NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5805 8.1693 120.7751 54.4159 42.8952 176.3288 5 T 4.5445 8.9051 113.5872 58.0561 72.4371 171.9590 6 E 3.8521 8.8828 123.1020 59.8472 29.8627 180.0091 7 E 3.9062 8.2122 118.5845 59.4096 29.8479 178.3717 8 Q 3.8135 7.7165 115.7158 58.0508 28.8252 178.2106 9 I 4.0181 7.6616 122.5735 64.3488 37.1377 177.9954 10 A 4.0173 7.9722 121.6739 55.1648 18.1795 179.5200 11 E 3.9290 8.2762 117.2203 59.6328 29.5332 179.4794 12 F 4.7203 7.7292 117.4030 60.7494 39.0214 177.6891 13 K 4.4320 8.7582 119.2940 59.7117 32.0678 178.5887 14 E 4.0469 8.8395 119.1147 59.5179 29.2868 179.3176 15 A 4.1882 8.4666 120.8131 55.2032 18.5393 179.2620 16 F 3.0849 8.8757 119.6763 61.4518 39.1556 177.3829 17 S 4.3016 8.1166 111.4519 61.0518 62.2099 175.7340 18 L 4.0715 7.6261 121.3702 57.8066 41.3931 179.1166 19 F 4.1756 7.7004 116.8567 59.5251 40.4326 176.6876 20 D 4.5609 7.7078 119.8394 52.5404 37.3559 176.7705 21 K 3.9107 7.9260 121.4448 59.0540 32.7999 177.9703 22 D 4.5922 8.1144 115.6205 52.4579 39.6702 176.8311 23 G 3.9564 8.3822 107.9256 46.8581 0.0000 174.0607 24 D 4.5939 8.5117 116.7348 52.8111 39.5444 177.5051 25 G 4.1719 9.1897 108.3240 45.8071 0.0000 173.6040 26 T 5.1079 8.1397 108.6382 59.9734 72.1570 173.3063 27 I 5.1949 8.9362 124.8537 59.4389 39.3946 175.5072 28 T 4.8321 8.4788 117.0068 60.0189 71.6534 175.5276 29 T 3.8455 8.5423 111.6508 65.0274 68.3371 176.3502 30 K 3.9645 8.0082 120.6477 59.3926 32.1635 179.0182 31 E 4.0091 8.2940 118.8205 59.1600 29.3121 179.4269 32 L 4.2694 8.3270 119.4737 57.7617 41.6623 179.5958 33 G 3.7166 8.6852 105.9569 48.2293 0.0000 175.7415 34 T 3.8592 8.1114 118.4468 66.2907 68.3600 176.9622 35 V 3.4817 7.7718 120.0050 66.2952 31.5838 177.8210 36 M 4.1100 8.5331 118.8587 58.7092 31.8007 179.0531 37 R 4.8402 8.5905 119.8564 58.5546 30.0764 179.0293 38 S 4.2464 8.0106 112.9824 60.3265 62.9174 175.4264 39 L 4.4895 7.3222 121.3916 54.3307 41.8346 177.3058 40 G 3.9049 8.1784 108.3663 45.2204 0.0000 174.2237 41 Q 4.4370 7.9417 119.1710 55.1236 30.4221 174.9390 42 N 5.4512 8.0396 115.9582 51.4701 38.8263 171.8186 43 P 4.6322 0.0000 0.0000 62.4661 32.9488 177.6214 44 T 4.5058 8.6769 113.5604 60.9321 71.8067 176.4465 45 E 3.9528 8.6366 120.1339 61.4718 29.5607 179.0230 46 A 4.2131 7.9831 121.4571 54.9298 18.4844 179.3842 47 E 3.9026 8.1162 116.8357 59.6423 29.5106 179.5261 48 L 4.0181 7.9439 118.8844 57.9945 41.5786 179.7552 49 Q 3.9936 8.2418 117.8690 58.8795 28.6829 178.2104 50 D 4.3497 8.4132 120.3001 57.7936 40.7130 178.5335 51 M 3.9431 7.7587 117.4771 58.7993 32.3495 178.8165 52 I 3.8209 7.5158 119.0292 64.4925 36.8537 177.9209 53 N 4.2949 8.4575 118.1294 56.9478 38.3726 176.6228 54 E 3.8029 7.9477 119.0350 58.3212 29.5868 177.8857 55 V 4.3534 7.4618 108.6075 60.7596 33.7163 176.6550 56 D 4.8110 7.5522 121.2705 53.5455 38.5142 176.0637 57 A 4.0030 8.4897 125.6703 54.3576 18.8799 178.6529 58 D 4.6827 8.3367 111.9462 52.2619 39.8892 176.2575 59 G 4.0452 7.7633 107.0783 46.8427 0.0000 174.1890 60 N 4.5236 8.3795 115.0661 52.4000 37.8865 176.0731 61 G 3.9533 9.2499 108.5763 45.4226 0.0000 172.7500 62 T 4.7608 7.6579 107.9003 59.8255 72.4448 173.2244 63 I 4.7824 8.6451 122.9200 59.7997 39.3974 175.9307 64 D 5.3049 8.9417 127.6044 52.0628 41.9888 177.3084 65 F 3.8111 8.8968 119.4846 61.0178 39.1705 175.1124 66 P 4.3041 0.0000 0.0000 65.8470 31.1298 178.2139 67 E 3.9405 8.6374 118.4738 59.0680 29.0320 178.8983 68 F 4.0345 8.5267 120.9226 61.4321 39.3707 177.2401 69 L 3.5029 7.7365 118.4415 57.8559 41.2800 179.6831 70 T 3.8113 7.6387 115.8059 66.5343 68.4437 176.5617 71 M 3.8918 8.0566 121.0174 58.7670 31.9552 178.8076 72 M 3.8422 7.2357 117.9790 58.2000 31.8802 178.5651 73 A 3.9300 7.8594 120.1709 55.1656 18.7880 179.7527 74 R 3.9444 7.8712 116.4573 59.3702 30.0134 179.1708 75 K 3.9314 7.5701 117.4654 59.7747 32.1690 178.3794 76 M 4.2800 7.9677 120.8243 58.3640 32.0344 178.6429 77 K 4.3148 7.6651 125.7275 57.8447 32.5124 182.0737 *82 E 4.6355 8.2047 116.8588 56.2576 32.0213 179.8822 83 E 4.0069 8.1394 118.9600 59.6337 29.6546 179.2817 84 E 4.1341 8.2732 117.7353 59.0501 29.4599 179.0365 85 I 4.1331 9.8823 119.9894 64.1006 37.3213 178.1228 86 R 4.1108 8.2409 119.2105 59.4195 29.6436 178.4084 87 E 3.9653 7.8527 116.7023 59.2865 30.0000 178.3449 88 A 4.3882 8.2155 120.9823 55.5817 18.4479 179.2218 89 F 2.9689 8.6104 118.9096 61.5123 39.1827 177.6693 90 R 4.0108 7.9141 115.8882 58.9843 29.8196 178.8263 91 V 3.6149 7.4212 117.5185 65.7132 31.4877 177.7340 92 F 4.3148 7.9004 115.8797 59.5149 40.7569 177.1642 93 D 4.4753 7.7347 120.2029 53.6583 37.7700 176.4354 94 K 4.0202 8.0399 122.4690 58.3604 32.8778 177.7777 95 D 4.5486 8.1171 116.6554 52.7190 39.4787 177.0482 96 G 3.9187 7.9578 107.2933 46.5185 0.0000 174.4466 97 N 4.5270 8.4058 115.4334 53.2285 37.7615 176.1674 98 G 3.9640 10.1882 109.3464 45.2564 0.0000 172.3076 99 Y 5.0109 8.0685 116.5209 56.1316 41.7398 175.0584 100 I 4.4042 9.2145 126.1654 60.7465 38.5258 176.2374 101 S 4.7683 9.5283 122.9890 57.2354 64.9240 175.3708 102 A 3.9763 8.7334 121.0952 55.3366 17.9751 179.6305 103 A 3.8789 7.9279 118.6977 55.2701 18.5602 179.5198 104 E 3.8694 8.1617 117.1015 59.3730 29.5208 179.3127 105 L 4.1685 8.1078 120.3748 58.2487 42.1314 178.9124 106 R 3.9039 8.4026 119.0112 59.9292 30.0910 178.1402 107 H 4.2407 8.5170 116.3457 58.8935 28.6623 178.0197 108 V 3.5238 7.7225 119.6173 66.1275 31.2790 178.0868 109 M 4.1247 8.2754 118.5721 58.6342 31.6617 178.9279 110 T 3.8697 8.1813 116.2177 66.5934 68.4152 176.3685 111 N 4.3081 7.9094 117.6930 56.0643 39.0321 176.0352 112 L 4.2513 7.7053 118.1927 54.6350 41.9182 177.7995 113 G 3.9176 8.1670 108.1208 45.1831 0.0000 173.8022 114 E 4.0148 8.2240 122.8905 56.4780 29.8435 177.0648 *115 K 4.4229 8.5631 125.9017 53.2500 32.4628 172.7041 116 L 5.0599 8.1901 124.1489 51.4189 45.2576 177.4316 117 T 4.1968 9.1018 113.9429 61.3566 70.8929 175.4743 118 D 4.4540 8.7813 124.2430 58.4291 40.7674 179.7448 119 E 4.0216 8.1198 118.1120 61.1298 29.8750 180.6817 120 E 4.1668 8.1659 119.6640 59.3314 29.4767 179.7602 121 V 3.6350 7.7477 117.8627 66.0779 31.5274 177.8925 122 D 4.3444 8.1653 118.7835 57.2066 40.6483 178.1491 123 E 3.9148 8.5392 120.2658 59.5978 29.4234 178.9867 124 M 4.0320 7.8960 118.2571 58.5542 32.0628 178.5549 125 I 3.7111 7.8689 120.0127 64.7029 37.0833 178.4601 126 R 3.8989 8.0706 118.3441 59.3724 29.9243 178.1251 127 E 4.0780 8.1262 117.6524 59.1832 29.5458 178.6444 128 A 4.2309 7.6262 119.5628 53.0012 19.1405 177.6028 129 D 4.4054 7.8394 117.5643 54.8780 41.8645 175.2403 130 I 4.3336 8.9994 126.9178 62.9841 38.9518 176.9236 131 D 4.3828 8.4008 117.0172 54.3105 39.6394 177.1669 132 G 3.9180 8.3590 108.2796 45.8244 0.0000 173.9201 133 D 4.3950 8.2434 117.8697 53.7642 39.6222 177.3277 134 G 3.9256 9.1856 108.3915 45.7990 0.0000 172.8548 135 Q 4.6481 8.1327 116.7887 54.0884 33.2341 174.3809 136 V 4.5066 8.5709 119.2761 61.4625 32.6571 175.5402 137 N 5.2315 9.5923 128.1602 51.1421 40.4260 175.0924 138 Y 2.9794 7.9402 119.5076 60.7471 38.6867 177.5879 139 E 3.6028 8.0169 119.4410 58.9692 29.7424 178.3436 140 E 4.0143 8.4601 118.8908 58.8978 29.5567 178.7781 141 F 4.0322 8.2199 120.9274 61.0893 39.2363 177.2235 142 V 3.3842 7.3966 117.0707 66.1543 31.6652 177.6906 143 Q 4.0433 7.6733 117.4648 59.1001 28.2957 178.5444 144 M 3.9600 7.5377 118.0116 58.7554 32.3976 177.6041 145 M 4.2021 7.5525 114.9497 56.3240 32.0198 176.5712 146 T 4.1549 7.4188 121.6720 63.6717 69.4270 173.6316 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 8.17 4.58 0.00 1.68 1.53 0.92 0.50 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 5 T 8.91 4.54 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 1.23 0.00 0.00 6 E 8.88 3.85 0.00 2.05 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 2.38 2.40 0.00 7 E 8.21 3.91 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 2.33 2.35 0.00 8 Q 7.72 3.81 0.00 1.90 2.16 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 2.56 2.36 0.00 9 I 7.66 4.02 2.09 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 1.63 0.79 1.01 0.00 0.00 10 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 11 E 8.28 3.93 0.00 1.71 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 2.42 2.42 0.00 12 F 7.73 4.72 0.00 3.62 3.22 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 0.00 13 K 8.76 4.43 0.00 2.07 2.12 0.00 1.42 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.42 7.81 14 E 8.84 4.05 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 2.39 2.68 0.00 15 A 8.47 4.19 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 0.00 0.00 0.00 0.00 0.00 16 F 8.88 3.08 0.00 2.84 3.30 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 17 S 8.12 4.30 0.00 4.08 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 0.00 18 L 7.63 4.07 0.00 1.83 1.37 1.08 0.83 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 19 F 7.70 4.18 0.00 2.84 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 20 D 7.71 4.56 0.00 2.41 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 21 K 7.93 3.91 0.00 1.77 1.86 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.37 7.81 22 D 8.11 4.59 0.00 2.72 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 23 G 8.38 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 24 D 8.51 4.59 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 25 G 9.19 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 26 T 8.14 5.11 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 1.29 0.00 0.00 27 I 8.94 5.19 1.71 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.36 0.82 0.00 0.00 28 T 8.48 4.83 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 8.54 3.85 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 30 K 8.01 3.96 0.00 1.83 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.54 7.81 31 E 8.29 4.01 0.00 2.26 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 2.33 2.35 0.00 32 L 8.33 4.27 0.00 1.88 1.77 0.90 0.71 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 33 G 8.69 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 0.00 0.00 0.00 34 T 8.11 3.86 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 1.19 0.00 0.00 35 V 7.77 3.48 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 0.73 0.00 0.00 0.68 0.00 0.00 36 M 8.53 4.11 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.98 0.00 37 R 8.59 4.84 0.00 2.04 1.96 0.00 3.13 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 38 S 8.01 4.25 0.00 4.12 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 39 L 7.32 4.49 0.00 1.70 1.67 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.18 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 41 Q 7.94 4.44 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 42 N 8.04 5.45 0.00 2.59 2.66 0.00 0.00 6.98 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 4.63 0.00 2.23 2.05 0.00 3.82 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 2.00 1.98 0.00 44 T 8.68 4.51 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 8.64 3.95 0.00 1.99 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 2.32 1.96 0.00 46 A 7.98 4.21 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 47 E 8.12 3.90 0.00 2.21 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 2.33 2.36 0.00 48 L 7.94 4.02 0.00 1.86 1.73 0.99 0.74 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 49 Q 8.24 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 50 D 8.41 4.35 0.00 2.81 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 51 M 7.76 3.94 0.00 1.96 2.31 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 52 I 7.52 3.82 1.86 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 1.39 0.96 0.97 0.00 0.00 53 N 8.46 4.29 0.00 2.86 3.05 0.00 0.00 7.29 7.76 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 54 E 7.95 3.80 0.00 2.16 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 2.52 2.47 0.00 55 V 7.46 4.35 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 0.61 0.00 0.00 0.93 0.00 0.00 56 D 7.55 4.81 0.00 2.80 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 8.49 4.00 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 58 D 8.34 4.68 0.00 2.80 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 59 G 7.76 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 0.00 0.00 0.00 60 N 8.38 4.52 0.00 2.87 2.95 0.00 0.00 6.95 7.34 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 61 G 9.25 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 62 T 7.66 4.76 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 1.23 0.00 0.00 63 I 8.65 4.78 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 1.28 0.96 1.07 0.00 0.00 64 D 8.94 5.30 0.00 2.90 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 65 F 8.90 3.81 0.00 2.69 2.96 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 66 P 0.00 4.30 0.00 2.33 2.34 0.00 3.96 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 67 E 8.64 3.94 0.00 2.34 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 2.50 2.45 0.00 68 F 8.53 4.03 0.00 3.25 3.18 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 69 L 7.74 3.50 0.00 1.73 1.40 0.91 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.64 3.81 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 1.15 0.00 0.00 71 M 8.06 3.89 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.48 0.00 72 M 7.24 3.84 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 73 A 7.86 3.93 1.24 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 0.00 0.00 0.00 74 R 7.87 3.94 0.00 2.04 1.93 0.00 3.08 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 75 K 7.57 3.93 0.00 1.70 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.32 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 76 M 7.97 4.28 0.00 2.02 2.22 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 2.75 2.53 0.00 77 K 7.67 4.31 0.00 1.87 1.68 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 *82 E 8.20 4.64 0.00 1.91 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 2.21 1.88 0.00 83 E 8.14 4.01 0.00 2.09 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 2.55 0.00 84 E 8.27 4.13 0.00 2.12 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 2.44 2.44 0.00 85 I 9.88 4.13 2.17 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 1.48 0.81 1.11 0.00 0.00 86 R 8.24 4.11 0.00 1.95 1.97 0.00 2.72 0.00 0.00 2.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 87 E 7.85 3.97 0.00 2.27 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 2.39 2.64 0.00 88 A 8.22 4.39 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 0.00 0.00 89 F 8.61 2.97 0.00 3.07 3.30 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 90 R 7.91 4.01 0.00 2.00 1.97 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 91 V 7.42 3.61 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 0.49 0.00 0.00 1.06 0.00 0.00 92 F 7.90 4.31 0.00 2.75 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 93 D 7.73 4.48 0.00 1.75 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 0.00 0.00 0.00 94 K 8.04 4.02 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.33 7.81 95 D 8.12 4.55 0.00 2.72 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 96 G 7.96 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 97 N 8.41 4.53 0.00 3.00 3.01 0.00 0.00 7.09 6.28 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 98 G 10.19 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 99 Y 8.07 5.01 0.00 3.01 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 0.00 100 I 9.21 4.40 1.89 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.46 0.94 0.00 0.00 101 S 9.53 4.77 0.00 3.87 4.14 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 0.00 102 A 8.73 3.98 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 0.00 103 A 7.93 3.88 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 0.00 104 E 8.16 3.87 0.00 2.30 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 0.00 2.34 2.32 0.00 105 L 8.11 4.17 0.00 1.85 1.89 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.40 3.90 0.00 1.96 2.04 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 107 H 8.52 4.24 0.00 3.28 3.28 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 0.00 108 V 7.72 3.52 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 0.63 0.00 0.00 0.56 0.00 0.00 109 M 8.28 4.12 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.02 0.00 110 T 8.18 3.87 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 1.21 0.00 0.00 111 N 7.91 4.31 0.00 2.86 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 0.00 112 L 7.71 4.25 0.00 1.79 1.58 0.86 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 0.00 113 G 8.17 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 0.00 114 E 8.22 4.01 0.00 2.14 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 2.32 2.40 0.00 *115 K 8.56 4.42 0.00 1.77 1.61 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.31 1.02 7.81 116 L 8.19 5.06 0.00 1.59 1.57 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 T 9.10 4.20 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 0.00 118 D 8.78 4.45 0.00 2.74 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 0.00 119 E 8.12 4.02 0.00 1.97 1.96 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 2.31 1.97 0.00 120 E 8.17 4.17 0.00 2.28 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 2.34 2.33 0.00 121 V 7.75 3.63 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 1.09 0.00 0.00 1.02 0.00 0.00 122 D 8.17 4.34 0.00 2.91 2.71 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 0.00 123 E 8.54 3.91 0.00 2.24 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 2.31 2.37 0.00 124 M 7.90 4.03 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 125 I 7.87 3.71 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.88 0.97 0.00 0.00 126 R 8.07 3.90 0.00 2.04 2.12 0.00 3.27 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 127 E 8.13 4.08 0.00 2.14 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 2.34 2.55 0.00 128 A 7.63 4.23 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 0.00 129 D 7.84 4.41 0.00 2.82 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 0.00 130 I 9.00 4.33 1.99 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 1.35 0.96 0.91 0.00 0.00 131 D 8.40 4.38 0.00 2.79 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 8.36 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 0.00 133 D 8.24 4.39 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 9.19 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 0.00 135 Q 8.13 4.65 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 136 V 8.57 4.51 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 1.02 0.00 0.00 0.99 0.00 0.00 137 N 9.59 5.23 0.00 2.77 3.02 0.00 0.00 6.47 7.67 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 0.00 138 Y 7.94 2.98 0.00 2.16 2.71 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 0.00 139 E 8.02 3.60 0.00 2.07 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 2.34 2.40 0.00 140 E 8.46 4.01 0.00 2.31 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 2.34 2.45 0.00 141 F 8.22 4.03 0.00 3.29 3.05 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 0.00 142 V 7.40 3.38 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 0.77 0.00 0.00 0.29 0.00 0.00 143 Q 7.67 4.04 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 144 M 7.54 3.96 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 145 M 7.55 4.20 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 1.95 0.00 146 T 7.42 4.15 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 1.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.