NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9091 8.3544 109.7374 44.8622 0.0000 173.9362 2 L 4.3815 7.3330 122.0832 52.1783 42.2910 170.3707 3 E 4.3686 9.1508 124.3290 55.7273 31.7878 178.0665 4 C 4.5153 8.3855 123.1348 60.0158 25.9764 174.1871 5 D 4.3400 7.7235 115.1324 54.8800 40.9401 175.3303 6 G 3.5237 8.8352 108.6762 45.6302 0.0000 174.7906 7 K 3.7720 8.5888 117.6923 54.9967 29.4131 170.6674 8 V 4.5496 7.4602 116.9960 61.2381 33.3236 175.6362 9 N 4.9613 8.3380 115.8772 52.6106 41.0750 174.5071 10 I 4.3522 7.6327 111.1062 59.8192 39.2301 175.6984 11 C 4.1947 8.0146 123.6077 57.2572 39.7846 172.7216 12 C 5.0240 8.9431 120.7307 56.0263 33.4041 173.7916 13 K 4.4791 8.9599 122.9526 56.6112 31.8010 176.7842 14 K 4.1790 8.0969 131.5515 55.0755 31.3732 174.1036 15 Q 4.8026 8.6151 124.8088 55.0016 30.2188 175.4646 16 F 4.9922 8.7722 115.9985 56.4949 41.7060 171.9015 17 F 4.2493 7.8716 119.6614 56.4445 42.0956 174.3277 18 V 3.9510 6.6707 125.2641 60.8224 33.7770 174.0303 19 S 4.4156 7.9405 120.8555 56.0949 64.2302 174.5100 20 F 4.3045 7.7436 126.2836 61.4583 38.7748 176.6930 21 K 4.3657 8.3812 116.1380 60.6134 31.5621 177.2479 22 D 4.6069 8.0059 122.5186 56.2850 41.2414 177.7430 23 I 4.0968 7.5130 119.7187 60.8374 38.3401 176.7774 24 G 4.2030 8.6482 108.5584 45.1209 0.0000 175.3802 25 W 4.6534 8.6542 119.1047 59.8915 29.7025 178.5065 26 N 4.0585 7.9687 116.8826 56.5079 39.2035 175.5024 27 D 4.7687 8.0481 116.4367 55.0929 41.4157 176.7203 28 W 5.1254 7.9552 114.3382 55.6104 29.3086 174.6223 29 I 4.3838 6.8887 120.3696 59.6466 36.6644 175.4185 30 I 3.7687 8.1626 126.3781 63.4687 37.1959 176.2757 31 A 4.8103 8.2781 122.2022 50.0913 22.6383 174.6925 32 P 5.1142 0.0000 0.0000 62.2829 33.7423 176.5674 33 S 4.8731 9.8065 114.0206 57.2482 63.9183 173.1943 34 G 3.3415 6.3526 113.2816 45.2209 0.0000 171.2763 35 Y 4.6668 6.0432 118.2463 55.0900 42.0712 174.4362 36 H 4.7710 9.1005 117.4809 56.1622 28.0363 173.8016 37 A 4.6499 7.3609 124.6680 50.7131 20.4795 175.6912 38 N 5.2527 8.9022 120.0408 52.7484 40.8059 174.4456 39 Y 5.2733 9.1548 121.9142 55.7174 41.5101 171.6553 40 C 5.1206 8.9789 111.9396 53.3698 45.9488 173.1288 41 E 4.8600 9.0724 117.3841 54.4383 33.0801 173.3452 42 G 4.3632 8.5530 109.9258 44.2178 0.0000 172.7814 43 E 4.3315 8.4650 123.5472 56.2666 30.5772 176.1030 44 C 5.1916 8.0665 115.5480 54.9730 37.3318 172.3846 45 P 4.6438 0.0000 0.0000 61.8151 32.7060 178.1489 46 S 4.0696 8.6612 118.4660 62.5546 63.2141 177.1427 *47 H 4.0348 8.3845 115.9760 57.8704 27.3452 178.2949 48 I 4.1879 7.6157 119.3793 61.2814 36.3420 176.9861 49 A 4.4300 7.4332 123.8454 53.3215 20.1357 180.1734 50 G 3.9336 8.0517 105.1757 48.5265 0.0000 174.0759 51 T 3.6950 7.3844 115.4227 63.5636 69.0316 175.5525 52 S 3.6692 8.2003 119.1461 57.9370 61.7285 174.5864 53 G 3.8243 8.6713 111.6093 45.9006 0.0000 172.1708 54 S 4.7545 7.8862 116.2531 56.1186 65.6462 174.8795 55 S 4.2673 8.5448 114.3519 61.8294 62.6815 176.0579 56 L 4.2005 7.9961 122.3265 56.0802 41.1699 178.7279 57 S 4.2977 8.3576 115.2059 61.1253 62.6659 175.8396 58 F 3.9766 8.2552 123.5562 60.9558 39.2228 177.1433 59 H 4.1851 8.4638 116.6823 59.4965 29.9241 176.6814 60 S 4.0575 9.0234 116.1149 61.9901 61.8476 176.4789 61 T 3.7938 10.3892 117.8865 66.5411 67.9171 176.9463 62 V 3.3637 7.7240 119.6291 65.8371 31.6002 177.9323 63 I 3.6930 7.9901 119.0713 64.0179 36.8285 177.4003 64 N 4.2836 7.9418 118.1090 56.8237 38.8751 178.7392 65 H 4.4681 7.6915 118.8782 55.7235 27.4588 175.4146 66 Y 4.7060 10.3502 114.5658 58.5371 41.1318 177.7545 67 R 4.0737 8.4381 123.7801 58.8775 29.5606 177.6921 68 M 4.0905 7.4611 119.0042 58.2560 32.7718 176.6655 69 R 4.2282 7.7178 117.1884 57.1468 30.0927 176.6722 70 G 4.1017 8.4129 102.8931 47.5886 0.0000 173.7458 71 H 4.2915 8.7058 118.0126 55.4257 30.1958 174.4937 72 S 3.6949 8.4679 115.1608 63.0150 62.8887 174.8583 73 P 4.0826 0.0000 0.0000 63.3022 31.2696 180.6931 74 F 3.3260 8.0247 117.8052 60.1489 41.8583 181.7107 75 A 3.1901 8.8795 116.9408 52.3552 20.3183 179.2767 76 N 4.0065 8.3254 117.5215 54.5492 40.1213 175.1098 77 L 4.0426 9.0224 120.2834 54.9675 42.5254 176.0312 78 K 4.4526 8.4224 127.1806 54.8171 33.5832 175.3710 79 S 4.3794 8.5903 120.9264 58.5383 63.0082 173.0818 80 C 4.7884 8.7304 124.2197 58.4102 31.5593 172.5191 81 C 5.3356 8.5849 119.6333 55.2897 43.4258 173.0050 82 V 4.6761 9.5887 118.7632 59.0116 36.7161 172.4398 83 P 4.8180 0.0000 0.0000 63.1496 30.9518 176.7075 84 T 4.5751 10.1648 117.1550 62.2884 71.4919 175.3401 85 K 4.6832 7.9711 125.0107 53.2847 35.4980 179.3567 86 L 5.2886 8.7672 124.8824 51.9063 44.9573 176.0348 87 R 4.8053 9.1232 118.5419 54.0616 32.6517 173.2783 88 P 5.2319 0.0000 0.0000 61.9228 33.7017 174.1563 89 M 4.8546 8.3412 118.3451 53.6748 36.0157 174.3592 90 S 4.6361 8.7024 120.5015 59.0292 63.9148 173.3289 91 M 5.0306 10.6600 122.2259 53.7205 36.8601 174.6400 92 L 4.8885 8.5181 122.2235 54.6184 45.6126 174.1665 93 Y 5.0558 7.6017 123.7126 56.5441 41.8583 173.0830 94 Y 5.1873 9.1785 118.0024 57.6033 39.2657 176.0761 95 D 5.0942 8.4997 121.7014 52.2059 42.2912 176.5111 96 D 4.2908 8.8559 118.0137 58.0908 40.7638 178.3239 97 G 3.8124 8.1048 104.9831 45.9631 0.0000 173.1885 98 Q 3.7981 8.0342 117.2337 57.1463 26.8332 173.0070 99 N 5.1107 10.7065 114.0064 51.6929 41.5697 174.3638 100 I 4.2928 8.1723 121.8600 61.1708 38.0559 175.6774 101 I 4.3985 8.0429 127.1265 59.1962 41.1617 174.2321 102 K 4.5451 8.5356 128.3708 55.3808 32.6788 175.3474 103 K 4.7538 9.4401 128.2506 54.7617 36.6392 174.4519 104 D 5.1064 8.5305 122.4806 52.3070 42.7623 175.9724 105 I 3.8373 8.2312 126.5767 61.2890 37.1881 175.1579 106 Q 3.9221 8.6103 124.4381 56.8451 29.1604 176.7719 107 N 4.1213 8.6035 119.9446 55.1569 36.8010 172.2827 108 M 4.6160 9.2604 119.7024 56.1747 35.6207 176.0586 109 I 4.5926 7.5210 119.2893 58.9885 40.1625 174.9553 110 V 4.2352 8.5936 130.1643 62.9415 32.1182 175.8042 111 E 4.7850 8.7734 124.1118 57.3506 31.6085 175.2820 112 E 4.6246 8.6081 119.1771 55.9584 33.4220 178.6595 113 C 4.9346 8.7083 123.2895 55.2119 40.7768 173.2198 114 G 4.1667 8.9629 104.2816 46.2439 0.0000 172.6799 115 C 4.8874 8.9723 121.8601 56.1242 42.4590 174.8197 *116 S 4.2766 8.5820 116.2632 58.5638 62.6354 174.3800 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 G 8.35 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 0.00 0.00 0.00 2 L 7.33 4.38 0.00 1.71 1.50 1.00 0.67 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 3 E 9.15 4.37 0.00 2.06 1.92 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 2.31 2.39 0.00 4 C 8.39 4.52 0.00 2.95 2.85 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 0.00 0.00 0.00 5 D 7.72 4.34 0.00 2.66 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 6 G 8.84 3.52 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 0.00 0.00 0.00 7 K 8.59 3.77 0.00 1.88 1.72 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 0.97 7.81 8 V 7.46 4.55 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 0.89 0.00 0.00 0.95 0.00 0.00 9 N 8.34 4.96 0.00 2.78 3.08 0.00 0.00 6.77 7.29 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 10 I 7.63 4.35 1.86 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 1.22 0.80 0.90 0.00 0.00 11 C 8.01 4.19 0.00 3.03 3.12 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 12 C 8.94 5.02 0.00 3.07 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 13 K 8.96 4.48 0.00 1.73 1.87 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.36 7.81 14 K 8.10 4.18 0.00 1.42 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.26 7.81 15 Q 8.62 4.80 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 16 F 8.77 4.99 0.00 3.29 3.48 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 17 F 7.87 4.25 0.00 2.62 2.54 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 18 V 6.67 3.95 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 0.42 0.00 0.00 0.54 0.00 0.00 19 S 7.94 4.42 0.00 4.21 3.69 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 20 F 7.74 4.30 0.00 3.12 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 21 K 8.38 4.37 0.00 1.77 1.79 0.00 2.15 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.41 7.81 22 D 8.01 4.61 0.00 2.62 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 23 I 7.51 4.10 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.51 0.27 0.00 0.00 24 G 8.65 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 25 W 8.65 4.65 0.00 3.23 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 26 N 7.97 4.06 0.00 2.99 2.86 0.00 0.00 7.24 8.49 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 27 D 8.05 4.77 0.00 2.94 2.84 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 28 W 7.96 5.13 0.00 3.70 3.31 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 29 I 6.89 4.38 1.32 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.70 0.00 0.00 30 I 8.16 3.77 1.85 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.06 0.85 0.00 0.00 31 A 8.28 4.81 1.24 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 32 P 0.00 5.11 0.00 2.24 2.18 0.00 4.02 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 33 S 9.81 4.87 0.00 4.02 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 0.00 34 G 6.35 3.34 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 0.00 35 Y 6.04 4.67 0.00 2.87 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 36 H 9.10 4.77 0.00 3.15 3.40 0.00 5.88 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.36 4.65 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 38 N 8.90 5.25 0.00 2.89 2.81 0.00 0.00 6.77 7.48 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 39 Y 9.15 5.27 0.00 3.16 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 40 C 8.98 5.12 0.00 2.90 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 41 E 9.07 4.86 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 2.20 2.29 0.00 42 G 8.55 4.36 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 0.00 43 E 8.46 4.33 0.00 2.08 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 0.00 2.33 2.33 0.00 44 C 8.07 5.19 0.00 2.90 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 45 P 0.00 4.64 0.00 2.16 1.95 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 46 S 8.66 4.07 0.00 3.84 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 *47 H 8.38 4.03 0.00 2.92 3.01 0.00 7.19 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.62 4.19 1.86 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 1.22 0.87 0.90 0.00 0.00 49 A 7.43 4.43 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 50 G 8.05 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 51 T 7.38 3.70 4.29 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 1.21 0.00 0.00 52 S 8.20 3.67 0.00 4.07 4.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.67 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 54 S 7.89 4.75 0.00 3.96 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 55 S 8.54 4.27 0.00 4.09 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 56 L 8.00 4.20 0.00 1.84 1.83 0.95 0.83 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 S 8.36 4.30 0.00 4.10 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 58 F 8.26 3.98 0.00 3.18 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 59 H 8.46 4.19 0.00 3.38 3.36 0.00 5.75 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 60 S 9.02 4.06 0.00 3.85 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 61 T 10.39 3.79 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 1.12 0.00 0.00 62 V 7.72 3.36 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 0.76 0.00 0.00 0.18 0.00 0.00 63 I 7.99 3.69 1.81 0.00 0.00 0.62 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 0.70 0.29 0.00 0.00 64 N 7.94 4.28 0.00 2.88 2.70 0.00 0.00 7.11 7.36 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 65 H 7.69 4.47 0.00 2.69 3.08 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 10.35 4.71 0.00 3.16 2.89 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 0.00 0.00 0.00 67 R 8.44 4.07 0.00 1.99 2.22 0.00 3.21 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 68 M 7.46 4.09 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 69 R 7.72 4.23 0.00 1.98 2.00 0.00 3.33 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 70 G 8.41 4.10 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 0.00 0.00 0.00 71 H 8.71 4.29 0.00 3.47 3.51 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.47 3.69 0.00 3.91 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 0.00 73 P 0.00 4.08 0.00 1.55 1.68 0.00 3.73 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 1.77 1.98 0.00 74 F 8.02 3.33 0.00 3.28 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 75 A 8.88 3.19 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 76 N 8.33 4.01 0.00 2.76 2.86 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 77 L 9.02 4.04 0.00 1.70 1.93 1.07 0.71 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 78 K 8.42 4.45 0.00 1.78 1.70 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 79 S 8.59 4.38 0.00 3.92 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 0.00 80 C 8.73 4.79 0.00 2.93 2.85 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 0.00 0.00 0.00 81 C 8.58 5.34 0.00 2.96 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 82 V 9.59 4.68 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 0.76 0.00 0.00 0.96 0.00 0.00 83 P 0.00 4.82 0.00 1.98 2.05 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 84 T 10.16 4.58 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 1.29 0.00 0.00 85 K 7.97 4.68 0.00 1.41 1.66 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.01 7.81 86 L 8.77 5.29 0.00 1.67 1.74 0.95 0.99 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 87 R 9.12 4.81 0.00 1.82 2.04 0.00 2.77 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 88 P 0.00 5.23 0.00 2.11 2.12 0.00 3.71 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 1.91 1.95 0.00 89 M 8.34 4.85 0.00 1.87 1.71 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 2.42 2.44 0.00 90 S 8.70 4.64 0.00 3.81 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 0.00 91 M 10.66 5.03 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.77 0.00 92 L 8.52 4.89 0.00 1.68 1.64 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.60 5.06 0.00 3.53 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 94 Y 9.18 5.19 0.00 3.02 2.98 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 95 D 8.50 5.09 0.00 2.94 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 96 D 8.86 4.29 0.00 2.67 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 97 G 8.10 3.81 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 0.00 0.00 0.00 98 Q 8.03 3.80 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 99 N 10.71 5.11 0.00 2.65 2.73 0.00 0.00 7.08 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 0.00 100 I 8.17 4.29 1.77 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 1.07 0.42 0.69 0.00 0.00 101 I 8.04 4.40 1.37 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 1.03 1.25 0.73 0.00 0.00 102 K 8.54 4.55 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.34 7.81 103 K 9.44 4.75 0.00 2.04 1.87 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 104 D 8.53 5.11 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 0.00 105 I 8.23 3.84 1.96 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 1.23 1.25 0.93 0.00 0.00 106 Q 8.61 3.92 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 107 N 8.60 4.12 0.00 2.83 2.84 0.00 0.00 6.78 7.65 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 0.00 108 M 9.26 4.62 0.00 1.85 2.15 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 109 I 7.52 4.59 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.20 0.98 0.00 0.00 110 V 8.59 4.24 2.40 0.00 0.00 0.00 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 0.00 111 E 8.77 4.79 0.00 1.96 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 2.20 2.40 0.00 112 E 8.61 4.62 0.00 1.65 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 2.14 2.15 0.00 113 C 8.71 4.93 0.00 2.83 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 0.00 114 G 8.96 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 0.00 0.00 0.00 115 C 8.97 4.89 0.00 2.87 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 *116 S 8.58 4.28 0.00 3.62 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 * Residues marked with a * may have inaccurate shift predictions.