NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4534 8.1749 115.2406 62.1699 68.7322 172.9582 2 T 4.6015 9.1690 124.7126 62.0002 73.4048 171.4032 3 I 5.1379 9.0564 126.4141 59.8949 41.7262 174.4097 4 V 4.6484 9.1628 118.7002 59.8553 35.8600 174.3801 5 S 5.6194 8.3117 114.8075 57.4349 65.5567 172.9556 6 V 4.5808 8.1600 123.1405 61.7402 35.4920 173.3192 7 R 5.0513 8.3984 123.9022 54.9618 32.8590 174.4999 8 R 4.6136 8.8268 125.6840 55.5056 34.5116 174.7680 9 N 3.9919 8.5388 120.7667 54.9038 37.7086 176.3232 10 G 4.0812 8.6100 111.1427 45.7974 0.0000 173.0744 11 H 4.9761 8.2284 115.7403 53.9904 33.6420 174.1595 12 V 4.9236 8.5436 122.6769 59.8889 33.8307 175.1325 13 V 4.6117 8.7962 122.9129 61.1733 35.4369 173.9811 14 I 5.2376 8.3440 125.1321 59.5393 40.5449 174.7468 15 A 4.6726 9.2953 128.2941 50.4385 22.5749 175.1560 16 G 4.8410 8.5651 108.3420 44.1760 0.0000 172.1945 17 D 4.9566 8.3507 119.5385 52.7801 41.7874 177.0821 18 G 4.2503 8.2077 106.4002 46.3051 0.0000 172.0330 19 Q 4.4529 8.6108 122.9342 55.2919 29.6287 176.1722 20 A 4.5172 9.4006 131.8043 50.9820 17.9253 175.6028 21 T 4.5478 7.8991 114.6299 60.9976 69.1007 174.2898 22 L 4.2745 8.9459 129.0631 54.6787 44.3428 173.6621 23 G 4.1978 8.7577 117.0597 45.3724 0.0000 173.3654 24 N 4.7168 7.6036 114.1071 52.0656 38.4942 174.5063 25 T 4.5055 8.3581 113.4639 60.8744 70.3936 172.8283 26 V 4.3462 8.3697 128.5246 62.2992 31.8077 175.4714 27 M 4.2415 9.2563 126.4285 57.2955 31.9337 176.0914 28 K 4.5296 7.6578 118.1824 55.7609 35.7490 175.3004 29 G 4.9756 7.9613 109.5201 43.3940 0.0000 172.9949 30 N 4.5930 7.3710 107.2334 52.3488 38.4850 175.7311 31 V 3.7531 7.5898 112.9907 62.0228 32.2674 176.0047 32 K 4.4621 8.5796 124.3650 55.7447 31.2804 176.8223 33 K 3.6324 8.4380 124.3066 57.0529 32.7168 176.8959 34 V 5.0332 7.4243 118.4873 61.2734 33.7291 174.6765 35 R 4.7630 8.8858 122.7717 55.6685 33.2138 173.2443 36 R 4.9367 8.4464 114.7141 54.6484 32.1770 175.0614 37 L 4.5997 8.5483 120.9593 54.3062 45.3210 175.6245 38 Y 3.6323 9.7144 114.7158 61.4045 37.1086 172.8210 38A N 4.2133 8.7348 123.8157 54.8854 36.5242 174.0685 39 D 4.4636 7.8972 109.7079 55.6239 39.6697 175.5914 40 K 4.3836 7.9478 120.0615 56.4787 34.5518 176.0048 41 V 4.6171 7.5823 117.7011 61.0246 34.5571 174.8381 42 I 4.7884 8.5523 127.5958 60.1138 40.4788 174.0301 43 A 5.0676 8.6254 123.8445 51.6940 23.1642 175.5399 44 G 4.6408 9.6903 106.1165 44.7031 0.0000 171.9627 45 F 5.7842 8.7754 117.4939 54.6456 40.8457 174.1427 46 A 4.4924 9.5859 122.2511 49.5989 21.0058 173.0596 47 G 4.2384 8.7561 110.5230 44.5837 0.0000 174.9189 48 G 4.0324 8.7275 115.4502 45.5082 0.0000 175.0974 49 T 2.9929 7.8599 122.3909 66.2596 68.7772 174.6451 50 A 3.7648 7.6982 122.6435 54.2322 18.1118 178.9495 51 D 4.4549 8.1350 115.4629 56.6149 41.3189 178.9709 52 A 3.3242 7.6814 120.0301 55.2697 18.0130 179.1419 53 F 4.0708 8.5506 115.3794 61.1589 39.0245 178.2137 54 T 3.8466 8.1890 115.2527 66.6250 68.2002 176.6317 55 L 3.6739 8.0527 120.8947 57.7389 41.6195 179.3206 56 F 4.6861 8.4560 118.1815 61.3485 38.8089 177.2092 57 E 3.9493 8.5210 117.9819 59.2549 29.1642 178.8064 58 L 3.8855 8.2924 119.8758 58.6102 42.1803 179.3882 59 F 4.1689 9.0363 120.6624 61.3315 39.4448 176.8184 60 E 3.7955 8.8799 118.9585 58.5418 29.3194 178.8822 61 R 4.2747 7.9444 120.7674 58.9845 30.1091 178.5536 62 K 4.0222 8.0250 116.6958 58.9441 32.1444 178.6183 63 L 3.9409 7.6737 121.9370 57.6300 42.0486 178.3389 64 E 3.9984 8.4096 116.8960 59.7151 29.5947 178.5085 65 M 4.3079 7.9531 115.2455 56.8468 31.9698 176.3961 66 H 4.7513 8.4335 113.6094 56.4084 30.7959 173.9029 67 Q 3.7523 8.0007 120.0793 57.1908 27.6804 174.7012 *74 G 3.8238 8.0577 107.0796 43.6744 0.0000 173.9281 75 H 4.5479 7.9091 122.0594 54.1976 27.4401 174.9509 76 L 3.8179 8.0040 126.1265 58.2983 42.4856 177.7115 77 V 3.4570 8.0104 116.2724 66.4619 31.3606 177.4846 78 K 3.6339 7.7466 117.7622 59.6497 32.0538 178.2549 79 A 4.1670 7.8974 120.4757 55.4017 18.1356 179.3264 80 A 4.3802 8.6713 119.1076 55.5298 18.5658 179.8149 81 V 3.5715 8.2548 116.9524 66.2757 31.6669 177.5586 82 E 3.9469 9.0104 119.8021 59.4018 29.3367 178.3538 83 L 4.0191 8.3525 119.9233 58.4084 42.2068 178.5732 84 A 4.3831 8.6619 120.9680 56.1159 17.9839 178.5355 85 K 4.0210 8.1711 117.5906 58.7393 31.9360 177.9009 86 D 4.6286 8.4751 118.0040 57.9244 41.1523 178.8269 87 W 4.5233 8.7974 128.8244 60.6253 30.4079 177.4375 88 R 4.4631 8.4023 117.5182 55.6900 30.3798 176.8523 89 T 4.2119 8.2433 112.3029 62.7087 69.9851 175.7828 90 D 4.2293 6.0500 124.2392 54.8536 40.5657 178.1942 *92 R 4.2271 8.6176 123.2469 56.6126 31.7051 176.3358 93 M 4.1109 7.9361 116.2679 59.0762 32.1261 177.9500 93A L 4.0710 8.7177 118.9585 57.6938 41.6935 179.2728 93B R 4.0785 7.7514 117.1887 58.3268 29.9500 177.8031 94 K 4.3245 8.0374 117.2623 57.8217 32.9444 177.3941 95 L 4.2835 7.5385 119.2457 54.6151 42.0062 176.0967 96 E 4.8222 8.5501 123.3823 54.2106 32.6033 174.6768 97 A 4.6300 8.0346 123.3222 52.4863 23.7173 174.3444 98 L 5.2239 8.0080 114.2299 53.5973 46.6386 175.6954 99 L 5.3151 9.6316 123.5071 52.9740 44.7489 175.1514 100 A 5.0940 9.5811 127.0169 50.4360 20.8046 175.7848 101 V 4.9395 8.6137 121.9310 61.6417 35.4850 174.1414 102 A 5.5474 8.6213 126.5662 52.4671 23.3323 175.0168 103 D 4.3138 8.0620 115.5531 53.6649 42.3938 175.1886 104 E 4.0184 9.2272 117.7178 60.4003 28.7981 178.2194 105 T 3.4202 7.1661 112.0688 67.3888 69.2852 176.7427 *109 A 4.6993 7.4748 125.4414 52.3844 21.2366 175.1756 110 S 5.3287 8.4588 109.4009 57.3144 66.9852 174.0225 111 L 4.7916 9.3267 122.7968 54.9898 44.1068 174.2275 112 I 4.6731 9.0774 124.0850 61.1218 38.9070 174.9130 113 I 5.1525 9.1242 127.2301 59.8554 40.0792 174.7261 114 T 4.5802 8.6844 117.4929 59.6268 71.0787 175.9059 115 G 2.0000 7.0237 110.1074 48.3406 0.0000 174.4035 116 N 4.0470 7.0343 117.6331 55.8676 38.8718 174.6774 117 G 4.0919 7.4179 106.4374 45.3504 0.0000 170.9830 118 D 4.3217 7.8206 118.8523 53.6683 45.4427 174.4871 119 V 4.8429 8.6647 124.1484 61.0377 33.9070 174.8926 120 V 4.4947 9.2412 127.1489 61.3462 35.2265 173.7142 121 Q 5.0288 8.6713 126.7695 53.5598 29.8735 173.9891 122 P 4.4729 0.0000 0.0000 62.2662 32.1656 176.1976 123 E 4.1358 8.5313 116.6022 56.8404 29.3912 177.1278 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 1 T 8.17 4.45 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 1.21 0.00 0.00 2 T 9.17 4.60 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 1.20 0.00 0.00 3 I 9.06 5.14 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.95 0.00 0.00 4 V 9.16 4.65 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 0.73 0.00 0.00 0.96 0.00 0.00 5 S 8.31 5.62 0.00 3.83 3.67 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 6 V 8.16 4.58 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 0.87 0.00 0.00 0.93 0.00 0.00 7 R 8.40 5.05 0.00 1.80 1.75 0.00 3.23 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 8 R 8.83 4.61 0.00 1.82 1.78 0.00 3.50 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 9 N 8.54 3.99 0.00 2.93 2.16 0.00 0.00 7.01 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 10 G 8.61 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 11 H 8.23 4.98 0.00 3.05 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.54 4.92 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 0.71 0.00 0.00 1.01 0.00 0.00 13 V 8.80 4.61 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 0.92 0.00 0.00 0.94 0.00 0.00 14 I 8.34 5.24 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.97 0.00 0.00 15 A 9.30 4.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.57 4.84 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 0.00 0.00 0.00 17 D 8.35 4.96 0.00 2.78 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 18 G 8.21 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 19 Q 8.61 4.45 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 20 A 9.40 4.52 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 21 T 7.90 4.55 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 1.27 0.00 0.00 22 L 8.95 4.27 0.00 1.65 1.45 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.76 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 0.00 0.00 0.00 24 N 7.60 4.72 0.00 2.79 2.83 0.00 0.00 5.66 7.71 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 25 T 8.36 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 1.27 0.00 0.00 26 V 8.37 4.35 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 0.95 0.00 0.00 0.93 0.00 0.00 27 M 9.26 4.24 0.00 2.13 2.17 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 2.58 2.72 0.00 28 K 7.66 4.53 0.00 1.77 1.64 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 29 G 7.96 4.98 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 30 N 7.37 4.59 0.00 2.77 2.84 0.00 0.00 6.40 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 31 V 7.59 3.75 2.16 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 0.95 0.00 0.00 0.95 0.00 0.00 32 K 8.58 4.46 0.00 1.88 1.89 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.58 7.81 33 K 8.44 3.63 0.00 1.58 1.34 0.00 1.73 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.10 1.28 7.81 34 V 7.42 5.03 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 0.93 0.00 0.00 0.92 0.00 0.00 35 R 8.89 4.76 0.00 1.89 2.13 0.00 2.88 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.34 0.00 36 R 8.45 4.94 0.00 1.77 1.88 0.00 2.97 0.00 0.00 3.35 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 37 L 8.55 4.60 0.00 1.58 1.82 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 9.71 3.63 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38A N 8.73 4.21 0.00 2.89 2.81 0.00 0.00 7.22 8.04 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 39 D 7.90 4.46 0.00 2.79 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 40 K 7.95 4.38 0.00 1.86 1.65 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.29 7.81 41 V 7.58 4.62 2.13 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 1.02 0.00 0.00 0.84 0.00 0.00 42 I 8.55 4.79 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 1.15 0.69 0.97 0.00 0.00 43 A 8.63 5.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.69 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.78 5.78 0.00 2.89 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 A 9.59 4.49 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 47 G 8.76 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 0.00 0.00 0.00 48 G 8.73 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 49 T 7.86 2.99 3.76 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 0.83 0.00 0.00 50 A 7.70 3.76 1.14 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 0.00 0.00 51 D 8.13 4.45 0.00 2.60 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 52 A 7.68 3.32 0.34 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 53 F 8.55 4.07 0.00 3.15 3.09 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 54 T 8.19 3.85 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 1.18 0.00 0.00 55 L 8.05 3.67 0.00 1.38 1.14 0.32 -1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.46 4.69 0.00 2.91 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 57 E 8.52 3.95 0.00 2.23 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 2.29 2.45 0.00 58 L 8.29 3.89 0.00 1.81 1.81 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 59 F 9.04 4.17 0.00 3.20 3.43 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 60 E 8.88 3.80 0.00 2.24 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 2.24 2.35 0.00 61 R 7.94 4.27 0.00 1.87 2.05 0.00 3.18 0.00 0.00 3.24 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 62 K 8.02 4.02 0.00 1.80 1.88 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.66 7.81 63 L 7.67 3.94 0.00 1.57 1.76 0.63 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 64 E 8.41 4.00 0.00 2.11 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 2.51 2.26 0.00 65 M 7.95 4.31 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 66 H 8.43 4.75 0.00 3.23 3.20 0.00 5.97 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.00 3.75 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 *74 G 8.06 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 75 H 7.91 4.55 0.00 3.15 3.18 0.00 5.63 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 76 L 8.00 3.82 0.00 1.97 1.70 1.15 0.98 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 77 V 8.01 3.46 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 0.88 0.00 0.00 1.03 0.00 0.00 78 K 7.75 3.63 0.00 1.62 1.75 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 1.18 7.81 79 A 7.90 4.17 1.15 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 0.00 0.00 0.00 0.00 0.00 80 A 8.67 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.25 3.57 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 1.01 0.00 0.00 0.99 0.00 0.00 82 E 9.01 3.95 0.00 2.19 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 2.44 2.45 0.00 83 L 8.35 4.02 0.00 2.23 2.18 1.09 1.17 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 84 A 8.66 4.38 1.49 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 85 K 8.17 4.02 0.00 2.02 1.95 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.52 7.81 86 D 8.48 4.63 0.00 3.02 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 87 W 8.80 4.52 0.00 3.55 3.26 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 88 R 8.40 4.46 0.00 1.93 2.01 0.00 3.25 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 89 T 8.24 4.21 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 1.25 0.00 0.00 90 D 6.05 4.23 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 R 8.62 4.23 0.00 1.83 2.05 0.00 3.43 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 93 M 7.94 4.11 0.00 2.43 2.05 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 2.70 2.72 0.00 93A L 8.72 4.07 0.00 1.84 2.11 0.88 0.87 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 93B R 7.75 4.08 0.00 1.87 2.19 0.00 3.42 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 1.62 1.82 0.00 94 K 8.04 4.32 0.00 1.94 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.64 7.81 95 L 7.54 4.28 0.00 1.94 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.55 4.82 0.00 1.92 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 2.18 2.21 0.00 97 A 8.03 4.63 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 5.22 0.00 1.68 1.58 0.94 0.72 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 99 L 9.63 5.32 0.00 1.63 1.63 0.86 0.40 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 0.00 100 A 9.58 5.09 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 0.00 101 V 8.61 4.94 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 1.00 0.00 0.00 0.75 0.00 0.00 102 A 8.62 5.55 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.06 4.31 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 4.02 0.00 1.94 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 2.30 2.32 0.00 105 T 7.17 3.42 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *109 A 7.47 4.70 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 8.46 5.33 0.00 3.72 3.73 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 0.00 111 L 9.33 4.79 0.00 1.67 1.82 1.01 0.97 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 0.00 112 I 9.08 4.67 2.00 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 1.25 0.71 0.94 0.00 0.00 113 I 9.12 5.15 2.12 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 1.21 0.00 0.00 114 T 8.68 4.58 4.07 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 1.16 0.00 0.00 115 G 7.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.03 4.05 0.00 2.58 2.71 0.00 0.00 7.38 7.82 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 0.00 117 G 7.42 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 0.00 118 D 7.82 4.32 0.00 2.47 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 0.00 119 V 8.66 4.84 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 0.83 0.00 0.00 0.99 0.00 0.00 120 V 9.24 4.49 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 0.73 0.00 0.00 0.93 0.00 0.00 121 Q 8.67 5.03 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 122 P 0.00 4.47 0.00 2.18 2.11 0.00 3.91 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 1.99 2.00 0.00 123 E 8.53 4.14 0.00 1.98 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 0.00 2.31 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.