6149 29.6460 179.2992 108 Q 3.9618 8.1013 119.1921 59.1966 29.0767 178.6517 109 V 3.6450 7.5247 117.7453 66.0186 31.6613 177.9748 110 K 3.9600 8.1706 118.2551 60.0345 31.8460 179.3939 111 T 3.8978 8.1912 115.8477 66.6270 68.1483 176.7288 112 L 4.0886 7.7082 119.4613 57.6828 41.7910 179.3783 113 V 3.7919 8.2003 118.2715 66.1403 31.3782 177.9102 114 L 3.9266 7.9758 119.9817 57.8928 41.6548 178.4720 115 K 3.6620 7.8521 118.9691 58.9025 31.9896 176.7156 116 Y 4.7736 7.2412 113.2403 57.4469 38.4889 174.6931 117 S 4.5870 7.6375 114.2283 57.2464 66.0066 174.8844 118 G 3.4972 8.5568 108.8907 47.5089 0.0000 172.9760 119 F 4.7852 7.6464 116.3916 56.1424 42.9682 174.0646 120 T 4.3449 8.6909 113.9416 62.4430 67.2679 173.8389 121 T 4.4266 7.5522 110.3623 60.1006 70.4717 174.0344 122 L 3.8317 8.3063 127.0163 55.0411 42.3750 176.6031 123 R 4.4244 8.1263 125.2362 53.3511 31.4597 174.0423 124 P 4.2201 0.0000 0.0000 65.3896 31.7857 179.0677 125 S 4.0719 8.3303 112.9978 61.7598 62.7519 175.7327 126 A 4.1601 7.8676 121.3287 54.0771 18.4857 177.1599 127 M 4.6394 7.8865 116.6111 53.9389 33.3709 176.6434 128 D 4.6988 8.9199 123.9401 52.1833 41.9937 175.7706 129 P 4.2086 0.0000 0.0000 65.7337 31.1727 178.6212 130 E 3.9423 8.2053 117.6775 59.2464 29.5519 178.7438 131 Q 3.8852 8.8384 118.5879 59.0063 28.8163 178.3780 132 C 4.0904 8.2502 117.9355 62.8309 28.1769 176.0466 133 L 4.0359 8.0163 121.7619 58.2589 41.6635 178.7395 134 N 4.2231 8.1529 116.5395 56.0020 38.3127 177.0074 135 F 4.0210 7.6584 122.1972 61.3622 39.4658 177.1281 136 L 3.8653 8.0524 118.3248 57.8126 41.3230 179.5355 137 L 3.9356 8.4056 119.2362 57.9640 41.6372 179.4518 138 D 4.3432 8.1999 118.8433 57.4039 40.9523 178.7103 139 I 3.7210 7.7558 119.0690 63.6779 37.6396 177.7992 140 A 4.1551 7.8490 121.5821 54.7521 18.2967 179.3427 141 K 4.1014 7.6929 116.5195 59.4407 32.8718 178.9053 142 I 4.0132 7.3201 120.7102 64.4146 38.1156 176.1004 *143 Y 4.3172 7.6595 124.6290 59.2344 36.8777 177.5477 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 8.19 4.67 0.00 3.97 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 6 L 7.92 4.48 0.00 1.93 1.75 0.97 0.59 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 7 Y 9.64 5.12 0.00 3.03 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 8 R 8.90 5.26 0.00 1.90 1.73 0.00 3.14 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 9 L 9.19 5.35 0.00 1.71 1.48 0.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.95 5.15 1.87 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 1.24 0.56 0.92 0.00 0.00 11 Y 8.72 5.46 0.00 3.24 3.01 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 12 S 9.16 5.42 0.00 4.00 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 13 S 9.02 5.00 0.00 4.13 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 14 Q 9.01 4.81 0.00 1.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.01 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 15 G 9.12 4.39 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 0.00 16 I 8.74 4.13 1.93 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 1.58 0.85 1.08 0.00 0.00 17 P 0.00 4.16 0.00 2.22 2.17 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 18 N 7.55 4.34 0.00 2.53 2.90 0.00 0.00 7.03 7.73 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 19 L 7.43 4.20 0.00 1.51 1.42 0.95 0.87 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 20 Q 9.44 4.73 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 21 P 0.00 4.19 0.00 2.14 2.14 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 22 Q 8.03 4.02 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 23 D 8.15 4.31 0.00 2.79 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 24 L 7.77 3.95 0.00 1.93 1.71 0.68 0.75 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 25 K 8.04 3.92 0.00 1.82 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.45 7.81 26 D 8.34 4.31 0.00 2.91 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 27 I 7.89 3.60 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 0.78 0.00 0.00 28 L 8.12 3.90 0.00 1.89 1.74 0.85 1.17 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 29 E 8.54 3.95 0.00 2.00 1.97 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 2.31 2.56 0.00 30 S 8.25 4.12 0.00 3.99 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 31 S 8.32 4.16 0.00 4.04 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 32 Q 8.21 4.13 0.00 2.09 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 33 R 7.74 4.06 0.00 1.98 2.11 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 34 N 8.22 4.59 0.00 2.79 2.83 0.00 0.00 7.06 6.32 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 35 N 8.43 4.42 0.00 2.95 3.15 0.00 0.00 7.03 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.25 0.00 2.18 2.14 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 37 A 7.98 4.04 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 38 N 7.74 4.57 0.00 2.91 2.88 0.00 0.00 7.00 7.53 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 39 G 7.91 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 40 I 7.91 4.52 1.91 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 1.55 1.34 0.97 0.00 0.00 41 T 9.00 5.09 4.69 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 1.30 0.00 0.00 42 G 7.16 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 43 L 7.38 4.85 0.00 1.74 1.12 1.03 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.11 5.24 0.00 1.75 1.62 0.98 0.87 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 45 C 9.53 5.42 0.00 2.97 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 46 Y 9.29 4.89 0.00 3.00 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 47 S 8.06 4.60 0.00 3.74 3.56 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 48 K 6.93 3.62 0.00 1.56 1.59 0.00 1.35 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.38 7.81 49 P 0.00 4.74 0.00 2.25 2.24 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.75 0.00 50 A 8.03 4.71 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 51 F 9.04 5.47 0.00 3.19 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 52 L 9.02 5.07 0.00 1.68 1.48 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.48 4.96 0.00 1.86 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 54 V 8.34 4.88 1.78 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 -0.30 0.00 0.00 0.74 0.00 0.00 55 L 9.29 5.26 0.00 1.62 1.65 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.54 5.20 0.00 1.95 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 2.34 2.36 0.00 57 G 8.03 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 58 E 8.12 4.54 0.00 2.05 1.90 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 2.43 2.41 0.00 59 C 8.91 3.42 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.14 3.86 0.00 2.03 1.93 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 2.37 2.40 0.00 61 Q 7.98 3.99 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 62 V 8.19 3.63 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 1.19 0.00 0.00 1.06 0.00 0.00 63 N 8.30 4.43 0.00 3.07 2.92 0.00 0.00 6.70 7.28 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 64 E 8.38 3.95 0.00 2.10 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 0.00 2.31 2.50 0.00 65 T 8.13 3.84 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 1.24 0.00 0.00 66 Y 8.28 3.91 0.00 2.96 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 H 8.10 3.95 0.00 3.22 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.87 3.94 0.00 1.95 2.04 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.71 3.59 1.69 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 1.51 0.45 0.81 0.00 0.00 70 V 6.97 3.34 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 0.48 0.00 0.00 0.79 0.00 0.00 71 Q 7.58 4.18 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.87 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 72 D 7.90 4.38 0.00 2.71 2.52 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 0.00 0.00 0.00 73 E 8.83 4.11 0.00 2.03 1.87 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 2.23 1.91 0.00 74 R 8.69 4.37 0.00 1.91 2.01 0.00 3.06 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 75 H 7.86 5.51 0.00 3.48 3.48 0.00 5.58 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 76 H 9.12 4.72 0.00 3.26 3.45 0.00 5.41 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.73 3.81 0.00 4.07 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 78 P 0.00 4.59 0.00 2.23 1.93 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 79 Q 9.29 4.56 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 80 I 8.52 4.05 1.84 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 0.88 0.44 0.79 0.00 0.00 81 I 8.87 4.27 2.03 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 1.14 0.77 0.92 0.00 0.00 82 E 7.77 4.75 0.00 2.01 1.73 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 2.28 2.30 0.00 83 C 8.50 5.32 0.00 2.93 2.77 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 84 M 8.85 4.58 0.00 2.04 1.95 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 2.37 2.45 0.00 85 P 0.00 4.05 0.00 1.74 1.76 0.00 3.34 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.63 0.00 86 I 8.07 4.55 1.85 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 1.22 0.67 0.88 0.00 0.00 87 R 8.73 4.09 0.00 1.80 2.01 0.00 3.37 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 88 R 7.23 4.55 0.00 1.84 1.83 0.00 3.00 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 89 R 8.39 4.42 0.00 1.83 2.09 0.00 3.18 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 90 N 9.49 4.75 0.00 2.08 2.17 0.00 0.00 6.78 7.48 0.00 0.00 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 F 8.45 4.90 0.00 3.35 3.08 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 92 E 8.21 4.24 0.00 2.05 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 0.00 2.18 2.22 0.00 93 V 7.56 3.45 1.04 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 0.43 0.00 0.00 0.48 0.00 0.00 94 W 7.54 5.20 0.00 3.46 2.99 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 95 S 8.99 4.41 0.00 3.97 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 96 M 7.84 4.77 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 97 Q 8.35 4.70 0.00 1.55 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 98 A 8.35 5.20 1.18 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 0.00 0.00 99 I 8.98 4.73 1.93 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 1.28 0.70 0.96 0.00 0.00 100 T 8.59 5.00 4.34 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 1.34 0.00 0.00 101 V 8.90 4.42 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 1.05 0.00 0.00 1.12 0.00 0.00 102 N 8.80 5.04 0.00 2.87 2.83 0.00 0.00 6.74 7.61 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 0.00 103 D 8.83 4.43 0.00 2.72 2.62 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 *104 L 7.73 4.48 0.00 1.65 1.58 0.92 0.83 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 0.00 105 S 7.42 4.47 0.00 3.96 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 T 8.21 4.10 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 0.00 107 E 8.69 3.98 0.00 2.01 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 0.00 2.41 2.32 0.00 108 Q 8.10 3.96 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 109 V 7.52 3.64 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 1.09 0.00 0.00 0.96 0.00 0.00 110 K 8.17 3.96 0.00 2.02 1.89 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.71 7.81 111 T 8.19 3.90 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 1.20 0.00 0.00 112 L 7.71 4.09 0.00 2.04 2.03 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.20 3.79 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 1.00 0.00 0.00 1.11 0.00 0.00 114 L 7.98 3.93 0.00 1.96 1.79 0.88 0.41 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 0.00 115 K 7.85 3.66 0.00 1.75 1.62 0.00 1.63 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.36 1.15 7.81 116 Y 7.24 4.77 0.00 3.05 2.95 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 0.00 117 S 7.64 4.59 0.00 3.89 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 0.00 118 G 8.56 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.65 4.79 0.00 2.96 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 0.00 120 T 8.69 4.34 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 1.25 0.00 0.00 121 T 7.55 4.43 4.16 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 1.17 0.00 0.00 122 L 8.31 3.83 0.00 1.39 1.48 -0.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.13 4.42 0.00 1.85 1.77 0.00 3.12 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 124 P 0.00 4.22 0.00 2.16 2.07 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 125 S 8.33 4.07 0.00 3.85 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 0.00 126 A 7.87 4.16 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 0.00 127 M 7.89 4.64 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 128 D 8.92 4.70 0.00 2.92 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 0.00 129 P 0.00 4.21 0.00 2.18 2.15 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 130 E 8.21 3.94 0.00 2.04 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 0.00 2.39 2.41 0.00 131 Q 8.84 3.89 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 132 C 8.25 4.09 0.00 3.09 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 0.00 133 L 8.02 4.04 0.00 1.79 1.66 1.13 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.15 4.22 0.00 2.24 2.44 0.00 0.00 6.68 7.65 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 0.00 135 F 7.66 4.02 0.00 2.94 3.19 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 0.00 136 L 8.05 3.87 0.00 2.07 1.80 0.82 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.41 3.94 0.00 1.79 1.65 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.20 4.34 0.00 2.93 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 0.00 139 I 7.76 3.72 1.16 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 1.37 1.25 0.62 0.00 0.00 140 A 7.85 4.16 1.56 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 0.00 0.00 141 K 7.69 4.10 0.00 1.87 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.48 7.81 142 I 7.32 4.01 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 1.40 1.33 1.04 0.00 0.00 *143 Y 7.66 4.32 0.00 2.49 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.