NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.7199 8.3344 115.5676 58.3901 64.8511 171.9485 1 L 4.2273 8.0643 122.4513 51.2192 43.8142 173.4245 2 K 4.8038 8.9634 125.6594 55.1209 35.4446 175.2534 3 F 4.5160 8.6922 122.8358 56.2885 38.6552 175.6237 4 E 4.1727 8.9000 124.6191 58.0709 30.2599 177.5222 5 N 5.1006 7.9746 115.3059 52.5361 38.8444 174.7869 6 T 4.1406 7.9155 107.9510 61.4792 70.3563 176.5101 7 G 3.9345 8.2770 108.3715 45.6808 0.0000 174.2772 8 L 4.1085 7.7179 120.7674 57.2020 41.7841 178.8798 9 E 4.6401 8.3542 116.0019 57.4589 29.6644 176.7829 10 N 4.7825 8.0425 115.2709 52.5344 37.7086 174.0235 11 Q 4.7312 7.8315 118.5966 54.8138 30.8764 174.6074 12 T 5.0080 8.4275 113.8732 60.1083 71.5184 173.8792 13 V 4.5152 8.5636 122.5940 59.8919 35.4309 173.6782 14 E 4.3458 8.9258 124.0067 56.5101 30.2374 177.1867 15 L 3.9694 9.2241 128.7885 58.3940 41.9609 179.2350 16 S 4.0663 8.0572 113.5829 61.7099 62.7645 176.6820 17 R 3.9138 7.8535 121.0977 58.5223 29.9448 178.4052 18 L 3.7491 8.1081 120.4286 58.2907 42.0999 178.5361 19 D 4.4584 8.6789 119.0501 57.7124 40.9120 178.8804 20 D 4.2925 7.7790 118.9744 57.3644 40.7235 178.8129 21 I 3.6279 7.5470 120.1811 64.7641 37.1116 178.4839 22 M 3.7793 7.7950 119.3995 58.2124 31.5021 178.4673 23 E 4.1753 8.1242 119.4804 59.4642 29.6113 179.1292 24 R 4.0675 7.8568 116.5836 58.2364 30.0538 177.8905 25 L 4.6843 7.4748 117.4417 54.2240 42.0807 177.2787 26 G 3.8309 7.9152 106.6104 45.2277 0.0000 174.0146 27 F 4.7927 8.1399 117.8135 56.7774 40.2108 175.6059 28 V 4.7130 8.7639 114.4054 59.2894 35.5010 175.5040 29 R 4.4225 8.6369 121.6125 56.5359 30.6468 175.6430 30 A 4.4854 8.2613 123.3189 49.3410 23.3570 175.1241 31 A 2.0000 7.6092 118.4057 52.6807 15.8726 178.2353 32 Q 4.0774 7.0109 116.5610 56.6626 29.3066 177.8061 33 W 4.3822 6.9449 115.6369 58.1721 28.8370 175.8972 34 D 4.4840 7.1763 119.7733 53.8879 40.7681 175.2561 35 Y 4.5933 8.1476 123.6729 57.3259 39.0337 175.4717 36 E 4.5660 8.5268 120.7608 56.8225 31.8233 175.9661 37 R 5.1222 8.0025 116.5870 54.2879 33.8159 175.3821 38 V 4.2478 8.5742 115.6718 59.9878 34.3095 175.1047 39 T 4.9919 7.7414 119.8876 61.8916 72.6336 172.2540 40 Y 5.1673 9.2438 123.4008 56.2991 41.4789 174.1704 41 D 5.6742 9.4978 124.2025 52.5589 44.3062 175.0374 42 R 4.4201 9.0636 124.1137 54.4550 31.7188 174.9090 43 K 4.9605 8.3982 126.2588 55.9037 33.8067 176.0177 44 Y 4.6961 9.7177 122.5203 56.3909 40.8304 175.2238 45 V 4.7084 8.6130 117.9346 60.8158 33.5495 175.8951 46 V 4.5786 8.7696 116.2217 59.6513 36.2130 175.7915 47 K 3.8230 9.0034 121.7907 59.8890 31.7746 177.1685 48 E 4.3502 8.5766 114.0385 56.7468 31.5007 174.1694 49 G 4.7982 6.0971 110.5609 44.7344 0.0000 175.7026 50 T 5.1852 9.0306 123.2415 61.6829 72.3491 171.0856 51 Y 5.3216 9.5104 123.4672 56.4630 41.2449 174.3412 52 Y 5.4992 8.6885 120.1987 55.3148 41.6848 173.8792 53 L 4.8193 9.3892 126.7998 54.4299 43.7060 175.0085 54 R 5.3522 9.5018 127.8295 54.7056 32.6476 174.3469 55 V 4.7516 9.0786 126.9294 61.2235 33.9077 174.1436 56 Q 5.1207 8.6219 127.6638 54.7527 33.0433 173.6673 57 G 4.4606 8.8588 109.2084 45.3684 0.0000 171.4628 58 Y 5.2515 7.9604 119.3113 55.1761 40.8562 175.1829 59 A 4.8438 8.5420 124.4915 51.2342 17.8429 177.5030 60 I 3.9818 8.5920 114.8015 64.5938 38.3661 176.5522 61 E 4.5540 8.2512 122.4434 54.9972 32.2489 177.5893 62 G 4.0873 9.5215 110.1317 45.8904 0.0000 171.8071 63 N 4.8399 8.0621 115.6377 52.1123 39.8605 174.9983 64 V 3.9856 7.9758 116.4680 63.5589 31.6340 175.8306 65 D 4.8036 7.7697 116.3628 53.7600 41.5853 176.0183 66 S 4.3185 8.6065 116.5876 57.3355 63.4087 174.9194 67 R 3.5203 8.3425 126.4724 58.8468 29.7422 175.2419 68 Y 4.7300 7.1279 114.5373 56.6797 37.3381 174.2806 69 A 4.8628 8.0077 125.5017 50.3107 23.2677 174.1904 70 L 4.8436 8.6026 123.5763 54.0253 44.0779 175.2617 71 I 4.8902 8.9317 127.0536 59.3522 40.3254 174.2140 72 K 4.7062 8.5287 128.5275 54.5327 34.0501 175.3315 73 L 4.6420 8.0930 127.8147 54.6266 43.1630 176.7906 74 L 4.9293 8.4319 123.0766 53.2804 44.1640 176.2787 75 T 4.1572 8.3203 116.8871 63.2816 68.8336 173.3486 76 P 4.8105 0.0000 0.0000 62.7760 32.8355 175.3558 77 I 5.2024 8.7774 115.8733 59.3760 41.7342 173.5563 78 M 5.1287 8.9377 123.0773 53.9106 34.4662 175.1660 79 G 4.0304 8.3560 113.5470 44.2838 0.0000 172.0862 80 K 4.8983 8.1431 118.2063 55.1223 36.1065 175.5372 81 H 4.4685 8.8707 121.3564 55.1279 32.9066 171.5541 82 Y 5.1532 7.8971 124.1074 57.5081 38.6823 174.6878 83 Y 4.6605 8.8139 122.5272 56.2640 43.1297 172.5447 84 P 3.9599 0.0000 0.0000 62.4367 32.7588 174.7545 85 H 4.7803 8.3196 115.3066 54.7449 30.1146 174.8058 *89 Y 4.3086 8.1488 120.2227 56.3534 40.7237 175.8600 90 G 4.0579 8.2538 105.8603 45.8505 0.0000 173.4480 91 D 4.8594 8.6105 123.4227 54.6186 41.2189 175.8725 92 D 4.9195 7.4200 119.4274 53.3731 42.1379 175.9310 93 E 4.7102 8.4805 122.1984 54.9096 32.7680 174.0279 94 H 4.9193 8.5266 120.0497 54.0045 31.7398 173.0858 95 F 4.3771 8.4478 118.4810 54.2152 41.6013 173.7528 96 P 4.2548 0.0000 0.0000 62.8542 32.5005 177.2716 97 S 4.1485 8.8354 117.9126 61.6974 62.6561 177.0160 98 S 4.0700 7.9253 117.1644 61.2654 62.7568 176.3750 99 L 3.6432 7.6764 122.3352 57.1231 41.3735 179.3580 100 V 3.6512 7.6954 118.2686 66.1607 31.4564 178.1218 101 S 4.2769 8.0795 112.8053 61.4319 62.2620 175.9957 102 Q 3.9910 8.2738 121.0985 59.2193 28.3814 178.7619 103 C 4.0721 8.2682 117.9933 62.8918 28.2412 176.1448 104 Q 3.8150 8.0874 119.5738 58.9158 28.3243 178.8024 105 N 4.3397 8.1967 117.6257 56.1460 38.5795 177.5724 106 V 3.6353 7.7982 119.6552 66.1541 31.6266 178.1308 107 L 3.9447 8.0850 118.4979 57.6673 41.3802 179.3816 108 A 3.9962 7.9016 120.3569 55.0953 18.2358 179.7654 109 Q 4.0079 7.8722 117.6944 58.3384 28.7570 178.8701 110 V 3.4471 7.8956 119.3706 65.8886 31.5914 177.8447 111 K 3.8348 8.0835 119.5248 59.5881 31.5106 178.7325 112 S 4.1133 8.1597 114.3978 61.6034 62.6353 176.3310 113 E 3.9560 8.1435 122.2402 59.0788 29.2748 179.3852 114 L 3.9734 7.9316 119.0735 57.7725 41.6488 179.4112 115 E 4.0085 8.3496 118.6306 59.2002 29.1974 179.5054 116 K 3.9989 8.0730 118.7534 59.5034 31.8458 179.4707 117 I 3.7654 7.3226 119.2992 63.9174 37.0460 177.9687 118 K 4.0481 7.7384 119.6965 59.4579 32.0774 178.4215 119 E 3.8734 8.1372 117.5849 59.9792 29.5778 176.6402 120 E 4.0769 7.6996 122.4780 56.5258 31.1651 174.5964 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 0 S 8.33 4.72 0.00 4.00 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 1 L 8.06 4.23 0.00 0.33 0.68 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.96 4.80 0.00 1.72 1.68 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.33 7.81 3 F 8.69 4.52 0.00 2.94 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 4 E 8.90 4.17 0.00 1.96 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 2.29 2.28 0.00 5 N 7.97 5.10 0.00 2.69 2.77 0.00 0.00 6.85 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 6 T 7.92 4.14 4.22 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 1.28 0.00 0.00 7 G 8.28 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 8 L 7.72 4.11 0.00 1.74 1.67 0.85 0.65 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 9 E 8.35 4.64 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 10 N 8.04 4.78 0.00 2.81 2.89 0.00 0.00 5.98 7.39 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 11 Q 7.83 4.73 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 12 T 8.43 5.01 4.22 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 1.17 0.00 0.00 13 V 8.56 4.52 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 0.65 0.00 0.00 0.88 0.00 0.00 14 E 8.93 4.35 0.00 2.08 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 2.42 2.40 0.00 15 L 9.22 3.97 0.00 1.88 1.65 1.03 0.74 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 16 S 8.06 4.07 0.00 4.04 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 17 R 7.85 3.91 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 18 L 8.11 3.75 0.00 1.77 1.81 0.66 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.68 4.46 0.00 2.91 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 20 D 7.78 4.29 0.00 2.79 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 21 I 7.55 3.63 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.77 0.00 0.00 22 M 7.80 3.78 0.00 1.36 1.47 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.01 0.00 23 E 8.12 4.18 0.00 2.19 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 2.33 2.39 0.00 24 R 7.86 4.07 0.00 2.00 1.98 0.00 3.18 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 25 L 7.47 4.68 0.00 1.79 1.89 0.93 1.04 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 26 G 7.92 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 0.00 0.00 0.00 27 F 8.14 4.79 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.76 4.71 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 0.78 0.00 0.00 0.94 0.00 0.00 29 R 8.64 4.42 0.00 1.62 1.68 0.00 2.84 0.00 0.00 2.82 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 30 A 8.26 4.49 1.02 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 31 A 7.61 2.00 0.70 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 32 Q 7.01 4.08 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.07 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 33 W 6.94 4.38 0.00 3.38 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.18 4.48 0.00 2.42 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 35 Y 8.15 4.59 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.53 4.57 0.00 1.86 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 0.00 2.17 1.72 0.00 37 R 8.00 5.12 0.00 1.65 1.73 0.00 3.28 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 38 V 8.57 4.25 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 0.73 0.00 0.00 0.98 0.00 0.00 39 T 7.74 4.99 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 40 Y 9.24 5.17 0.00 2.68 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 41 D 9.50 5.67 0.00 2.57 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.06 4.42 0.00 0.67 1.15 0.00 2.71 0.00 0.00 2.70 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.15 0.00 43 K 8.40 4.96 0.00 1.61 1.75 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.58 7.81 44 Y 9.72 4.70 0.00 2.95 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 45 V 8.61 4.71 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 0.76 0.00 0.00 1.00 0.00 0.00 46 V 8.77 4.58 2.38 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 1.02 0.00 0.00 1.25 0.00 0.00 47 K 9.00 3.82 0.00 1.74 1.90 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 48 E 8.58 4.35 0.00 1.72 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 2.25 1.71 0.00 49 G 6.10 4.80 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 0.00 0.00 0.00 50 T 9.03 5.19 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 1.42 0.00 0.00 51 Y 9.51 5.32 0.00 3.02 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 52 Y 8.69 5.50 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.39 4.82 0.00 1.97 1.73 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 54 R 9.50 5.35 0.00 2.29 1.96 0.00 3.31 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 55 V 9.08 4.75 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 0.80 0.00 0.00 0.84 0.00 0.00 56 Q 8.62 5.12 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 57 G 8.86 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 0.00 0.00 0.00 0.00 58 Y 7.96 5.25 0.00 2.98 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 59 A 8.54 4.84 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 60 I 8.59 3.98 1.96 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 1.37 0.69 1.18 0.00 0.00 61 E 8.25 4.55 0.00 1.96 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 2.32 0.00 62 G 9.52 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.06 4.84 0.00 2.92 2.95 0.00 0.00 5.63 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 64 V 7.98 3.99 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 0.77 0.00 0.00 0.97 0.00 0.00 65 D 7.77 4.80 0.00 2.75 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 66 S 8.61 4.32 0.00 4.03 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 67 R 8.34 3.52 0.00 1.43 1.08 0.00 3.00 0.00 0.00 2.74 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 68 Y 7.13 4.73 0.00 3.07 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 69 A 8.01 4.86 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 70 L 8.60 4.84 0.00 1.85 1.56 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.93 4.89 1.91 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 1.23 0.84 0.86 0.00 0.00 72 K 8.53 4.71 0.00 1.55 0.74 0.00 1.05 0.00 0.00 1.30 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.18 1.44 7.81 73 L 8.09 4.64 0.00 1.72 1.49 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.43 4.93 0.00 1.51 1.66 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.32 4.16 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 76 P 0.00 4.81 0.00 2.18 2.00 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 77 I 8.78 5.20 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.31 1.01 0.00 0.00 78 M 8.94 5.13 0.00 1.74 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.74 0.00 79 G 8.36 4.03 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 0.00 0.00 0.00 80 K 8.14 4.90 0.00 0.79 1.40 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.69 1.12 7.81 81 H 8.87 4.47 0.00 3.24 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.90 5.15 0.00 2.70 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 83 Y 8.81 4.66 0.00 2.96 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 84 P 0.00 3.96 0.00 2.01 1.40 0.00 3.61 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 1.78 1.62 0.00 85 H 8.32 4.78 0.00 3.17 3.37 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 Y 8.15 4.31 0.00 3.14 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 90 G 8.25 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.61 4.86 0.00 2.72 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 92 D 7.42 4.92 0.00 3.28 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 93 E 8.48 4.71 0.00 1.87 1.79 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 1.81 2.04 0.00 94 H 8.53 4.92 0.00 3.27 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.45 4.38 0.00 2.94 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 96 P 0.00 4.25 0.00 1.99 1.95 0.00 2.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.14 0.00 97 S 8.84 4.15 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.93 4.07 0.00 4.04 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 99 L 7.68 3.64 0.00 1.61 1.43 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.70 3.65 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 1.04 0.00 0.00 0.90 0.00 0.00 101 S 8.08 4.28 0.00 3.94 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 0.00 102 Q 8.27 3.99 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 103 C 8.27 4.07 0.00 3.06 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 0.00 104 Q 8.09 3.82 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 105 N 8.20 4.34 0.00 2.91 2.85 0.00 0.00 6.59 7.32 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 0.00 106 V 7.80 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 1.20 0.00 0.00 1.05 0.00 0.00 107 L 8.08 3.94 0.00 1.57 1.60 0.25 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.90 4.00 1.36 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 0.00 0.00 0.00 109 Q 7.87 4.01 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 110 V 7.90 3.45 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 0.80 0.00 0.00 0.86 0.00 0.00 111 K 8.08 3.83 0.00 1.87 1.93 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.48 7.81 112 S 8.16 4.11 0.00 4.08 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.14 3.96 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 114 L 7.93 3.97 0.00 1.82 1.66 0.84 0.90 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 0.00 115 E 8.35 4.01 0.00 2.13 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 2.47 2.47 0.00 116 K 8.07 4.00 0.00 2.00 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 117 I 7.32 3.77 1.99 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 1.39 0.58 0.94 0.00 0.00 118 K 7.74 4.05 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.52 7.81 119 E 8.14 3.87 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 120 E 7.70 4.08 0.00 2.25 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 2.26 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.