NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.6323 8.1927 115.5710 57.9032 66.1541 172.9444 6 L 4.4875 7.9753 124.6679 55.0485 43.0839 173.9933 7 Y 5.1965 9.6926 123.5560 56.2039 43.2434 173.7532 8 R 5.1757 8.9578 121.1995 54.5487 33.7154 173.8246 9 L 5.2959 9.1910 127.6228 53.3334 45.4964 174.8346 10 I 5.1887 8.8900 127.1527 59.7304 40.1795 174.2529 11 Y 5.4438 8.7050 123.6899 55.4959 42.1303 173.8943 12 S 5.3571 9.1634 114.1231 56.9752 66.8890 172.8246 13 S 5.1189 8.9136 114.3319 57.7449 67.2502 172.8517 14 Q 4.6935 9.0939 120.3581 54.0854 29.6823 176.0704 15 G 4.3070 8.9915 113.0646 45.8827 0.0000 172.9027 16 I 4.1813 8.7232 115.9780 60.0346 38.3688 175.4986 17 P 4.3052 0.0000 0.0000 65.2971 31.2973 177.1259 18 N 4.4915 8.1365 115.9462 54.0752 39.0787 175.0876 *19 L 3.8685 7.2530 118.4893 54.9585 41.1267 182.4775 20 Q 4.6618 8.9544 123.5264 52.6263 31.1282 175.2296 21 P 4.2085 0.0000 0.0000 66.3172 31.1496 178.6063 22 Q 3.9853 8.0897 117.4086 59.2377 28.8417 177.9859 23 D 4.3131 8.0255 119.7123 57.4262 40.8961 178.7910 24 L 3.9600 7.7928 118.9124 57.6235 41.5437 179.6072 25 K 3.9932 8.1331 118.6161 59.3518 31.9719 179.1993 26 D 4.2988 8.2836 119.3206 57.3407 40.6862 178.6890 27 I 3.6031 7.8250 120.4252 64.3787 37.0532 178.2478 28 L 4.0137 7.8426 124.6527 58.2098 41.9471 179.3410 29 E 3.9623 8.4113 118.5629 61.2697 29.5502 181.1520 30 S 4.2877 8.1544 116.5689 61.4365 63.0719 177.0097 31 S 4.0981 8.2748 117.2216 61.6740 62.4953 176.5444 32 Q 4.1471 8.1821 120.7546 58.1163 28.4429 178.2639 33 R 4.0789 7.6232 119.4511 59.2256 30.6627 177.7601 34 N 4.5474 8.3606 116.2686 55.9849 38.7816 177.2169 35 N 4.4194 8.3492 118.0393 55.8728 38.7777 175.3885 36 P 4.2582 0.0000 0.0000 65.7267 31.2533 178.4786 37 A 4.0227 8.0212 118.3252 54.9320 18.4268 177.7030 38 N 4.6224 7.6933 109.8453 52.6713 38.8555 175.4021 39 G 3.9803 7.7194 105.8875 46.4816 0.0000 173.6345 40 I 4.5769 7.7897 120.3097 59.8649 38.4061 175.5108 41 T 5.1965 9.1215 113.4159 57.9263 71.2626 174.0740 42 G 4.3657 7.1643 105.8603 46.0149 0.0000 170.6226 43 L 4.8557 7.3156 120.1187 53.5611 45.9637 175.4435 44 L 5.0957 8.9665 127.7677 53.4827 44.7901 174.6395 45 C 5.3289 9.4010 123.9468 58.1510 31.5182 172.2307 46 Y 4.8896 9.1587 124.2416 56.2018 40.8455 174.1827 47 S 4.7607 8.3166 123.0805 54.3575 63.3932 171.3980 48 K 3.3455 7.0462 121.7921 54.8307 32.0476 174.4218 49 P 4.7067 0.0000 0.0000 62.5235 32.7620 174.6719 50 A 5.0116 7.9655 123.4124 51.1955 21.1532 176.5715 51 F 5.4477 9.0081 118.9441 55.8384 42.1724 174.7544 52 L 5.0439 8.9714 123.5624 53.3713 45.2531 174.9937 53 Q 4.9670 8.5226 126.5403 54.1706 33.1468 173.6889 54 V 4.9483 8.4386 124.5413 59.8388 34.3792 174.3829 55 L 5.2946 9.1445 123.3506 53.0762 45.4319 175.3605 56 E 5.2331 10.3448 121.7678 53.9742 34.0756 176.4101 57 G 4.0831 7.8846 108.8660 44.7881 0.0000 171.1948 58 E 4.4772 8.0211 119.3940 55.9394 31.3782 176.9704 59 C 3.5199 8.9236 126.6996 62.8920 31.4181 176.0642 60 E 3.8623 8.0194 119.9088 59.2878 29.1763 178.6612 61 Q 3.9618 7.5519 114.9938 58.8125 28.7715 178.6170 62 V 3.6293 8.1108 119.6552 66.1905 31.5805 177.8135 63 N 4.5087 8.4647 118.6327 56.9258 38.5120 177.7138 64 E 4.0126 8.4519 119.9428 61.5475 29.7237 181.2006 65 T 4.0375 8.1879 117.2160 66.5360 68.5056 176.0781 66 Y 3.9274 8.3322 121.7452 61.2511 38.5925 178.1114 67 H 3.8542 8.0091 115.3395 58.1459 28.9864 177.6796 68 R 3.9312 7.7395 120.4855 59.4611 29.9586 178.3249 69 I 3.5518 7.6456 119.7180 64.6914 36.9042 178.7971 70 V 3.3520 7.1523 111.5424 63.9086 31.3252 177.7889 71 Q 4.2168 7.5179 115.7353 55.4886 28.9940 175.6441 72 D 4.3313 7.8178 124.5467 54.7307 41.5626 177.1959 73 E 4.3161 8.7610 121.8086 57.5615 30.0509 174.3171 74 R 4.4676 8.5346 116.9828 57.7816 30.6481 175.3933 75 H 5.5207 7.8271 111.4738 54.7813 31.7869 171.4954 76 H 4.7739 9.0474 115.0852 54.6661 31.9733 172.8188 77 S 3.7897 8.6972 112.8247 59.0172 59.9216 171.5824 78 P 4.6293 0.0000 0.0000 62.8783 32.4061 176.3148 79 Q 4.5854 9.5078 120.4009 53.8739 31.5617 174.8513 80 I 3.9694 8.5034 125.7894 61.9750 37.0410 176.2354 81 I 4.1922 8.9903 128.7208 63.3249 38.2692 176.1528 82 E 4.7435 7.7529 120.6416 55.1176 33.1814 173.5913 83 C 5.2563 8.5200 125.7247 58.3162 34.4316 172.7253 84 M 4.6658 8.7764 124.5583 53.1255 36.5682 172.8392 85 P 4.0598 0.0000 0.0000 62.4237 32.1924 175.6600 86 I 4.6033 8.2056 115.5154 59.1973 40.2211 175.8884 87 R 4.1052 8.7405 122.5158 59.0784 30.3499 177.1566 88 R 4.5481 7.2441 110.2956 55.0584 31.6686 174.6379 89 R 4.4537 8.3387 118.4234 56.3142 30.8624 176.2085 90 N 4.7200 9.5375 115.5587 52.9814 40.8816 175.7337 91 F 4.7501 8.5873 117.2258 56.8330 39.5206 177.3308 92 E 4.1344 8.1871 120.7611 58.9910 29.4144 178.4186 93 V 3.6841 7.4530 111.9749 62.6546 32.1984 175.9353 94 W 5.1531 8.0232 120.6658 54.4479 31.8033 176.3728 95 S 4.3667 9.0963 118.5884 61.5258 62.6923 173.7760 96 M 4.8121 7.4808 117.9732 55.2297 34.6533 174.5197 97 Q 4.5587 8.1057 124.4664 53.6266 33.0218 173.2469 98 A 5.1254 8.1971 120.4880 50.5551 22.1353 175.5857 99 I 4.4600 8.6695 122.9863 59.4230 40.8417 174.7622 100 T 4.7935 8.5541 117.2002 60.9451 70.5410 174.3487 101 V 4.4516 8.9867 125.6145 61.5802 34.4881 173.6907 102 N 5.0965 8.9348 126.7861 52.1434 39.5713 174.2310 103 D 4.4389 8.7534 118.5641 57.3215 41.4867 178.3452 *104 L 4.2769 7.7378 117.2188 55.8939 41.4568 182.5816 105 S 4.4075 7.4171 112.2593 59.2442 63.4693 174.5077 106 T 4.2434 8.3417 118.0570 62.2194 69.1199 175.4834 107 E 3.9863 8.7427 123.7483 61.3733 29.6747 179.8853 108 Q 4.1629 8.1011 120.1155 59.1440 29.1571 178.6554 109 V 3.6967 7.7835 118.5241 66.0291 31.6444 177.9059 110 K 4.0823 8.3512 118.3692 59.9174 31.8095 179.5024 111 T 3.8982 8.2368 116.1117 66.3501 68.0730 176.5001 112 L 4.0377 7.7978 121.5373 58.0966 42.3409 178.7581 113 V 3.9064 8.1473 118.2157 66.2432 31.0493 177.7401 114 L 4.1640 8.1704 121.3231 57.4470 41.6265 178.6599 115 K 3.7616 8.1131 119.1784 58.7607 32.0739 176.7557 116 Y 4.7349 7.3915 113.3144 57.5232 38.5689 174.6548 117 S 4.5851 7.5823 113.5013 57.3443 65.9954 174.7462 118 G 3.5329 8.5543 108.5221 47.3974 0.0000 172.8584 119 F 4.7545 7.6449 117.1117 56.6620 43.0368 174.2605 120 T 4.4798 8.7122 114.0432 62.5144 67.5877 174.0708 121 T 4.3477 7.6390 111.2357 60.4260 70.1178 174.0303 122 L 3.8336 8.3715 128.3552 54.8225 42.2933 176.4352 123 R 4.4095 8.1217 125.0622 53.4309 31.6309 174.0533 124 P 4.2333 0.0000 0.0000 65.3641 31.6121 179.3512 125 S 4.1141 8.1011 112.8598 60.9577 62.7690 174.7210 126 A 4.4684 8.0528 121.3957 52.3869 18.9951 176.7237 127 M 4.9917 7.5556 115.1793 52.8158 35.4661 175.8110 128 D 4.7455 8.7208 122.2706 51.9140 42.3729 175.8036 129 P 4.2048 0.0000 0.0000 65.7298 31.0963 178.5611 130 E 3.9300 8.1699 117.5317 59.4350 29.5877 178.7769 131 Q 3.9191 8.9193 118.5085 58.9613 28.7553 178.3515 132 C 4.0704 8.2662 117.9750 62.8079 28.2224 175.9765 133 L 4.0194 7.9811 121.5878 58.4097 41.7351 178.7813 134 N 4.2691 8.1959 116.5262 55.9704 38.2723 177.1491 135 F 3.9073 7.8555 122.2722 61.3038 39.5402 177.2014 136 L 3.9388 8.1771 118.5107 57.7308 41.4895 179.4705 137 L 3.9766 8.4639 119.3413 58.1091 41.4662 179.4414 138 D 4.4140 8.1861 118.7172 57.1586 40.8586 178.6717 139 I 3.7411 7.9008 119.4187 63.7672 37.7056 177.6792 140 A 4.6262 8.2354 123.5257 55.7954 18.2628 180.0764 141 K 4.1264 7.8059 120.9710 60.1862 31.9022 181.6701 142 I 4.0287 7.5403 120.2264 63.5815 37.0451 176.4139 143 Y 4.4009 7.9977 120.7744 58.0437 38.1749 175.3775 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 4.63 0.00 3.95 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 0.00 6 L 7.98 4.49 0.00 1.93 1.63 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.69 5.20 0.00 2.99 2.81 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 8 R 8.96 5.18 0.00 1.87 1.73 0.00 3.15 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 9 L 9.19 5.30 0.00 1.72 1.47 0.45 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.89 5.19 1.87 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 1.27 0.50 0.92 0.00 0.00 11 Y 8.70 5.44 0.00 3.20 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 12 S 9.16 5.36 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 13 S 8.91 5.12 0.00 4.19 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 0.00 14 Q 9.09 4.69 0.00 1.55 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 15 G 8.99 4.31 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 0.00 16 I 8.72 4.18 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 1.52 0.84 1.06 0.00 0.00 17 P 0.00 4.31 0.00 2.08 2.19 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 2.06 2.16 0.00 18 N 8.14 4.49 0.00 2.70 2.87 0.00 0.00 6.78 7.85 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 *19 L 7.25 3.87 0.00 1.65 1.54 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.95 4.66 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 21 P 0.00 4.21 0.00 2.07 2.14 0.00 3.87 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 2.07 0.00 22 Q 8.09 3.99 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 23 D 8.03 4.31 0.00 2.87 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 24 L 7.79 3.96 0.00 1.88 1.69 0.64 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.13 3.99 0.00 2.09 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.74 7.81 26 D 8.28 4.30 0.00 2.86 2.68 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 0.00 0.00 0.00 0.00 27 I 7.83 3.60 1.91 0.00 0.00 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 1.25 0.72 0.74 0.00 0.00 28 L 7.84 4.01 0.00 1.84 1.76 0.90 0.80 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 29 E 8.41 3.96 0.00 2.00 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 0.00 2.25 2.23 0.00 30 S 8.15 4.29 0.00 3.96 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 31 S 8.27 4.10 0.00 4.02 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 32 Q 8.18 4.15 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 33 R 7.62 4.08 0.00 1.90 2.09 0.00 3.25 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 34 N 8.36 4.55 0.00 2.76 2.83 0.00 0.00 7.06 7.21 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 35 N 8.35 4.42 0.00 2.86 3.14 0.00 0.00 7.02 8.46 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 36 P 0.00 4.26 0.00 2.17 2.14 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 37 A 8.02 4.02 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 7.69 4.62 0.00 2.95 2.88 0.00 0.00 6.98 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 7.72 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.79 4.58 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 1.52 0.93 0.96 0.00 0.00 41 T 9.12 5.20 4.73 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 1.34 0.00 0.00 42 G 7.16 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 0.00 0.00 0.00 0.00 43 L 7.32 4.86 0.00 1.76 1.10 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.97 5.10 0.00 1.69 1.57 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.40 5.33 0.00 2.92 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 46 Y 9.16 4.89 0.00 2.96 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 47 S 8.32 4.76 0.00 3.74 3.49 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 48 K 7.05 3.35 0.00 1.54 1.59 0.00 1.02 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.35 7.81 49 P 0.00 4.71 0.00 2.09 2.23 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 50 A 7.97 5.01 1.21 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 0.00 0.00 51 F 9.01 5.45 0.00 3.14 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 52 L 8.97 5.04 0.00 1.66 1.45 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.52 4.97 0.00 1.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 54 V 8.44 4.95 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 -0.08 0.00 0.00 0.87 0.00 0.00 55 L 9.14 5.29 0.00 1.62 1.63 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.34 5.23 0.00 1.96 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 2.36 2.37 0.00 57 G 7.88 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 58 E 8.02 4.48 0.00 2.07 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 0.00 2.45 2.37 0.00 59 C 8.92 3.52 0.00 2.60 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 60 E 8.02 3.86 0.00 2.03 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 2.35 2.36 0.00 61 Q 7.55 3.96 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 62 V 8.11 3.63 2.22 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 1.15 0.00 0.00 1.06 0.00 0.00 63 N 8.46 4.51 0.00 2.98 2.91 0.00 0.00 7.18 7.27 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 64 E 8.45 4.01 0.00 1.96 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 2.25 2.24 0.00 65 T 8.19 4.04 4.42 0.00 0.00 0.00 0.00 0.00 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 8.33 3.93 0.00 2.92 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 67 H 8.01 3.85 0.00 3.14 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.74 3.93 0.00 1.94 2.08 0.00 3.08 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 1.57 1.61 0.00 69 I 7.65 3.55 1.70 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 1.44 0.44 0.78 0.00 0.00 70 V 7.15 3.35 1.80 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 -0.27 0.00 0.00 0.71 0.00 0.00 71 Q 7.52 4.22 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 72 D 7.82 4.33 0.00 2.76 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 8.76 4.32 0.00 2.03 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 74 R 8.53 4.47 0.00 1.93 2.01 0.00 3.05 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 1.61 1.60 0.00 75 H 7.83 5.52 0.00 3.49 3.48 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.05 4.77 0.00 3.22 3.43 0.00 5.41 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 77 S 8.70 3.79 0.00 4.07 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 78 P 0.00 4.63 0.00 2.24 1.95 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 1.85 0.00 79 Q 9.51 4.59 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 I 8.50 3.97 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.40 0.86 0.00 0.00 81 I 8.99 4.19 2.01 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 1.13 0.72 0.92 0.00 0.00 82 E 7.75 4.74 0.00 2.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 83 C 8.52 5.26 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 8.78 4.67 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 85 P 0.00 4.06 0.00 1.74 1.76 0.00 3.34 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 86 I 8.21 4.60 1.85 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 1.21 0.66 0.92 0.00 0.00 87 R 8.74 4.11 0.00 1.80 2.01 0.00 3.38 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 7.24 4.55 0.00 1.84 1.83 0.00 3.00 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 89 R 8.34 4.45 0.00 1.82 2.08 0.00 3.18 0.00 0.00 3.29 7.39 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 9.54 4.72 0.00 2.11 2.14 0.00 0.00 6.80 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 91 F 8.59 4.75 0.00 3.33 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 92 E 8.19 4.13 0.00 2.06 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 2.19 2.23 0.00 93 V 7.45 3.68 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 0.50 0.00 0.00 -0.31 0.00 0.00 94 W 8.02 5.15 0.00 3.54 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 95 S 9.10 4.37 0.00 4.05 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 0.00 96 M 7.48 4.81 0.00 1.95 1.92 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 2.34 2.48 0.00 97 Q 8.11 4.56 0.00 1.91 1.88 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 2.17 2.15 0.00 98 A 8.20 5.13 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 0.00 0.00 0.00 0.00 0.00 99 I 8.67 4.46 1.63 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.22 0.46 0.00 0.00 100 T 8.55 4.79 4.31 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 1.31 0.00 0.00 101 V 8.99 4.45 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.08 0.00 0.00 102 N 8.93 5.10 0.00 2.81 2.79 0.00 0.00 6.29 8.39 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 0.00 103 D 8.75 4.44 0.00 2.64 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 *104 L 7.74 4.28 0.00 1.70 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.42 4.41 0.00 4.06 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 0.00 106 T 8.34 4.24 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 1.28 0.00 0.00 107 E 8.74 3.99 0.00 2.01 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 2.32 1.95 0.00 108 Q 8.10 4.16 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 109 V 7.78 3.70 2.32 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 1.19 0.00 0.00 1.09 0.00 0.00 110 K 8.35 4.08 0.00 2.02 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.66 7.81 111 T 8.24 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 1.21 0.00 0.00 112 L 7.80 4.04 0.00 2.06 2.07 0.78 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.15 3.91 2.42 0.00 0.00 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 1.17 0.00 0.00 114 L 8.17 4.16 0.00 1.94 1.85 0.90 0.22 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 0.00 115 K 8.11 3.76 0.00 1.73 1.64 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.38 1.09 7.81 116 Y 7.39 4.73 0.00 3.07 2.97 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 0.00 117 S 7.58 4.59 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.55 3.53 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 0.00 0.00 0.00 119 F 7.64 4.75 0.00 3.09 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 0.00 120 T 8.71 4.48 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 1.26 0.00 0.00 121 T 7.64 4.35 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 1.17 0.00 0.00 122 L 8.37 3.83 0.00 1.42 1.50 0.05 0.82 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 0.00 123 R 8.12 4.41 0.00 1.83 1.77 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 124 P 0.00 4.23 0.00 2.15 2.06 0.00 3.54 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 2.07 2.03 0.00 125 S 8.10 4.11 0.00 3.85 3.94 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 0.00 126 A 8.05 4.47 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 0.00 127 M 7.56 4.99 0.00 1.94 1.91 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 2.49 2.59 0.00 128 D 8.72 4.75 0.00 2.93 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 4.20 0.00 2.18 2.16 0.00 3.61 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 8.17 3.93 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 131 Q 8.92 3.92 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 132 C 8.27 4.07 0.00 3.11 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 0.00 133 L 7.98 4.02 0.00 1.86 1.81 1.09 0.61 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 8.20 4.27 0.00 2.36 2.45 0.00 0.00 6.71 8.09 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 0.00 135 F 7.86 3.91 0.00 2.92 3.17 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 0.00 136 L 8.18 3.94 0.00 2.08 1.86 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.46 3.98 0.00 1.78 1.64 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 138 D 8.19 4.41 0.00 2.90 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 0.00 139 I 7.90 3.74 1.22 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 1.38 1.50 0.73 0.00 0.00 140 A 8.24 4.63 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.13 0.00 1.89 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 142 I 7.54 4.03 2.12 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 1.53 1.09 0.83 0.00 0.00 143 Y 8.00 4.40 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.