NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7150 8.2714 118.2151 52.4193 39.0299 174.6466 12 G 3.4455 8.4739 103.8998 47.1120 0.0000 170.6279 13 V 3.6558 8.0204 120.3358 65.9865 31.9834 175.9461 14 H 4.2489 8.7823 118.1634 59.3191 29.7289 176.9797 15 D 4.2758 7.9393 120.2596 57.3111 40.4630 178.4371 16 F 4.0589 8.3301 121.0406 61.5668 39.4140 177.3062 17 I 3.7859 8.0151 119.3274 64.2766 36.8431 178.4958 18 L 3.9778 7.9753 119.9353 57.7497 41.4787 179.5601 19 V 3.5535 7.8592 118.2395 66.1632 31.3894 178.3066 20 R 3.9118 7.6348 117.2900 58.7553 30.1179 178.6234 21 A 3.9986 8.4897 121.2561 55.5749 18.3386 179.8883 22 T 3.9420 8.2540 108.0755 64.6648 68.9191 176.6191 23 A 3.9460 8.1446 123.7379 55.1485 18.3577 179.7407 24 I 3.7167 7.7730 118.1657 64.4981 37.2127 178.7625 25 V 3.7256 7.7185 118.6915 66.1942 31.3235 178.0987 26 L 4.2018 8.4387 118.9036 57.6630 41.4395 179.6380 27 T 3.9181 8.0871 116.0425 66.6838 68.3960 176.5571 28 L 4.1533 8.0179 120.8998 58.1885 41.6154 179.0870 29 Y 3.2714 8.0864 119.3966 60.3996 38.6189 178.0156 30 I 3.7167 8.0137 121.0394 64.0982 37.1877 178.4717 31 I 3.7771 7.9767 120.9208 64.3141 36.9575 177.6423 32 Y 4.1583 8.2010 120.4592 61.1205 38.6651 178.2441 33 M 3.8817 7.9820 119.4743 58.3941 32.0534 178.9592 34 V 3.8498 8.3685 118.9495 65.8322 31.4350 177.8633 35 G 3.7704 8.2584 104.9678 48.2947 0.0000 174.6493 36 F 3.8995 7.9417 123.3949 60.7842 38.9410 176.8330 37 F 3.6674 8.0009 116.6510 60.4874 38.9335 177.0895 38 A 4.5469 7.8109 117.7715 51.6283 19.7489 178.4396 39 T 4.4923 7.5555 108.7162 61.6245 69.0032 174.3672 40 S 4.2878 7.6517 110.4474 57.8810 65.3309 175.7239 41 G 3.5562 8.1789 108.5131 47.6192 0.0000 171.9901 42 E 3.6781 8.2084 117.4462 56.2174 29.6824 178.1051 43 L 4.4035 8.1565 125.2348 53.6386 40.6373 176.7415 44 T 4.1591 7.8164 116.6189 61.5462 69.7625 173.1956 45 Y 4.3310 8.8014 126.3161 60.9620 38.6980 178.3498 46 E 3.8423 8.4225 120.0057 59.5928 29.8641 179.3970 47 V 3.7602 7.8238 111.8740 63.7706 31.6170 178.1617 48 W 4.4389 8.3222 128.3800 60.8464 30.6493 177.9872 49 I 3.7610 7.9778 118.5060 63.6950 37.0877 178.0431 50 G 3.5882 7.9221 106.2788 47.3514 0.0000 175.3790 51 F 4.0735 8.0971 122.8471 61.1993 39.2495 177.1412 52 F 3.8585 7.3005 114.0590 58.9290 38.7682 176.7596 53 A 4.1683 7.5929 119.8539 52.7236 19.2309 177.7932 54 S 4.0674 7.1656 113.0275 57.8870 63.3096 174.7812 55 A 3.9450 8.7477 129.0170 55.2824 18.1396 179.7033 56 F 3.7073 8.1678 118.5287 61.8114 39.4031 177.4069 57 T 3.9022 7.6271 115.1598 66.3232 68.1387 176.8552 58 K 3.8442 7.9846 120.4309 59.5140 32.0730 179.4473 59 V 3.4444 7.7738 118.4123 65.9824 31.4382 177.8110 60 F 4.1720 7.9033 120.2760 61.6533 39.1802 177.2523 61 T 3.5217 8.2315 115.5516 66.5095 68.2056 176.7847 62 L 3.8109 7.9089 120.9618 57.4836 41.5249 179.3141 63 L 4.0614 8.2272 120.3985 58.0091 41.9480 178.7643 64 A 3.8511 8.3881 121.0812 55.1536 18.1750 179.6359 65 L 3.8867 7.7780 117.3574 57.9486 41.6552 179.7964 66 F 4.1712 8.3957 117.8361 60.6473 38.8325 177.8603 67 S 4.2499 8.4493 114.9069 61.7060 62.5891 176.8928 68 I 3.7823 8.1937 122.8546 64.1562 36.7246 177.9839 69 L 4.0350 8.0757 121.2195 58.4356 41.9793 179.2997 70 I 3.9128 7.9177 119.4191 64.6647 37.1510 177.9720 71 H 4.1327 8.9722 119.0985 59.4265 29.7543 177.2613 72 A 4.1818 8.6914 122.7460 54.3563 18.0699 179.5466 73 W 4.4930 8.0917 127.5631 60.8969 30.8027 178.2507 74 I 3.3194 7.6593 119.4144 64.1463 36.5105 178.6994 75 G 3.5594 8.1002 106.4720 48.2185 0.0000 175.7526 76 M 4.1670 8.4497 121.7476 57.5211 31.9501 178.6879 77 W 3.7200 7.9443 129.0159 60.2523 30.5544 177.9607 78 Q 3.6304 8.2930 118.1755 58.8555 28.1545 179.1406 79 V 3.4365 7.5870 119.0395 66.0016 31.5791 178.1222 80 L 3.9763 7.8894 119.0706 57.7313 41.2514 179.0259 81 T 3.7841 7.1301 107.3237 62.9982 68.8529 175.8991 82 D 4.2110 6.8186 120.3378 56.5556 41.4027 177.3018 83 Y 5.0119 7.2525 113.5944 56.8639 39.4598 175.9980 84 V 4.2513 7.5823 119.5818 60.8297 31.8763 175.2532 85 K 4.0149 8.5784 126.2239 58.5518 32.5710 176.7707 86 P 4.2065 0.0000 0.0000 62.5441 31.9271 176.2695 87 L 3.8862 8.7585 124.8725 58.4511 41.9429 178.7144 88 A 3.9981 7.9848 119.6984 55.1622 18.3836 179.1005 89 L 3.9204 7.9021 118.3141 58.2421 42.1013 179.0881 90 R 3.9075 7.9076 118.5561 59.4832 30.0405 178.4519 91 L 4.0786 8.3556 119.2347 58.0489 41.6088 179.4482 92 M 4.0677 8.1494 118.5788 58.5240 31.9725 178.8431 93 L 4.0848 8.1311 119.0551 57.8672 41.6915 179.6438 94 Q 4.3221 8.5387 118.3299 58.7723 28.6140 178.3726 95 L 3.8383 8.1500 121.5072 58.3239 42.0703 179.2025 96 V 3.5449 7.8247 117.9574 66.0573 31.3207 178.1223 97 I 3.7081 7.8981 119.4683 64.2711 36.9847 178.5124 98 V 3.2870 7.9343 119.4693 65.8319 31.2387 177.9880 99 V 3.4313 7.8005 117.8363 65.9910 31.2556 177.6445 100 A 3.7212 8.0116 120.4660 55.2099 18.3076 179.5677 101 L 3.5315 7.7256 117.4416 57.8720 41.6360 180.0512 102 V 3.5682 8.0445 118.5986 65.7713 31.3231 178.3175 103 V 3.6049 8.0101 118.6283 65.9915 31.3604 177.3267 104 Y 4.5086 8.2460 117.0832 61.3944 37.7898 179.1621 105 V 3.5151 7.7489 118.2522 66.1679 31.7837 178.1533 106 I 3.8501 7.9638 119.6320 64.5530 36.8475 177.8144 107 Y 4.3297 9.0239 121.3834 60.6365 38.6074 178.1821 108 G 3.5971 8.3777 106.6897 48.0571 0.0000 175.5795 109 F 3.9314 8.3004 120.0902 60.1635 38.6472 177.9228 110 V 3.6973 7.4629 116.9990 65.5833 31.2562 178.0955 111 V 3.5121 7.7229 118.4281 65.8672 31.4880 178.4828 112 V 3.7629 7.7635 114.5627 64.4757 31.4114 178.8563 *113 W 4.3866 7.7757 120.0298 59.7679 28.0409 179.0938 114 G 4.3150 7.1840 102.3980 45.1789 0.0000 173.9198 115 V 4.0225 7.5799 125.9057 62.7506 31.9346 175.0599 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 11 N 8.27 4.71 0.00 2.96 3.05 0.00 0.00 6.02 6.14 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 12 G 8.47 3.45 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 0.00 13 V 8.02 3.66 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 1.05 0.00 0.00 0.90 0.00 0.00 14 H 8.78 4.25 0.00 3.40 3.44 0.00 5.66 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 15 D 7.94 4.28 0.00 2.90 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 16 F 8.33 4.06 0.00 3.28 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 17 I 8.02 3.79 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 1.70 0.77 0.95 0.00 0.00 18 L 7.98 3.98 0.00 1.65 1.69 0.71 0.69 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 19 V 7.86 3.55 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 0.91 0.00 0.00 0.88 0.00 0.00 20 R 7.63 3.91 0.00 1.76 1.83 0.00 2.25 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 21 A 8.49 4.00 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 22 T 8.25 3.94 4.40 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 0.00 0.00 0.00 1.32 0.00 0.00 23 A 8.14 3.95 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 24 I 7.77 3.72 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.95 0.00 0.00 25 V 7.72 3.73 2.26 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 1.17 0.00 0.00 1.01 0.00 0.00 26 L 8.44 4.20 0.00 1.72 1.74 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.09 3.92 4.45 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 1.26 0.00 0.00 28 L 8.02 4.15 0.00 2.18 2.08 1.03 0.90 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 29 Y 8.09 3.27 0.00 2.62 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 30 I 8.01 3.72 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.57 0.94 0.00 0.00 31 I 7.98 3.78 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.99 0.00 0.00 32 Y 8.20 4.16 0.00 3.21 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 33 M 7.98 3.88 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.74 0.00 34 V 8.37 3.85 2.26 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 1.10 0.00 0.00 0.95 0.00 0.00 35 G 8.26 3.77 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 0.00 0.00 0.00 36 F 7.94 3.90 0.00 2.29 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.00 3.67 0.00 3.18 3.01 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 38 A 7.81 4.55 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 39 T 7.56 4.49 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 1.19 0.00 0.00 40 S 7.65 4.29 0.00 3.50 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 41 G 8.18 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.21 3.68 0.00 1.97 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 2.33 0.00 43 L 8.16 4.40 0.00 1.60 1.62 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.82 4.16 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 1.30 0.00 0.00 45 Y 8.80 4.33 0.00 3.15 3.08 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 46 E 8.42 3.84 0.00 2.18 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 2.34 2.39 0.00 47 V 7.82 3.76 2.20 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 0.87 0.00 0.00 1.14 0.00 0.00 48 W 8.32 4.44 0.00 3.57 3.30 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 49 I 7.98 3.76 1.33 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 1.38 1.11 0.72 0.00 0.00 50 G 7.92 3.59 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 0.00 0.00 0.00 51 F 8.10 4.07 0.00 2.59 2.48 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 52 F 7.30 3.86 0.00 2.72 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 53 A 7.59 4.17 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 54 S 7.17 4.07 0.00 3.73 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 3.95 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 56 F 8.17 3.71 0.00 3.14 3.02 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 57 T 7.63 3.90 3.92 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 0.00 0.00 0.28 0.00 0.00 58 K 7.98 3.84 0.00 1.88 1.77 0.00 1.62 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.61 7.81 59 V 7.77 3.44 1.78 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 0.86 0.00 0.00 0.88 0.00 0.00 60 F 7.90 4.17 0.00 2.83 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 61 T 8.23 3.52 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 L 7.91 3.81 0.00 1.52 1.48 0.30 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.23 4.06 0.00 1.80 1.97 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.39 3.85 0.51 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 65 L 7.78 3.89 0.00 1.73 1.59 0.88 0.93 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 66 F 8.40 4.17 0.00 3.25 3.08 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 67 S 8.45 4.25 0.00 4.08 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 68 I 8.19 3.78 2.09 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 1.46 0.72 1.08 0.00 0.00 69 L 8.08 4.04 0.00 1.80 1.98 0.90 0.90 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 70 I 7.92 3.91 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.05 0.98 0.00 0.00 71 H 8.97 4.13 0.00 3.30 3.42 0.00 5.78 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 72 A 8.69 4.18 1.53 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 0.00 0.00 73 W 8.09 4.49 0.00 3.43 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 74 I 7.66 3.32 1.91 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 1.28 0.48 0.84 0.00 0.00 75 G 8.10 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.45 4.17 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.94 0.00 77 W 7.94 3.72 0.00 1.91 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 78 Q 8.29 3.63 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.75 0.00 79 V 7.59 3.44 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 1.20 0.00 0.00 0.97 0.00 0.00 80 L 7.89 3.98 0.00 1.53 1.61 1.03 0.58 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 81 T 7.13 3.78 3.64 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 0.17 0.00 0.00 82 D 6.82 4.21 0.00 1.93 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 0.00 0.00 0.00 0.00 83 Y 7.25 5.01 0.00 2.95 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 84 V 7.58 4.25 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 0.81 0.00 0.00 0.97 0.00 0.00 85 K 8.58 4.01 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.21 0.00 2.16 2.02 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 87 L 8.76 3.89 0.00 1.76 1.71 0.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.98 4.00 1.34 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 89 L 7.90 3.92 0.00 1.78 1.85 0.94 0.87 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 90 R 7.91 3.91 0.00 1.95 2.08 0.00 3.10 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 91 L 8.36 4.08 0.00 1.74 1.76 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.15 4.07 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.91 0.00 93 L 8.13 4.08 0.00 1.90 1.78 0.95 0.86 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 94 Q 8.54 4.32 0.00 2.45 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.94 2.76 0.00 95 L 8.15 3.84 0.00 1.82 1.90 0.86 0.82 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 96 V 7.82 3.54 2.23 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 1.06 0.00 0.00 0.97 0.00 0.00 97 I 7.90 3.71 2.26 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 1.16 0.00 0.00 98 V 7.93 3.29 1.75 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 0.71 0.00 0.00 -0.21 0.00 0.00 99 V 7.80 3.43 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 0.91 0.00 0.00 100 A 8.01 3.72 1.10 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 0.00 101 L 7.73 3.53 0.00 1.73 1.71 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.04 3.57 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 0.95 0.00 0.00 0.87 0.00 0.00 103 V 8.01 3.60 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 1.02 0.00 0.00 0.96 0.00 0.00 104 Y 8.25 4.51 0.00 3.17 2.92 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 0.00 0.00 0.00 105 V 7.75 3.52 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 0.54 0.00 0.00 0.77 0.00 0.00 106 I 7.96 3.85 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.08 0.94 0.00 0.00 107 Y 9.02 4.33 0.00 3.10 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 0.00 108 G 8.38 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.30 3.93 0.00 3.34 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 0.00 110 V 7.46 3.70 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 0.75 0.00 0.00 1.04 0.00 0.00 111 V 7.72 3.51 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 0.77 0.00 0.00 0.29 0.00 0.00 112 V 7.76 3.76 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 0.79 0.00 0.00 0.85 0.00 0.00 *113 W 7.78 4.39 0.00 2.58 2.20 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 0.00 114 G 7.18 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 0.00 115 V 7.58 4.02 2.18 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 0.77 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.