NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6071 8.3649 120.5318 54.1798 42.2989 174.1488 3 I 4.2445 8.0615 121.8991 59.2622 38.6900 173.4703 4 R 4.4895 9.7970 128.5623 54.6683 32.7776 173.6962 5 Y 5.1979 8.4650 123.2313 56.2442 40.7643 174.9525 6 F 4.8093 9.5572 122.4440 55.8431 42.8035 175.6972 7 G 4.5001 8.9351 111.4149 46.9993 0.0000 173.7935 8 T 4.3866 8.1090 113.7162 62.7496 68.4018 175.0404 9 T 4.4691 8.7046 117.4630 58.7594 71.2338 173.3616 10 P 4.2085 0.0000 0.0000 64.4744 31.3544 177.3821 11 R 4.5179 7.5419 117.0484 57.0036 32.1590 174.5233 12 Y 4.8036 6.9920 113.8931 56.2051 41.0478 172.7422 13 S 5.1502 8.3666 116.0257 56.7525 65.2411 175.4764 14 E 4.1093 8.6211 122.8501 59.1302 30.4201 176.8788 15 A 5.0841 7.8462 119.4861 50.4800 23.3046 175.5349 16 V 4.8902 9.2706 121.2774 61.0653 35.1482 174.3926 17 G 4.7064 9.6171 114.9135 44.5088 0.0000 171.9186 18 A 4.7865 8.8839 125.1355 51.0125 22.8572 175.8889 19 N 3.9661 9.7664 120.7395 54.6550 37.4106 175.2667 20 G 4.1375 8.0360 107.7197 45.6808 0.0000 173.0447 21 L 4.5918 7.4579 118.7002 54.1668 43.6068 176.1548 22 I 4.9484 8.7750 122.4334 59.5546 40.8269 174.3477 23 F 4.9956 9.3893 126.1976 55.7352 41.0433 174.7530 24 L 4.8632 8.5477 124.5002 53.4181 42.7889 177.3190 25 S 4.1715 8.7197 119.3205 58.5056 63.5696 176.5159 26 G 4.5613 8.1551 108.3331 44.8245 0.0000 173.1201 *28 V 3.3840 8.0039 111.7636 60.0189 32.5167 173.6496 29 P 4.4109 0.0000 0.0000 62.8521 31.6558 176.3767 30 E 4.6753 9.5108 120.6297 56.3855 31.5643 175.8840 31 N 5.0224 8.0321 113.9898 51.9809 42.6968 174.7693 32 G 4.1340 9.0332 105.3440 46.1183 0.0000 172.9619 33 E 4.5271 8.6948 117.8180 57.1529 31.6883 177.6719 34 T 4.2864 7.8359 108.8992 60.4922 71.2814 175.1561 35 A 3.9712 8.5681 123.5059 55.3680 18.3839 179.8723 36 A 3.9308 8.8726 119.3683 55.5209 18.4478 179.7492 37 E 3.9393 8.1938 116.9637 59.6214 29.5372 179.7594 38 Q 4.0942 8.2783 118.0916 59.2165 28.7230 178.6942 39 T 3.7578 8.2224 116.9099 66.5741 68.4573 176.1136 40 A 3.9037 7.9529 122.4622 55.4618 18.3937 179.1667 41 D 4.2106 8.2364 116.4030 57.4459 41.2121 178.6602 42 V 3.5029 8.1913 119.0855 65.9858 31.5618 178.0804 43 L 3.4265 8.0073 118.8508 57.3856 41.2559 179.2474 44 A 4.0967 8.1026 120.9212 55.2664 18.2038 179.6897 45 Q 3.9672 8.2037 116.4642 59.1824 28.7449 179.1035 46 I 3.8295 7.8933 120.8361 64.5145 37.1591 177.9716 47 D 4.5415 8.7767 120.0510 57.7324 40.7341 179.4199 48 R 3.8493 7.9853 118.1394 59.1143 30.2094 179.2503 49 W 4.2467 8.4386 118.9949 59.6348 28.9339 178.5931 50 L 3.9979 8.4125 118.9924 57.7787 41.1982 179.3048 51 A 4.0910 8.0309 120.6366 55.4270 18.0800 179.5278 52 E 4.0294 8.0628 115.8120 59.1792 29.5116 178.3649 53 C 4.2907 7.5322 114.1335 58.5510 28.6469 173.5857 54 G 3.8144 8.1535 108.5385 46.7843 0.0000 173.4706 55 S 4.6274 8.1206 113.9611 56.8405 65.9232 171.1063 56 D 4.5910 7.9719 119.1440 52.1488 41.3599 176.1466 57 K 3.7327 8.4669 117.7650 59.4731 32.2442 177.4946 58 A 4.2332 7.5315 120.6196 52.7027 18.7451 176.9442 59 H 4.7999 8.4346 114.6268 55.3484 29.6979 173.3084 60 V 4.3401 7.7128 119.2521 61.9076 32.5733 175.3764 61 L 4.3574 8.7250 127.5398 57.2225 43.0550 176.5035 62 D 5.2689 7.8518 116.4610 52.8630 45.1695 174.0410 63 A 5.1134 9.1865 126.3320 50.3667 22.8708 174.7711 64 V 4.5173 8.8040 122.9753 61.0172 34.1536 174.2602 65 I 4.5800 8.4974 129.2061 59.7751 39.4949 174.0388 66 Y 5.0627 8.7113 125.5277 56.3759 40.0253 174.6910 67 L 5.1698 8.7803 124.3800 52.7954 44.2070 177.4008 68 R 4.1057 8.6923 124.5123 58.7035 30.6677 175.2452 69 D 4.6330 7.6420 116.5839 52.9196 43.9106 174.7568 *71 G 3.8483 8.6094 104.6431 45.7450 0.0000 173.2044 72 D 4.7502 8.2924 118.9741 54.3670 41.1023 177.5191 73 Y 4.0721 8.2195 121.1383 60.8860 39.1551 177.3674 74 A 3.9496 8.2116 121.9609 55.2775 18.6691 179.8356 75 E 3.7831 7.6490 113.6174 57.1378 29.2477 178.1454 *77 N 4.5910 8.3326 116.9304 52.7190 40.5183 176.8492 78 G 3.6753 8.0815 104.8746 47.8751 0.0000 175.9381 79 V 3.7070 7.4561 120.0113 65.3804 31.6748 177.7197 80 W 4.2979 8.2989 127.6539 60.8892 30.2908 177.3305 81 D 4.4636 8.8679 117.3877 57.4458 40.4022 178.3765 82 A 4.1746 7.6357 117.8506 53.5115 18.5545 178.7643 83 W 4.3098 7.4038 126.2696 58.7366 31.5930 177.2877 84 V 2.8157 6.7878 110.3198 61.0032 31.7710 175.7204 85 A 3.8302 7.7904 125.5637 51.2776 18.7171 177.1666 86 A 4.1532 8.3365 126.9983 53.5301 18.8210 178.0075 87 G 3.9901 8.9466 110.2901 45.8628 0.0000 173.4936 88 R 4.6575 7.6265 118.0459 55.4068 30.9328 175.7751 89 T 4.1672 7.7168 107.6520 60.5007 70.1737 172.9595 90 P 4.7487 0.0000 0.0000 61.8557 33.1645 175.4576 91 A 4.2499 8.7472 122.0343 52.4042 19.2691 176.7628 92 R 5.1256 8.4541 120.3294 54.6893 33.7628 174.0400 93 A 4.7114 8.7215 125.8018 50.3283 23.0158 174.4342 94 C 5.1018 8.5311 120.5716 57.7387 34.3146 173.4427 95 V 4.5349 8.6451 118.2221 59.6378 36.4198 173.7550 96 E 5.0093 8.6911 123.0370 55.0850 30.1280 175.1171 97 A 4.7621 9.0252 128.3176 50.4798 23.0882 175.6397 98 R 4.1065 8.7328 120.9994 56.3271 29.7264 176.1429 99 L 4.7094 8.3278 121.1997 52.5196 44.5743 177.3530 100 A 4.1626 8.8256 121.6828 54.3268 18.7949 177.9616 101 R 4.2838 6.5943 113.9120 53.1844 32.7144 175.2895 102 P 4.2732 0.0000 0.0000 65.7130 31.5154 177.5323 103 E 4.0968 7.8505 116.7955 57.7593 29.6642 176.6836 104 W 4.7969 7.8481 119.8589 56.6924 29.4352 176.1773 105 R 4.7215 9.7090 122.9698 56.6557 31.3313 176.5482 106 V 5.0280 7.5268 117.0161 60.4214 34.4725 173.3854 107 E 4.6983 9.2112 123.2094 54.6636 33.5153 173.8849 108 I 4.9883 8.3359 125.6065 59.3682 40.6364 174.4361 109 K 4.5518 9.1320 128.8917 54.8495 34.2426 174.6155 110 I 5.0237 8.4066 128.0883 59.8648 40.4082 174.5649 111 T 4.9109 8.8037 122.5678 61.7911 71.2600 173.3463 112 A 5.0633 8.9923 126.8780 50.5551 23.5078 174.6525 113 V 5.1706 8.3733 111.2315 58.2275 35.1442 176.7445 114 K 4.3084 8.5563 122.0576 56.1155 33.0075 177.5189 115 R 3.8650 8.5628 121.3962 56.6331 29.8831 176.7898 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 2 D 8.36 4.61 0.00 2.69 2.67 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 3 I 8.06 4.24 1.66 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 1.15 0.61 0.15 0.00 0.00 4 R 9.80 4.49 0.00 1.74 1.76 0.00 2.98 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.23 0.00 5 Y 8.47 5.20 0.00 2.79 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 6 F 9.56 4.81 0.00 2.85 3.25 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 7 G 8.94 4.50 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 0.00 8 T 8.11 4.39 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 1.08 0.00 0.00 9 T 8.70 4.47 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 0.78 0.00 0.00 10 P 0.00 4.21 0.00 2.04 2.13 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 11 R 7.54 4.52 0.00 1.81 2.00 0.00 3.54 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 12 Y 6.99 4.80 0.00 3.36 2.99 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 13 S 8.37 5.15 0.00 3.96 4.19 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 0.00 0.00 0.00 14 E 8.62 4.11 0.00 1.16 1.12 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 2.43 2.47 0.00 15 A 7.85 5.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.27 4.89 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 0.79 0.00 0.00 1.10 0.00 0.00 17 G 9.62 4.71 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 18 A 8.88 4.79 1.22 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 0.00 0.00 0.00 19 N 9.77 3.97 0.00 2.92 2.84 0.00 0.00 7.20 7.99 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 20 G 8.04 4.14 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 0.00 21 L 7.46 4.59 0.00 1.82 1.21 1.04 0.48 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 22 I 8.77 4.95 1.85 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 1.18 0.62 0.81 0.00 0.00 23 F 9.39 5.00 0.00 2.91 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 24 L 8.55 4.86 0.00 1.54 1.53 0.99 0.73 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 25 S 8.72 4.17 0.00 3.61 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 26 G 8.16 4.56 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 *28 V 8.00 3.38 0.67 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 0.18 0.00 0.00 0.34 0.00 0.00 29 P 0.00 4.41 0.00 1.97 1.91 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 30 E 9.51 4.68 0.00 1.99 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 2.29 2.38 0.00 31 N 8.03 5.02 0.00 2.78 2.67 0.00 0.00 7.15 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 32 G 9.03 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 0.00 0.00 0.00 0.00 33 E 8.69 4.53 0.00 2.10 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 0.00 2.26 2.30 0.00 34 T 7.84 4.29 4.44 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 1.23 0.00 0.00 35 A 8.57 3.97 1.36 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 36 A 8.87 3.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.19 3.94 0.00 2.05 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 2.34 2.36 0.00 38 Q 8.28 4.09 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 39 T 8.22 3.76 4.35 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 1.21 0.00 0.00 40 A 7.95 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.24 4.21 0.00 2.77 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 42 V 8.19 3.50 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 0.95 0.00 0.00 0.82 0.00 0.00 43 L 8.01 3.43 0.00 1.17 0.13 0.53 -0.26 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 44 A 8.10 4.10 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.20 3.97 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 46 I 7.89 3.83 1.99 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 1.57 0.74 1.11 0.00 0.00 47 D 8.78 4.54 0.00 2.93 2.82 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 48 R 7.99 3.85 0.00 1.90 1.72 0.00 3.01 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 49 W 8.44 4.25 0.00 3.41 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 50 L 8.41 4.00 0.00 1.93 1.63 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.03 4.09 1.36 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 52 E 8.06 4.03 0.00 2.15 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 2.17 2.47 0.00 53 C 7.53 4.29 0.00 2.91 2.67 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 54 G 8.15 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 55 S 8.12 4.63 0.00 3.71 3.80 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 56 D 7.97 4.59 0.00 2.83 2.69 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 57 K 8.47 3.73 0.00 0.79 1.60 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.44 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.01 0.83 7.81 58 A 7.53 4.23 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 59 H 8.43 4.80 0.00 3.26 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.71 4.34 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 1.01 0.00 0.00 1.08 0.00 0.00 61 L 8.72 4.36 0.00 1.62 1.67 0.87 0.55 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 62 D 7.85 5.27 0.00 2.76 2.44 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 63 A 9.19 5.11 1.41 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 0.00 0.00 0.00 64 V 8.80 4.52 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 0.40 0.00 0.00 0.86 0.00 0.00 65 I 8.50 4.58 1.60 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.18 0.78 0.00 0.00 66 Y 8.71 5.06 0.00 2.89 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 67 L 8.78 5.17 0.00 1.59 1.58 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.69 4.11 0.00 2.05 2.02 0.00 3.28 0.00 0.00 3.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.47 0.00 69 D 7.64 4.63 0.00 2.71 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 *71 G 8.61 3.85 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 0.00 0.00 0.00 72 D 8.29 4.75 0.00 2.89 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 73 Y 8.22 4.07 0.00 2.80 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 74 A 8.21 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 75 E 7.65 3.78 0.00 2.05 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 0.00 2.37 2.30 0.00 *77 N 8.33 4.59 0.00 2.72 2.76 0.00 0.00 6.89 7.95 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 78 G 8.08 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.46 3.71 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 1.00 0.00 0.00 0.99 0.00 0.00 80 W 8.30 4.30 0.00 3.48 3.22 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 0.00 81 D 8.87 4.46 0.00 2.76 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 82 A 7.64 4.17 1.40 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 0.00 0.00 0.00 83 W 7.40 4.31 0.00 3.16 3.19 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 0.00 0.00 0.00 84 V 6.79 2.82 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 -0.06 0.00 0.00 0.83 0.00 0.00 85 A 7.79 3.83 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 86 A 8.34 4.15 1.19 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 0.00 0.00 0.00 0.00 0.00 87 G 8.95 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 88 R 7.63 4.66 0.00 1.64 1.74 0.00 3.07 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 89 T 7.72 4.17 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 1.24 0.00 0.00 90 P 0.00 4.75 0.00 2.27 2.38 0.00 3.99 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 2.48 2.34 0.00 91 A 8.75 4.25 1.36 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 92 R 8.45 5.13 0.00 1.81 1.67 0.00 2.21 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.22 0.00 93 A 8.72 4.71 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 94 C 8.53 5.10 0.00 2.82 2.79 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 95 V 8.65 4.53 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 0.61 0.00 0.00 0.98 0.00 0.00 96 E 8.69 5.01 0.00 1.96 1.85 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 2.27 2.45 0.00 97 A 9.03 4.76 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 98 R 8.73 4.11 0.00 1.71 1.88 0.00 3.17 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 99 L 8.33 4.71 0.00 2.00 1.88 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.83 4.16 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 0.00 101 R 6.59 4.28 0.00 0.67 1.19 0.00 2.69 0.00 0.00 2.83 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.50 0.00 102 P 0.00 4.27 0.00 2.12 2.13 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 103 E 7.85 4.10 0.00 1.96 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 0.00 2.30 2.37 0.00 104 W 7.85 4.80 0.00 3.56 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 0.00 105 R 9.71 4.72 0.00 1.82 2.00 0.00 3.17 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 106 V 7.53 5.03 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 0.60 0.00 0.00 0.91 0.00 0.00 107 E 9.21 4.70 0.00 1.98 1.85 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 2.25 2.17 0.00 108 I 8.34 4.99 1.84 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 1.15 0.74 0.95 0.00 0.00 109 K 9.13 4.55 0.00 1.98 1.74 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 110 I 8.41 5.02 1.92 0.00 0.00 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 1.42 1.02 0.97 0.00 0.00 111 T 8.80 4.91 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 0.73 0.00 0.00 112 A 8.99 5.06 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.37 5.17 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 1.03 0.00 0.00 1.00 0.00 0.00 114 K 8.56 4.31 0.00 1.63 1.73 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.47 7.81 115 R 8.56 3.87 0.00 1.67 1.74 0.00 3.07 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.