NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 4.2775 7.8976 120.3159 61.4535 32.7725 176.2075 29 T 3.6606 8.5481 112.0081 64.3677 68.7182 174.6399 30 G 3.7841 8.8524 109.8444 46.0611 0.0000 175.8916 31 D 4.3818 7.9415 121.6392 57.3657 41.0019 179.0168 32 T 3.8836 7.3078 108.6248 64.0845 68.8059 174.7624 33 D 4.7054 7.6483 120.0457 54.1251 41.1348 176.1962 34 Q 4.5131 7.5072 118.8031 53.6804 30.0133 174.0931 35 P 4.3569 0.0000 0.0000 62.9521 32.0278 175.3730 36 I 4.5665 8.1470 121.8388 60.3687 38.5038 174.4708 37 H 4.7896 9.1148 128.2076 54.4647 31.6044 173.2571 38 I 4.8813 8.1234 125.9505 59.4145 40.0075 174.6448 39 E 4.8756 8.6163 125.7297 54.8154 32.4620 175.2244 40 S 4.9470 8.2663 116.3730 57.7334 65.6730 173.9838 41 D 4.7419 8.9853 120.0531 57.1112 41.7449 176.6506 42 Q 4.9468 7.8515 111.5810 55.4176 32.2842 173.5481 43 Q 5.1115 8.4489 116.9494 54.8881 31.9804 173.8106 44 S 4.6037 9.0582 115.5841 56.4251 66.0995 172.4372 45 L 4.8148 8.5081 125.9957 53.2021 43.8341 175.4212 46 D 4.7302 8.9789 128.9831 53.5279 41.1820 176.5532 47 M 4.2205 8.6050 123.4751 56.1431 32.1055 177.5624 48 Q 4.0036 8.0395 120.9815 59.0683 29.5190 176.7193 49 G 3.8557 9.2023 105.5157 45.5443 0.0000 174.0415 50 N 4.0708 7.8912 114.7009 53.7906 35.9787 173.7719 51 V 4.7871 8.2952 119.4909 61.0391 35.8981 175.0484 52 V 4.5958 8.9703 127.2554 61.2677 34.5381 174.0410 53 T 4.8998 8.5008 124.3949 61.6615 71.5092 173.0114 54 F 5.5503 9.4560 125.1002 55.8992 42.4429 174.5540 55 T 5.0335 9.0428 112.2110 60.9309 72.6664 171.8564 56 G 3.7055 8.9134 113.7851 47.6220 0.0000 173.6206 57 N 4.0910 8.4813 126.8597 53.6043 36.5653 175.5656 58 V 4.0734 7.9233 118.6594 63.0112 33.5684 175.5517 59 I 4.6010 8.6490 128.5855 59.6970 39.8592 174.4244 60 V 4.6825 8.6472 128.7026 61.5778 33.3131 174.7870 61 T 5.7019 9.0652 117.7622 58.9522 72.0854 172.7042 62 Q 4.6066 7.8115 126.2369 52.7840 32.0261 175.7165 63 G 3.8247 8.9352 119.0212 47.3394 0.0000 172.9827 64 T 4.5194 9.5140 115.2954 61.0819 68.9053 173.1109 65 I 4.9170 7.8023 124.0108 60.5588 38.9613 174.9099 66 K 5.2177 9.2498 126.1275 54.7209 36.0291 175.4074 67 I 5.2208 8.7879 123.7632 59.8001 41.6761 173.8492 68 N 5.5921 8.6802 123.0371 51.6733 41.9195 173.4495 69 A 4.7956 8.4565 122.6481 51.3118 23.1025 176.9333 70 D 4.4930 9.2064 119.5968 56.7701 42.2008 177.0494 71 K 5.0857 8.1145 118.1803 54.6993 36.2244 175.3371 72 V 5.1787 9.1017 125.4883 61.2545 35.5556 174.0399 73 V 5.1216 9.2991 127.1689 61.0812 34.4141 174.3634 74 V 5.1015 9.0790 127.6258 60.2518 34.5795 174.6754 75 T 4.9386 8.8922 119.9679 61.9903 71.9034 173.4158 76 R 5.0533 8.3115 125.9383 52.9779 29.9939 171.7497 77 P 4.1535 0.0000 0.0000 65.7566 30.1837 174.7476 78 G 3.7843 8.1160 113.5024 45.5532 0.0000 173.0008 *81 Q 4.3273 8.0300 117.9668 54.9868 31.2617 177.9023 82 G 3.6461 8.2396 109.7613 48.5716 0.0000 174.9321 83 K 4.4745 7.7748 119.6012 54.1786 32.3794 180.3741 84 E 4.4681 8.2576 121.9667 57.5241 30.9985 175.9140 85 V 4.9302 8.7362 124.7808 61.2443 35.4061 173.8944 86 I 5.0921 8.8332 128.3079 59.6894 39.9657 174.0644 87 D 5.4125 9.4276 127.5837 52.3785 43.6852 175.5193 88 G 4.4940 8.9998 110.3711 44.5233 0.0000 171.0988 89 Y 5.2534 9.3368 121.3480 56.0628 41.4801 174.9964 90 G 4.4791 9.3048 112.6399 45.9175 0.0000 175.0003 91 K 4.1504 8.8956 121.7445 56.8300 32.0436 176.8852 92 P 4.2814 0.0000 0.0000 62.9794 32.2743 176.7840 93 A 3.7564 7.7330 116.1000 53.2603 16.0368 174.9645 94 T 5.3052 8.5596 114.2047 60.3033 72.1526 173.3021 95 F 5.3919 9.6489 124.9179 56.9085 43.2098 172.9787 96 Y 4.6390 8.0102 125.1517 56.1783 42.7127 173.3794 97 Q 5.1594 7.2461 125.6816 55.6074 33.0944 173.0846 98 M 4.3242 8.2521 126.7499 55.7563 33.2761 175.3581 99 Q 4.6539 8.1072 122.2292 54.0703 31.5879 176.5858 100 D 4.3950 8.8048 120.3501 57.3977 40.9351 177.1036 101 N 4.6743 8.1633 114.9009 52.7282 37.4610 175.8431 102 G 3.8633 7.8343 104.6704 46.5571 0.0000 173.8990 103 K 4.6192 7.8783 120.1015 53.9415 33.5370 174.2319 104 P 4.4718 0.0000 0.0000 62.4247 33.3179 175.1352 105 V 4.4622 8.4105 122.9015 61.9285 33.1772 174.5522 106 E 5.1736 8.9707 126.4957 54.9970 34.2291 174.6130 107 G 4.4591 9.0283 108.4415 46.6272 0.0000 171.6254 108 H 5.6739 8.7319 114.4147 54.5636 32.3437 172.1453 109 A 4.7061 8.3880 120.1946 51.7019 22.3394 176.8204 110 S 4.7457 8.7496 115.0308 60.6110 64.1136 174.9584 111 Q 4.8329 8.5925 120.1652 54.2852 32.5551 174.0442 112 M 5.1069 8.7217 124.7204 54.0596 36.0775 173.1690 113 H 5.3132 9.4057 125.5881 54.5692 33.4266 171.1688 114 Y 4.9254 9.3335 127.3687 56.0851 41.6681 174.3268 115 E 4.7895 9.6427 128.7652 54.9555 29.3298 177.0699 116 L 3.9433 8.3958 125.0607 57.2032 41.7109 178.9064 117 A 4.1835 8.3451 123.1963 54.5491 18.4600 178.8752 118 K 4.3857 7.8742 114.0028 54.1791 33.1699 178.7890 119 D 4.5624 7.8883 117.3867 56.0690 38.0988 173.1781 120 F 5.2188 8.5771 122.7586 56.4311 43.5011 174.1782 121 V 4.2348 7.8667 125.7108 60.7161 34.4369 174.2704 122 V 4.5944 8.4233 126.7988 60.9622 34.6415 173.8231 123 L 5.1542 8.8558 128.1143 53.2706 44.2357 175.6038 124 T 4.7833 9.0404 120.7264 62.6549 72.6360 170.5239 125 G 3.8674 9.2269 120.0253 45.9036 0.0000 173.4110 126 N 4.3561 8.6455 125.3676 53.7062 36.4309 174.9968 127 A 4.5391 8.0538 119.1180 52.2363 20.2455 177.3641 128 Y 5.0575 9.1170 121.4537 56.0267 43.0670 173.7951 129 L 4.8488 7.4097 126.1188 53.6996 46.0588 174.3275 130 Q 4.6350 9.3933 123.2743 54.8108 32.6955 173.8686 131 Q 4.6317 8.5977 120.9701 53.5116 31.2265 178.1945 132 V 3.3318 8.5862 127.9577 63.5810 31.3403 173.9587 133 D 4.5070 9.3103 117.0165 55.4869 40.4196 177.3921 134 S 4.4389 7.6302 116.1985 57.9738 63.7178 172.6180 135 N 4.6838 8.0315 118.6122 52.8783 39.5120 172.9394 136 I 4.4591 7.5639 119.4172 60.7225 41.7698 173.7829 137 K 5.0789 8.2429 128.7709 53.7332 36.0246 176.3025 138 G 3.9996 8.1255 107.8862 45.9754 0.0000 173.9093 139 D 4.6282 8.4234 118.8869 56.5491 42.1441 177.0750 140 K 4.9621 8.0317 120.0347 55.2762 35.6260 174.5460 141 I 5.0543 8.8796 128.7538 59.9461 39.8916 174.7802 142 T 4.9145 9.1788 123.0027 62.0076 72.1051 173.0065 143 Y 5.2383 8.4613 126.5592 56.4746 42.2239 174.0138 144 L 4.5781 9.1829 129.2878 53.7720 42.2078 178.3824 145 V 2.9651 8.3939 125.8591 65.4687 31.8622 178.5808 146 K 4.0406 7.9425 117.8581 59.2974 32.1582 178.0937 147 E 4.0083 8.1592 115.7520 57.1923 30.0540 176.3970 148 Q 3.5239 7.6203 119.4435 57.2592 26.7736 174.8803 149 K 4.7266 8.4112 119.7448 53.9920 36.3471 178.5087 150 M 5.2531 8.7962 124.3487 52.9597 35.0826 175.4766 151 Q 4.4589 9.2846 119.3795 54.2424 33.4685 173.7780 152 A 5.1753 8.2590 124.5939 50.1174 21.8217 175.2820 153 F 5.0867 9.2992 119.8303 55.5514 43.3912 174.2231 154 S 5.8689 8.4904 114.2333 54.5784 65.6032 175.5919 155 D 4.9582 9.0488 126.3997 54.4529 39.8431 179.4220 156 K 4.3950 8.9680 130.0077 56.6024 32.2716 176.7852 157 G 4.2514 7.4319 111.7200 46.5843 0.0000 174.8716 158 K 4.5979 8.3371 126.8086 53.6681 35.5961 174.4772 159 R 4.3882 8.3800 120.8532 55.7226 30.2636 175.8380 160 V 4.3983 7.7560 116.2367 61.5591 33.8165 172.9588 161 T 4.7542 8.3266 113.2281 59.9521 72.0105 172.8862 162 T 4.5911 8.2675 117.0611 61.7993 71.5099 174.0419 163 V 4.4352 8.2112 119.1801 59.3790 34.1097 175.8172 164 L 4.1928 8.3917 121.9575 55.1508 41.5734 176.9100 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 28 V 7.90 4.28 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 0.88 0.00 0.00 0.98 0.00 0.00 29 T 8.55 3.66 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 1.30 0.00 0.00 30 G 8.85 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 31 D 7.94 4.38 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.31 3.88 4.20 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 1.15 0.00 0.00 33 D 7.65 4.71 0.00 2.65 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 34 Q 7.51 4.51 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 35 P 0.00 4.36 0.00 2.19 1.98 0.00 3.58 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 2.12 2.12 0.00 36 I 8.15 4.57 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 1.24 0.40 0.89 0.00 0.00 37 H 9.11 4.79 0.00 3.17 3.11 0.00 5.52 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.12 4.88 1.22 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.36 -0.17 0.00 0.00 39 E 8.62 4.88 0.00 1.89 1.81 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 2.24 2.26 0.00 40 S 8.27 4.95 0.00 4.17 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 41 D 8.99 4.74 0.00 2.82 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 42 Q 7.85 4.95 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 43 Q 8.45 5.11 0.00 1.82 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 44 S 9.06 4.60 0.00 3.76 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 45 L 8.51 4.81 0.00 1.56 1.56 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.98 4.73 0.00 2.72 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 47 M 8.61 4.22 0.00 2.16 2.16 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 2.52 2.51 0.00 48 Q 8.04 4.00 0.00 2.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.62 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 49 G 9.20 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.89 4.07 0.00 2.92 2.98 0.00 0.00 6.40 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 51 V 8.30 4.79 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 1.01 0.00 0.00 0.98 0.00 0.00 52 V 8.97 4.60 1.94 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 0.59 0.00 0.00 0.96 0.00 0.00 53 T 8.50 4.90 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 1.23 0.00 0.00 54 F 9.46 5.55 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 55 T 9.04 5.03 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 56 G 8.91 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 0.00 0.00 0.00 57 N 8.48 4.09 0.00 2.80 2.84 0.00 0.00 7.12 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 58 V 7.92 4.07 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 0.90 0.00 0.00 1.13 0.00 0.00 59 I 8.65 4.60 1.85 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 1.31 0.67 0.89 0.00 0.00 60 V 8.65 4.68 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 0.82 0.00 0.00 61 T 9.07 5.70 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 1.19 0.00 0.00 62 Q 7.81 4.61 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 63 G 8.94 3.82 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 0.00 64 T 9.51 4.52 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 1.25 0.00 0.00 65 I 7.80 4.92 2.07 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 1.38 0.90 1.09 0.00 0.00 66 K 9.25 5.22 0.00 1.66 1.64 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.66 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.31 1.41 7.81 67 I 8.79 5.22 1.95 0.00 0.00 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 1.38 1.15 1.07 0.00 0.00 68 N 8.68 5.59 0.00 2.62 2.70 0.00 0.00 6.38 8.61 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 69 A 8.46 4.80 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 D 9.21 4.49 0.00 2.81 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 K 8.11 5.09 0.00 1.84 1.73 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.67 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.60 7.81 72 V 9.10 5.18 2.33 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 0.97 0.00 0.00 1.03 0.00 0.00 73 V 9.30 5.12 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 1.08 0.00 0.00 1.06 0.00 0.00 74 V 9.08 5.10 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 1.27 0.00 0.00 1.06 0.00 0.00 75 T 8.89 4.94 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 1.29 0.00 0.00 76 R 8.31 5.05 0.00 1.64 1.85 0.00 3.19 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 77 P 0.00 4.15 0.00 2.04 2.07 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 78 G 8.12 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 *81 Q 8.03 4.33 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 82 G 8.24 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.77 4.47 0.00 1.78 1.68 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 0.97 7.81 84 E 8.26 4.47 0.00 2.22 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 2.28 2.38 0.00 85 V 8.74 4.93 2.14 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 1.07 0.00 0.00 0.99 0.00 0.00 86 I 8.83 5.09 1.97 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 1.27 0.49 1.00 0.00 0.00 87 D 9.43 5.41 0.00 2.72 2.43 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 88 G 9.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.34 5.25 0.00 2.85 2.87 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 90 G 9.30 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.90 4.15 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.99 7.81 92 P 0.00 4.28 0.00 2.14 2.14 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 93 A 7.73 3.76 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 94 T 8.56 5.31 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 1.27 0.00 0.00 95 F 9.65 5.39 0.00 3.08 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 96 Y 8.01 4.64 0.00 2.92 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 97 Q 7.25 5.16 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 98 M 8.25 4.32 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 99 Q 8.11 4.65 0.00 2.20 2.01 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 2.42 2.69 0.00 100 D 8.80 4.40 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 0.00 101 N 8.16 4.67 0.00 2.81 2.90 0.00 0.00 6.00 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 0.00 102 G 7.83 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.88 4.62 0.00 2.00 1.72 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 104 P 0.00 4.47 0.00 1.95 2.12 0.00 3.68 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 2.11 2.06 0.00 105 V 8.41 4.46 2.19 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 0.95 0.00 0.00 1.08 0.00 0.00 106 E 8.97 5.17 0.00 1.97 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 2.29 2.27 0.00 107 G 9.03 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 0.00 108 H 8.73 5.67 0.00 3.57 3.46 0.00 5.30 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 0.00 109 A 8.39 4.71 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 0.00 110 S 8.75 4.75 0.00 4.01 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 0.00 111 Q 8.59 4.83 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 112 M 8.72 5.11 0.00 2.02 1.79 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 2.44 2.30 0.00 113 H 9.41 5.31 0.00 3.04 2.98 0.00 5.59 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 0.00 114 Y 9.33 4.93 0.00 2.84 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 0.00 115 E 9.64 4.79 0.00 2.09 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 2.24 2.21 0.00 116 L 8.40 3.94 0.00 1.39 1.59 0.43 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.35 4.18 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 0.00 118 K 7.87 4.39 0.00 1.76 1.65 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.99 7.81 119 D 7.89 4.56 0.00 2.79 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 0.00 120 F 8.58 5.22 0.00 3.20 2.86 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 0.00 0.00 0.00 121 V 7.87 4.23 1.54 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 -0.01 0.00 0.00 -0.44 0.00 0.00 122 V 8.42 4.59 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 0.78 0.00 0.00 0.42 0.00 0.00 123 L 8.86 5.15 0.00 1.52 1.49 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.04 4.78 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 1.26 0.00 0.00 125 G 9.23 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 0.00 0.00 0.00 126 N 8.65 4.36 0.00 2.91 2.94 0.00 0.00 7.14 7.35 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 0.00 127 A 8.05 4.54 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 0.00 128 Y 9.12 5.06 0.00 2.78 2.34 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 0.00 129 L 7.41 4.85 0.00 1.55 1.08 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 9.39 4.64 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 131 Q 8.60 4.63 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.91 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 132 V 8.59 3.33 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 0.84 0.00 0.00 0.93 0.00 0.00 133 D 9.31 4.51 0.00 2.82 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 0.00 134 S 7.63 4.44 0.00 3.96 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 0.00 135 N 8.03 4.68 0.00 2.52 2.64 0.00 0.00 5.81 7.81 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 0.00 136 I 7.56 4.46 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.98 0.72 0.00 0.00 137 K 8.24 5.08 0.00 1.51 1.48 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 0.99 7.81 138 G 8.13 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 0.00 139 D 8.42 4.63 0.00 2.79 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 0.00 140 K 8.03 4.96 0.00 1.81 1.71 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.46 7.81 141 I 8.88 5.05 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.87 0.00 0.00 142 T 9.18 4.91 4.63 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 0.00 0.00 0.00 1.58 0.00 0.00 143 Y 8.46 5.24 0.00 2.74 2.50 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 0.00 144 L 9.18 4.58 0.00 1.70 1.64 1.02 1.03 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 0.00 145 V 8.39 2.97 1.95 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 0.88 0.00 0.00 0.41 0.00 0.00 146 K 7.94 4.04 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.42 7.81 147 E 8.16 4.01 0.00 1.98 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 2.32 2.33 0.00 148 Q 7.62 3.52 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 149 K 8.41 4.73 0.00 1.42 1.60 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.27 7.81 150 M 8.80 5.25 0.00 1.74 1.88 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 151 Q 9.28 4.46 0.00 1.98 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 152 A 8.26 5.18 1.08 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 0.00 153 F 9.30 5.09 0.00 2.99 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 0.00 154 S 8.49 5.87 0.00 3.90 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 0.00 155 D 9.05 4.96 0.00 2.75 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 0.00 0.00 0.00 156 K 8.97 4.40 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.01 7.81 157 G 7.43 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 0.00 0.00 0.00 158 K 8.34 4.60 0.00 1.74 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 1.00 7.81 159 R 8.38 4.39 0.00 1.83 1.74 0.00 3.27 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 160 V 7.76 4.40 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 0.82 0.00 0.00 0.93 0.00 0.00 161 T 8.33 4.75 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 1.19 0.00 0.00 162 T 8.27 4.59 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 0.00 163 V 8.21 4.44 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 0.73 0.00 0.00 0.92 0.00 0.00 164 L 8.39 4.19 0.00 1.63 1.57 0.92 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 * Residues marked with a * may have inaccurate shift predictions.