NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7143 8.2833 119.2097 52.3393 39.6872 174.5490 6 P 3.6428 0.0000 0.0000 64.5602 31.6245 176.2516 7 L 4.0811 8.0853 119.0021 57.3236 42.4537 178.1536 8 E 3.8488 8.9769 120.4922 59.2840 29.6871 178.4081 9 A 4.2265 8.0855 120.3856 55.3827 18.4725 179.1993 10 Q 3.9520 8.0860 117.5078 59.0357 29.0730 178.3145 11 A 3.8858 7.6973 121.6673 55.1326 18.6178 179.7082 12 W 4.2802 8.2188 117.0309 59.7238 28.7872 178.7746 13 A 4.0827 7.8813 120.3132 55.1363 18.1735 179.3505 14 L 4.1032 8.0728 117.5613 58.0184 41.6737 179.8163 15 L 4.0283 8.1037 118.9117 57.6311 41.3465 178.8341 16 E 4.3306 8.0934 115.6818 57.6324 29.4685 177.1706 17 A 4.5870 7.6853 121.0469 51.8516 20.1128 176.6279 18 V 4.2658 7.7360 117.8830 61.7293 32.6251 174.3725 19 Y 4.8783 8.6980 125.7229 56.4622 40.1832 175.0459 20 D 4.5935 9.3193 123.8168 52.8193 41.6882 175.0407 21 P 4.2439 0.0000 0.0000 65.9766 31.2744 177.3046 22 E 4.0474 8.3832 118.2811 57.9703 28.6752 176.9424 23 L 4.5459 8.3039 116.4714 53.4405 42.9005 176.9287 24 G 3.9933 8.4842 106.7951 46.3875 0.0000 173.5388 25 L 4.9924 7.2984 114.8184 52.0902 45.8501 176.2042 26 D 4.3852 7.7285 119.9933 52.6957 40.3098 177.8416 27 V 3.4881 8.2386 114.8961 64.6566 32.0802 179.1248 28 V 3.7112 7.8383 119.1721 66.1315 31.7618 177.7882 29 N 4.4241 8.4997 116.9621 55.5947 38.6238 177.3743 30 L 3.9494 7.8307 119.8903 56.2620 42.2014 177.4083 31 G 4.1776 8.1013 105.2091 47.3651 0.0000 174.4464 32 L 4.0175 8.0628 121.1454 55.8244 42.0301 177.3506 33 I 4.0895 7.7625 119.6933 60.8567 37.2317 174.8709 34 Y 4.8725 8.7520 124.5374 60.0640 38.9291 175.7285 35 D 4.8366 7.8739 116.1913 53.2534 44.9216 174.1577 36 L 4.9091 8.4698 125.8749 53.6567 45.2291 175.1728 37 V 4.3367 9.4255 126.1564 61.2720 34.7157 174.1858 38 V 4.2881 8.5815 128.5954 61.4849 32.8063 175.0460 39 E 4.5839 9.1733 128.6567 52.8472 30.2998 172.4620 40 P 4.4388 0.0000 0.0000 61.6055 32.3568 174.3282 41 P 5.4962 0.0000 0.0000 62.5833 32.2845 175.5971 42 R 5.3040 8.1527 119.3859 54.4225 33.5466 174.9006 43 A 5.1319 8.5726 121.9949 50.4649 22.6810 174.5039 44 Y 5.2906 9.5423 123.5201 55.7956 42.6817 174.6456 45 V 4.5062 7.7346 124.1624 60.1303 35.1576 173.5245 46 R 4.9394 8.4262 124.2107 53.9515 33.1017 175.0051 *48 T 3.9619 8.0582 117.0445 61.9008 68.2565 172.2283 49 L 4.6751 7.7530 120.8305 52.6987 44.7782 177.2039 50 T 3.4431 8.0177 110.0505 63.2224 69.1752 174.6825 51 T 4.7785 7.4527 111.2934 58.6931 71.6926 171.7796 52 P 3.7944 0.0000 0.0000 63.0958 32.1636 176.8650 53 G 3.9319 7.6037 103.8827 46.1154 0.0000 172.6780 54 C 4.6362 8.2486 118.3268 57.3433 29.2734 172.2038 55 P 4.4409 0.0000 0.0000 62.3157 31.5604 177.3488 56 L 4.0189 8.5050 121.7404 57.2402 41.7318 176.9066 57 H 4.5050 7.7842 118.4828 54.1172 31.5276 173.4572 58 D 4.5756 8.2619 128.2255 53.3061 39.1829 176.2179 59 S 4.0346 8.0117 120.6733 60.8490 63.3989 175.3112 60 L 3.9745 7.9011 122.6822 58.2429 41.8402 179.1707 61 G 4.0496 8.0383 106.4087 47.2036 0.0000 175.1257 62 E 3.8686 8.1329 121.4753 58.9530 29.5931 178.7664 63 A 3.9384 8.5335 121.2240 55.0951 18.4453 179.8168 64 V 3.4486 7.8114 116.7623 66.0578 31.6003 178.2299 65 R 3.8094 8.0379 118.5421 59.3588 29.6628 178.2805 66 Q 3.8908 8.0695 118.3291 59.1464 29.4490 177.7218 67 A 4.1105 8.3205 122.2113 55.2332 18.3522 179.6490 68 L 4.0478 8.0669 117.7220 57.6180 41.4601 179.6680 69 S 4.1945 7.8865 113.6558 61.3830 62.8437 176.2249 70 R 4.1346 7.3461 117.8434 56.2044 30.2618 176.6755 71 L 4.1442 7.7911 121.7372 53.4480 42.2331 174.8123 72 P 4.4091 0.0000 0.0000 64.1329 31.8047 176.8952 73 G 3.8630 9.0503 111.5817 45.1529 0.0000 172.6976 74 V 4.3976 7.3890 119.8987 62.1638 31.6937 174.9932 75 E 4.4651 9.4356 128.2891 58.0601 30.5608 176.7271 76 E 4.7327 8.0617 116.8548 54.3063 32.5992 174.5789 77 V 4.7710 8.4294 122.5514 61.0139 34.2053 173.9916 78 E 4.6004 9.3687 128.7288 54.4033 31.9708 174.5205 79 V 4.5174 8.4060 127.0272 61.2431 33.6463 174.2229 80 E 4.5170 8.7506 128.9059 54.6862 31.4795 175.2376 81 V 4.0839 8.2026 125.0881 61.4929 32.4162 174.7639 82 T 4.5179 7.9953 120.7022 60.5190 70.6957 173.2663 83 F 4.9844 8.6623 119.9559 56.9400 39.6819 175.1645 84 E 4.6835 8.4888 120.9005 53.8377 31.1611 174.3136 85 P 4.6688 0.0000 0.0000 61.1067 32.5231 174.1321 86 P 4.7632 0.0000 0.0000 62.2119 32.0231 176.1405 87 W 4.5190 8.9829 132.2069 57.5758 31.6542 174.8472 88 T 4.2277 6.8013 112.2903 59.5599 71.4093 174.5413 89 L 3.5180 7.9326 121.0520 57.4741 41.6786 179.5165 90 A 4.0165 7.2314 120.3355 54.4171 17.9657 178.1854 91 R 4.3131 7.5973 113.9971 56.1629 30.6425 176.7067 92 L 4.3188 7.7326 119.2400 54.5215 42.3219 177.2510 93 S 4.4097 8.7089 117.0888 57.6071 64.3144 174.9859 94 E 3.9113 8.6765 121.2701 59.2732 29.3627 178.8022 95 K 3.9578 7.9616 119.0240 59.2830 32.3501 178.4370 96 A 3.8965 7.9950 121.3865 55.0885 18.2875 179.5565 97 R 3.1809 7.8745 113.6146 57.6310 29.3345 177.9121 98 R 4.4357 7.0733 114.4367 56.8651 30.4890 177.5854 99 L 4.1933 7.3259 118.7947 57.0250 41.8356 178.5520 100 L 4.1510 7.5403 118.6934 57.7049 41.7249 176.6746 101 G 3.5799 8.4561 109.0413 45.3747 0.0000 173.4809 102 W 4.6970 7.9727 124.9930 57.4061 29.1363 175.7162 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 N 8.28 4.71 0.00 2.80 2.84 0.00 0.00 7.05 6.82 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 6 P 0.00 3.64 0.00 2.29 2.13 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 7 L 8.09 4.08 0.00 1.76 1.66 0.97 0.93 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 8 E 8.98 3.85 0.00 2.11 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 0.00 2.50 2.63 0.00 9 A 8.09 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.09 3.95 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 11 A 7.70 3.89 1.17 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 12 W 8.22 4.28 0.00 3.59 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 13 A 7.88 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.07 4.10 0.00 1.82 1.71 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.10 4.03 0.00 1.76 1.71 0.50 0.70 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 16 E 8.09 4.33 0.00 2.19 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 2.38 2.70 0.00 17 A 7.69 4.59 1.35 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 0.00 0.00 0.00 18 V 7.74 4.27 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 0.99 0.00 0.00 0.92 0.00 0.00 19 Y 8.70 4.88 0.00 2.82 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 20 D 9.32 4.59 0.00 2.58 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.22 2.19 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 22 E 8.38 4.05 0.00 1.94 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 2.31 2.35 0.00 23 L 8.30 4.55 0.00 1.74 1.68 0.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.48 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 0.00 0.00 0.00 25 L 7.30 4.99 0.00 1.63 1.45 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.73 4.39 0.00 2.46 1.66 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 27 V 8.24 3.49 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 0.59 0.00 0.00 0.91 0.00 0.00 28 V 7.84 3.71 2.35 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 1.01 0.00 0.00 1.16 0.00 0.00 29 N 8.50 4.42 0.00 2.89 2.79 0.00 0.00 6.78 6.07 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 30 L 7.83 3.95 0.00 1.77 1.66 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.10 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 0.00 0.00 0.00 32 L 8.06 4.02 0.00 1.63 1.49 0.63 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.76 4.09 2.23 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 1.54 0.91 0.84 0.00 0.00 34 Y 8.75 4.87 0.00 2.97 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 35 D 7.87 4.84 0.00 2.93 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 36 L 8.47 4.91 0.00 1.26 1.22 -0.55 0.60 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 37 V 9.43 4.34 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 0.90 0.00 0.00 1.02 0.00 0.00 38 V 8.58 4.29 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 0.85 0.00 0.00 0.84 0.00 0.00 39 E 9.17 4.58 0.00 1.98 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 2.21 2.25 0.00 40 P 0.00 4.44 0.00 2.03 2.15 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 41 P 0.00 5.50 0.00 2.07 2.18 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 2.10 1.95 0.00 42 R 8.15 5.30 0.00 1.76 1.81 0.00 3.06 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 43 A 8.57 5.13 1.16 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 0.00 0.00 44 Y 9.54 5.29 0.00 2.91 2.70 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 45 V 7.73 4.51 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 0.51 0.00 0.00 0.74 0.00 0.00 46 R 8.43 4.94 0.00 1.86 1.84 0.00 3.29 0.00 0.00 3.36 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 *48 T 8.06 3.96 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 0.91 0.00 0.00 49 L 7.75 4.68 0.00 1.77 1.49 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.02 3.44 3.79 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 0.10 0.00 0.00 51 T 7.45 4.78 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 52 P 0.00 3.79 0.00 1.97 1.91 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 53 G 7.60 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 54 C 8.25 4.64 0.00 3.03 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 55 P 0.00 4.44 0.00 2.40 2.19 0.00 3.76 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 2.07 1.98 0.00 56 L 8.51 4.02 0.00 1.65 1.81 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 H 7.78 4.51 0.00 3.01 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.26 4.58 0.00 2.76 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.03 0.00 3.90 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 60 L 7.90 3.97 0.00 1.68 1.57 0.87 0.92 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 61 G 8.04 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 62 E 8.13 3.87 0.00 2.12 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 2.29 2.35 0.00 63 A 8.53 3.94 1.35 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 0.00 0.00 0.00 64 V 7.81 3.45 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 0.84 0.00 0.00 0.89 0.00 0.00 65 R 8.04 3.81 0.00 1.94 2.01 0.00 3.11 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 66 Q 8.07 3.89 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 67 A 8.32 4.11 1.35 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 0.00 0.00 0.00 68 L 8.07 4.05 0.00 1.64 1.65 0.77 0.43 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 69 S 7.89 4.19 0.00 4.02 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 70 R 7.35 4.13 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 71 L 7.79 4.14 0.00 1.73 1.57 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.41 0.00 2.03 2.00 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 73 G 9.05 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 74 V 7.39 4.40 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 0.78 0.00 0.00 0.91 0.00 0.00 75 E 9.44 4.47 0.00 1.84 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 2.29 2.24 0.00 76 E 8.06 4.73 0.00 1.99 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 2.23 2.26 0.00 77 V 8.43 4.77 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 0.72 0.00 0.00 0.92 0.00 0.00 78 E 9.37 4.60 0.00 2.08 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 2.27 2.27 0.00 79 V 8.41 4.52 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 0.72 0.00 0.00 0.80 0.00 0.00 80 E 8.75 4.52 0.00 1.80 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 2.25 2.58 0.00 81 V 8.20 4.08 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 0.39 0.00 0.00 0.80 0.00 0.00 82 T 8.00 4.52 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 1.33 0.00 0.00 83 F 8.66 4.98 0.00 3.14 3.04 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 0.00 0.00 0.00 84 E 8.49 4.68 0.00 2.01 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 2.32 2.34 0.00 85 P 0.00 4.67 0.00 2.18 2.02 0.00 3.35 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 86 P 0.00 4.76 0.00 2.33 2.24 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 87 W 8.98 4.52 0.00 3.41 3.35 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 0.00 88 T 6.80 4.23 4.02 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 1.15 0.00 0.00 89 L 7.93 3.52 0.00 1.63 1.88 1.25 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.23 4.02 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 91 R 7.60 4.31 0.00 1.74 2.10 0.00 3.14 0.00 0.00 3.48 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.45 0.00 92 L 7.73 4.32 0.00 1.58 1.51 0.65 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.71 4.41 0.00 3.94 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 94 E 8.68 3.91 0.00 2.08 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 2.37 2.43 0.00 95 K 7.96 3.96 0.00 1.82 1.73 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 96 A 8.00 3.90 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 97 R 7.87 3.18 0.00 2.06 1.73 0.00 3.09 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 98 R 7.07 4.44 0.00 2.08 2.07 0.00 3.05 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 99 L 7.33 4.19 0.00 1.88 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.54 4.15 0.00 1.04 1.44 -0.32 0.65 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 0.00 101 G 8.46 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.97 4.70 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.