NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8491 8.2048 120.4291 55.5482 33.3718 174.4086 2 K 4.6581 8.7669 124.3789 54.2095 36.6997 173.8062 3 K 5.1433 8.8579 121.4243 54.8474 35.2825 175.4248 4 L 4.7856 8.8586 124.4885 53.5970 45.1647 175.0830 5 Q 5.3739 8.8751 124.5585 54.1943 32.7972 174.3571 6 I 5.0076 9.0505 123.5340 59.4820 40.5970 174.3005 7 A 4.9911 9.2976 129.3891 50.8541 20.5545 176.0293 8 V 4.7272 9.3158 123.2307 60.9249 34.6234 174.3492 9 G 4.3141 8.8956 115.1821 44.7753 0.0000 173.3769 10 I 4.2798 8.8948 127.6989 59.7767 38.1928 174.0999 11 I 4.5971 8.1075 128.0621 60.3038 38.2241 174.5964 12 R 5.5280 8.9079 128.6002 54.7710 32.1010 175.5533 13 N 5.1213 9.0656 124.5806 51.8385 39.6723 174.4693 14 E 4.1731 8.6281 116.0852 58.6755 29.7014 177.1908 15 N 4.8413 8.5118 116.2183 52.6109 39.1401 174.0807 16 N 4.2794 8.2000 114.1639 55.0938 37.7408 172.8002 17 E 5.5043 8.4591 114.2290 54.2937 33.3372 175.5686 18 I 5.3825 9.0424 116.4129 59.1655 41.0425 174.3978 19 F 4.2593 8.6517 127.7018 57.3393 39.5059 174.6444 20 I 4.7177 8.0925 119.9574 59.1476 41.2882 174.3469 21 T 4.5615 8.5164 113.1394 59.9002 71.5936 172.9833 22 R 4.9184 8.2262 122.9510 54.5408 32.3738 175.1905 23 R 4.5894 8.0770 121.8781 54.5170 31.6951 177.2057 24 A 3.9896 8.5344 122.6018 54.7402 18.7503 177.7240 *29 M 4.2175 7.7216 115.4046 55.0749 33.0850 176.7816 30 A 4.0024 7.8377 120.2256 54.2822 19.1518 178.5857 31 N 5.2703 7.3826 111.3131 52.1331 40.6267 174.8108 32 K 4.2820 7.9060 117.4725 56.2610 33.4766 176.2587 33 L 4.3615 8.4307 123.3095 54.0818 43.4257 175.6829 34 E 4.6265 8.6290 120.2564 55.0134 34.5490 174.3222 35 F 5.1309 8.6610 119.5593 55.8539 40.7689 174.4179 36 P 4.4541 0.0000 0.0000 62.5101 32.5603 175.7074 37 G 4.2787 8.0225 110.0328 46.8605 0.0000 171.4456 38 G 4.5116 7.8703 106.0338 45.7932 0.0000 172.7271 39 K 4.7184 8.5892 121.6146 56.3795 32.9646 176.2306 40 I 4.1938 8.5327 128.7835 60.8626 37.8368 176.0846 41 E 4.3010 9.4530 127.4580 55.3012 30.4739 175.8869 42 M 4.1936 8.2523 120.6377 57.0554 32.7051 176.7266 43 G 3.9353 8.9938 113.1235 45.3088 0.0000 172.4310 44 E 4.5882 7.6715 119.6754 54.0760 31.9559 176.2658 45 T 4.2899 8.0072 115.8501 60.2315 71.8000 174.0829 46 P 3.8237 0.0000 0.0000 65.6753 31.0990 178.9160 47 E 3.2850 7.8090 116.8011 59.2916 29.3974 179.2434 48 Q 3.9056 8.0169 117.8683 58.6784 28.6389 178.7285 49 A 4.0840 8.0433 122.3602 55.1402 18.4515 180.1353 50 V 3.4551 7.2964 117.4029 64.5259 31.3146 178.9398 51 V 3.2355 7.1334 118.6710 65.6823 31.3281 178.0072 52 R 3.9559 7.9490 118.5302 59.5441 30.0273 178.2109 53 E 3.8861 8.3806 118.7524 59.5333 29.4544 179.4617 54 L 3.9634 7.8012 118.8651 57.5086 41.1065 179.5463 55 Q 4.2874 8.0222 119.5647 58.4075 28.4267 178.6705 56 E 3.8752 8.1566 118.6519 59.3905 29.5292 178.5193 57 E 4.2057 8.3561 118.9129 57.4901 29.9247 177.4583 58 V 4.2942 7.3423 117.7811 60.6612 32.8417 176.6277 59 G 3.8912 7.7528 105.1679 45.8051 0.0000 172.9349 60 I 4.7924 7.3807 111.2031 58.8607 40.7244 174.2441 61 T 4.6864 8.6088 118.6079 61.0970 70.3195 172.1157 62 P 4.7026 0.0000 0.0000 63.2876 31.4302 175.8748 63 Q 4.6330 9.7140 122.6867 57.1441 31.4592 175.3530 64 H 5.0134 8.4248 120.6849 54.4776 31.8475 172.6902 65 F 6.0812 8.3818 119.5250 56.3423 40.9644 173.3024 66 S 5.0309 8.8745 112.7137 56.7631 66.7037 172.7638 67 L 3.8279 8.8251 123.7018 55.4425 41.6300 175.9706 68 F 4.5788 9.2893 129.7204 60.2355 40.4799 175.2888 69 E 4.6032 7.7639 116.5575 54.9788 33.1050 174.0320 70 K 4.7789 8.8961 125.8997 54.8971 34.9382 175.1805 71 L 4.7019 8.7954 127.7155 52.9642 44.3489 175.4267 72 E 5.0706 8.3366 121.7180 54.7425 32.6205 175.0510 73 Y 4.2667 8.6164 120.2537 56.1544 42.0473 174.0653 74 E 4.6836 8.5997 123.8252 54.7864 31.2621 175.3803 75 F 5.2419 8.6210 123.3483 54.3591 42.2060 173.5280 76 P 4.3795 0.0000 0.0000 64.3907 31.1993 176.1826 77 D 4.5728 9.4485 120.7749 54.5829 40.0410 172.5425 78 R 5.0741 8.2764 116.1189 55.3062 35.2291 173.2588 79 H 5.0950 9.1612 123.4428 54.3904 32.6301 172.3170 80 I 5.6622 8.4383 126.5461 59.2242 39.8696 174.7354 81 T 4.9889 8.4995 121.9840 61.7665 72.4367 172.5143 82 L 4.9831 9.0292 126.9078 52.9395 44.1873 175.5072 83 W 4.7197 9.3445 125.3727 55.1300 31.0673 175.2711 84 F 4.9822 9.0953 125.6213 55.9313 40.2119 175.1127 85 W 5.3267 9.2931 124.8978 54.8474 31.8205 175.0401 86 L 4.7368 9.3713 127.8447 54.3008 42.9514 175.4058 87 V 4.7719 9.0529 128.3150 61.9461 32.3763 175.6188 88 E 4.9520 9.4071 127.5327 56.7717 31.5599 176.4938 89 R 4.5294 8.1789 119.3672 54.4517 33.8587 173.6353 90 W 5.4969 7.8337 120.9194 55.8991 31.3995 172.6255 91 E 4.5562 9.5189 121.5378 55.9936 31.3179 176.0613 92 G 4.2755 9.6165 111.9035 44.3386 0.0000 171.4013 93 E 4.9262 8.3175 118.2320 53.5666 32.1550 173.9210 94 P 4.4213 0.0000 0.0000 62.8623 31.7221 175.4480 95 W 4.9868 8.6867 120.1133 55.2617 32.2254 174.9100 96 G 3.9963 8.5304 109.1584 43.6743 0.0000 174.2082 97 K 2.0000 6.3708 122.0212 58.1798 32.6405 176.9927 98 E 4.4333 7.4806 117.5021 55.8739 30.0075 176.9595 99 G 3.8976 8.0990 106.4900 45.5151 0.0000 175.2605 100 Q 4.4492 7.2005 118.6518 53.3384 27.6568 172.4948 101 P 4.5592 0.0000 0.0000 63.6239 32.3368 176.4964 102 G 3.7082 8.4157 110.8192 44.5819 0.0000 171.7868 103 E 4.7439 7.9464 115.9339 54.5861 33.3603 174.3877 104 W 5.0401 8.8248 121.5324 56.5021 30.2868 175.5701 105 M 4.8924 9.2106 124.9221 53.2251 34.4050 175.6422 106 S 4.7678 8.7703 117.9649 58.1350 63.5716 174.9804 107 L 4.2520 8.6532 126.5934 57.6680 41.7154 180.0853 108 V 3.6773 7.6481 111.8201 63.6746 31.4818 177.1318 109 G 4.0309 7.6581 104.8343 45.0589 0.0000 173.2866 110 L 4.5282 7.4533 119.9743 53.5183 42.9048 175.6538 111 N 5.0109 8.5230 119.9204 51.3034 41.6490 174.9830 112 A 4.0117 8.7770 127.8075 55.5000 18.5996 179.0964 113 D 4.4936 8.2590 113.9557 56.8178 41.0989 176.9342 114 D 4.5430 8.5811 118.9225 55.1100 41.2844 175.8907 115 F 5.2663 7.9162 117.0153 53.6071 41.9992 173.6461 116 P 4.4958 0.0000 0.0000 61.7794 32.0520 175.7197 117 P 4.2674 0.0000 0.0000 66.6191 30.4645 178.3593 118 A 4.2161 8.1535 118.7444 55.0750 18.5951 178.5558 119 N 4.5193 8.4072 113.6646 54.5018 38.7381 176.6589 120 E 3.8831 8.1552 122.4097 59.1624 29.6155 177.2308 121 P 4.2349 0.0000 0.0000 65.6431 31.2451 178.5015 122 V 3.5559 7.4513 117.7750 65.8136 31.4719 177.9506 123 I 3.6274 7.8003 119.3977 64.1591 36.6840 178.1232 124 A 3.9716 7.7361 120.5510 55.1670 18.6006 179.3252 125 K 4.0497 7.9038 117.6277 59.6433 32.0553 178.9896 126 L 4.1937 8.0954 118.3247 57.7728 41.6779 179.1094 127 K 4.2874 8.1339 115.9043 57.7790 32.3000 178.3050 128 R 3.9059 8.1001 118.9997 53.5005 29.6629 176.2279 129 L 4.0307 8.3738 126.4604 56.7218 41.7826 175.0763 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 M 8.20 4.85 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 2 K 8.77 4.66 0.00 1.70 1.66 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.66 7.81 3 K 8.86 5.14 0.00 1.69 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 4 L 8.86 4.79 0.00 1.78 1.53 0.96 0.54 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 5 Q 8.88 5.37 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 6 I 9.05 5.01 1.89 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 1.21 1.06 0.91 0.00 0.00 7 A 9.30 4.99 1.25 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 8 V 9.32 4.73 1.59 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 1.06 0.00 0.00 0.50 0.00 0.00 9 G 8.90 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 10 I 8.89 4.28 1.75 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.34 0.68 0.00 0.00 11 I 8.11 4.60 1.65 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.64 0.12 0.00 0.00 12 R 8.91 5.53 0.00 1.94 1.97 0.00 3.34 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 13 N 9.07 5.12 0.00 2.74 2.61 0.00 0.00 7.07 7.17 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 14 E 8.63 4.17 0.00 1.93 2.02 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 2.27 2.25 0.00 15 N 8.51 4.84 0.00 2.91 2.82 0.00 0.00 6.95 8.73 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 16 N 8.20 4.28 0.00 2.99 2.88 0.00 0.00 6.89 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 17 E 8.46 5.50 0.00 2.31 2.19 0.00 0.00 0.00 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 2.58 0.00 18 I 9.04 5.38 2.13 0.00 0.00 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 1.43 1.50 1.09 0.00 0.00 19 F 8.65 4.26 0.00 1.51 2.49 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 20 I 8.09 4.72 1.65 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.84 0.00 0.00 21 T 8.52 4.56 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 1.06 0.00 0.00 22 R 8.23 4.92 0.00 1.62 1.68 0.00 3.17 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 23 R 8.08 4.59 0.00 1.80 1.95 0.00 2.88 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 24 A 8.53 3.99 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 *29 M 7.72 4.22 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 30 A 7.84 4.00 1.25 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 31 N 7.38 5.27 0.00 2.62 2.68 0.00 0.00 7.00 7.49 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 32 K 7.91 4.28 0.00 1.59 1.66 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.38 7.81 33 L 8.43 4.36 0.00 0.27 0.64 0.55 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.63 4.63 0.00 1.74 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 0.00 2.24 2.18 0.00 35 F 8.66 5.13 0.00 3.12 3.15 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 36 P 0.00 4.45 0.00 2.10 1.99 0.00 4.13 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 37 G 8.02 4.28 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 0.00 38 G 7.87 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.59 4.72 0.00 1.79 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.49 7.81 40 I 8.53 4.19 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.82 0.00 0.00 41 E 9.45 4.30 0.00 1.95 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 2.29 2.36 0.00 42 M 8.25 4.19 0.00 1.95 1.97 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 2.58 2.60 0.00 43 G 8.99 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 0.00 0.00 0.00 44 E 7.67 4.59 0.00 1.88 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 2.11 2.12 0.00 45 T 8.01 4.29 4.15 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 1.17 0.00 0.00 46 P 0.00 3.82 0.00 1.80 0.64 0.00 3.39 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.41 0.00 47 E 7.81 3.28 0.00 1.93 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 2.26 2.00 0.00 48 Q 8.02 3.91 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 49 A 8.04 4.08 1.32 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 0.00 0.00 0.00 50 V 7.30 3.46 1.60 0.00 0.00 0.00 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 0.75 0.00 0.00 51 V 7.13 3.24 2.07 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 0.92 0.00 0.00 0.77 0.00 0.00 52 R 7.95 3.96 0.00 1.84 1.82 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 53 E 8.38 3.89 0.00 1.97 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 2.37 2.45 0.00 54 L 7.80 3.96 0.00 1.76 1.54 0.82 0.77 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 55 Q 8.02 4.29 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 56 E 8.16 3.88 0.00 1.98 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 2.30 2.40 0.00 57 E 8.36 4.21 0.00 1.93 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 2.18 2.48 0.00 58 V 7.34 4.29 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 0.69 0.00 0.00 0.88 0.00 0.00 59 G 7.75 3.89 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 0.00 0.00 0.00 60 I 7.38 4.79 1.94 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.96 0.74 0.00 0.00 61 T 8.61 4.69 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 1.25 0.00 0.00 62 P 0.00 4.70 0.00 1.48 1.78 0.00 3.50 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 1.66 1.95 0.00 63 Q 9.71 4.63 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 64 H 8.42 5.01 0.00 3.29 3.37 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.38 6.08 0.00 3.28 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 66 S 8.87 5.03 0.00 4.02 4.04 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 67 L 8.83 3.83 0.00 1.38 1.58 0.25 0.58 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 68 F 9.29 4.58 0.00 2.99 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 69 E 7.76 4.60 0.00 1.87 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 70 K 8.90 4.78 0.00 1.37 1.34 0.00 1.07 0.00 0.00 1.25 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.94 0.37 7.81 71 L 8.80 4.70 0.00 1.86 1.47 1.09 0.39 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 72 E 8.34 5.07 0.00 1.60 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 2.02 2.12 0.00 73 Y 8.62 4.27 0.00 2.39 1.83 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 74 E 8.60 4.68 0.00 1.76 1.86 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 2.27 2.22 0.00 75 F 8.62 5.24 0.00 3.09 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.38 0.00 2.09 2.07 0.00 3.91 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 2.08 2.16 0.00 77 D 9.45 4.57 0.00 2.92 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 78 R 8.28 5.07 0.00 1.91 1.87 0.00 3.35 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 79 H 9.16 5.09 0.00 3.25 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.44 5.66 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 0.98 0.00 0.00 81 T 8.50 4.99 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 0.71 0.00 0.00 82 L 9.03 4.98 0.00 1.72 1.34 1.17 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 W 9.34 4.72 0.00 3.26 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 84 F 9.10 4.98 0.00 3.05 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 85 W 9.29 5.33 0.00 3.25 3.27 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 0.00 86 L 9.37 4.74 0.00 1.74 1.76 0.82 0.74 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 87 V 9.05 4.77 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 1.14 0.00 0.00 0.91 0.00 0.00 88 E 9.41 4.95 0.00 2.16 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 0.00 2.43 2.42 0.00 89 R 8.18 4.53 0.00 1.81 1.77 0.00 3.11 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 90 W 7.83 5.50 0.00 3.41 3.23 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 91 E 9.52 4.56 0.00 2.13 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 2.30 2.29 0.00 92 G 9.62 4.28 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 0.00 93 E 8.32 4.93 0.00 2.04 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 2.28 2.55 0.00 94 P 0.00 4.42 0.00 0.88 0.49 0.00 4.07 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 95 W 8.69 4.99 0.00 3.55 3.14 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 96 G 8.53 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 0.00 0.00 0.00 97 K 6.37 2.00 0.00 0.79 1.43 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.19 1.21 7.81 98 E 7.48 4.43 0.00 2.06 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 2.22 2.25 0.00 99 G 8.10 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 0.00 0.00 0.00 100 Q 7.20 4.45 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 101 P 0.00 4.56 0.00 2.06 2.11 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 102 G 8.42 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 0.00 0.00 0.00 103 E 7.95 4.74 0.00 1.91 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 1.95 2.13 0.00 104 W 8.82 5.04 0.00 3.30 3.32 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 0.00 105 M 9.21 4.89 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 106 S 8.77 4.77 0.00 3.93 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 0.00 107 L 8.65 4.25 0.00 1.84 1.76 1.15 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.65 3.68 2.11 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 0.68 0.00 0.00 0.97 0.00 0.00 109 G 7.66 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 0.00 110 L 7.45 4.53 0.00 1.72 1.73 1.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.52 5.01 0.00 2.79 2.67 0.00 0.00 7.04 8.37 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 0.00 112 A 8.78 4.01 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 0.00 113 D 8.26 4.49 0.00 2.72 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 0.00 114 D 8.58 4.54 0.00 3.00 2.53 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 0.00 115 F 7.92 5.27 0.00 3.01 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 0.00 116 P 0.00 4.50 0.00 2.26 2.01 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.08 0.00 117 P 0.00 4.27 0.00 2.32 2.39 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 118 A 8.15 4.22 1.50 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 0.00 0.00 119 N 8.41 4.52 0.00 2.97 2.89 0.00 0.00 6.50 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 0.00 120 E 8.16 3.88 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 2.31 2.51 0.00 121 P 0.00 4.23 0.00 2.18 2.22 0.00 3.75 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 1.93 1.96 0.00 122 V 7.45 3.56 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 0.82 0.00 0.00 -0.13 0.00 0.00 123 I 7.80 3.63 1.74 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.12 0.79 0.00 0.00 124 A 7.74 3.97 1.32 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 0.00 0.00 0.00 125 K 7.90 4.05 0.00 1.84 2.06 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.30 1.30 7.81 126 L 8.10 4.19 0.00 1.88 1.75 0.90 0.32 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 0.00 127 K 8.13 4.29 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.51 1.70 7.81 128 R 8.10 3.91 0.00 1.97 1.78 0.00 3.31 0.00 0.00 3.27 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 129 L 8.37 4.03 0.00 1.94 1.78 0.96 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.