NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 5.1741 8.3981 119.9478 57.1556 35.0778 174.0616 4 I 4.5954 7.8154 113.3681 58.4393 40.3548 172.3497 5 R 5.6872 9.1629 128.8906 54.2922 31.5779 175.9397 6 I 5.2092 8.2948 120.0923 58.0678 40.5405 174.7316 7 K 4.8166 8.5184 124.2228 54.7087 35.5120 175.0694 8 L 5.2674 8.6493 122.4271 53.0815 45.1394 175.9154 9 R 5.2044 8.2168 119.1148 53.2497 33.6795 175.7305 10 G 3.9211 7.5099 104.7913 46.4936 0.0000 172.5829 11 F 5.3760 7.5592 116.8955 56.9098 41.1565 175.6879 12 D 4.7885 7.9804 120.7156 52.9317 42.3952 176.3120 13 H 4.0651 8.5612 123.8410 58.7389 28.9949 177.5148 14 K 3.8935 7.6486 121.8897 58.9354 31.8685 178.9243 15 T 3.9614 7.9420 115.9152 66.5430 68.3062 176.5454 16 L 3.9961 7.4051 118.9608 58.2645 41.9320 179.3816 17 D 4.4731 8.1670 117.3983 56.3371 40.6217 178.4709 18 A 4.2295 7.3333 120.3875 54.6835 19.0950 179.2239 19 S 4.2428 8.6677 109.7537 59.3223 62.7987 175.0658 20 A 4.5315 7.7510 124.9597 53.9028 18.7643 178.9863 21 Q 4.0820 7.6601 116.6808 57.7252 28.5074 177.7562 22 K 4.1798 7.8769 120.0376 59.8348 32.4729 178.1947 23 I 3.9089 7.5219 118.0677 63.7229 37.1166 178.0017 24 V 3.7489 7.9761 119.5730 65.6771 31.1705 177.6839 25 E 4.0862 7.7181 116.5357 58.9342 29.3707 178.4856 26 A 4.7161 7.7673 117.9898 52.9497 18.7945 177.4965 27 A 4.5457 8.2347 121.1961 53.3556 21.5047 179.2376 28 R 3.9064 7.8373 114.1384 59.4557 30.1029 177.9807 29 R 4.5019 7.8570 111.2612 55.9096 29.7707 177.3914 30 S 4.5344 7.7689 108.9304 59.6831 64.6304 173.7090 31 G 4.8281 8.2835 108.5392 45.5800 0.0000 172.3099 32 A 4.1591 8.4088 122.3236 51.8442 18.6759 178.2433 33 Q 3.9367 8.5138 119.3967 57.1644 29.3673 172.9375 34 V 3.5067 7.4621 124.4563 62.4667 33.2376 172.0616 35 S 4.1184 10.6506 120.3319 58.0717 61.7246 174.8172 36 G 3.7647 7.8044 109.9912 44.3433 0.0000 170.8111 37 P 4.9637 0.0000 0.0000 61.2809 32.2773 174.8601 38 I 4.5038 8.8894 119.8686 58.3275 40.0250 173.2823 39 P 4.8534 0.0000 0.0000 61.7081 31.4393 175.6278 40 L 4.3169 8.4571 126.2547 53.4793 42.1976 175.7101 41 P 4.2287 0.0000 0.0000 63.6343 31.5075 176.0233 42 T 4.2851 8.2350 116.5090 63.7045 69.3772 174.6867 43 R 4.4508 8.5475 125.0311 54.2734 30.7829 174.0206 44 V 3.8886 8.0831 124.1031 62.3150 32.8558 174.6847 45 R 4.4317 8.2267 126.1124 54.7170 32.5690 174.2356 46 R 5.0900 8.3313 125.0131 54.7221 32.7283 175.8393 47 F 4.7887 9.8777 120.8042 56.2223 42.4184 174.3536 48 T 5.0949 8.3456 120.0428 62.0677 71.6166 174.2434 49 V 4.2252 7.7594 117.5856 60.8667 35.1220 172.3496 50 I 3.8918 8.7131 125.4690 61.8244 37.3805 175.7635 51 R 3.9539 8.3991 125.2875 59.3805 30.1794 177.8107 52 G 3.9033 7.7138 105.8316 44.5673 0.0000 171.8245 53 P 4.4349 0.0000 0.0000 64.2937 31.8466 176.5591 54 F 4.9274 7.9282 120.0956 57.1099 42.6579 175.6979 55 K 3.0785 8.8229 126.3127 57.4036 32.9277 174.6252 56 H 4.0297 8.4204 105.2333 56.6549 26.0090 176.0201 57 K 4.1616 8.2373 115.5885 57.9519 31.9344 175.8615 58 D 4.9617 8.2603 116.8297 54.5020 41.1713 176.3952 59 S 4.4312 7.7891 110.9741 58.0211 65.4114 174.6611 60 R 4.7319 8.0537 123.3255 56.0698 28.3688 173.5884 61 E 3.4389 7.7571 118.8370 56.3519 30.0885 172.8772 62 H 5.0662 8.4358 121.3097 54.2050 31.0273 174.0567 63 F 5.5976 9.2139 120.7021 55.8200 42.3872 174.0100 64 E 5.0358 9.0521 119.7134 54.6975 31.6101 175.5584 65 L 4.6019 8.6756 121.8250 53.1624 42.6436 174.0069 66 R 4.1991 8.1112 121.3589 55.9851 31.9643 175.4514 67 T 5.5746 8.1819 120.5202 61.5776 69.8437 173.8169 68 H 4.8922 8.7092 123.9115 55.6139 30.7691 174.3638 69 N 5.3133 8.6609 117.0315 51.6973 42.8811 173.4078 70 R 5.0209 8.9771 122.1243 54.2116 33.6460 174.2382 71 L 5.0259 9.4280 127.0034 53.2323 44.8742 175.2480 72 V 5.0146 8.2712 124.9685 60.6393 35.6191 173.4169 73 D 5.8500 8.4898 125.0554 51.6997 45.2954 174.3530 74 I 4.5021 8.3006 124.2184 58.5468 38.5112 176.7368 75 I 4.0734 8.0429 125.7052 59.1396 35.2349 176.0614 76 N 4.9360 7.4398 127.7487 53.2576 41.5178 175.7542 77 P 4.7221 0.0000 0.0000 62.6285 30.6617 176.0491 78 N 4.0377 9.1974 115.9900 55.0095 38.8084 176.2005 79 R 4.0333 8.5080 120.8882 57.1923 30.8793 177.3415 80 K 5.0563 7.7420 117.3820 57.9700 33.0127 178.0278 81 T 4.3686 7.8900 114.9005 66.0769 68.5175 176.5907 82 I 3.7250 7.2084 121.7827 63.9070 37.5080 177.3247 83 E 4.0615 7.7220 119.3910 58.3190 29.5929 178.9204 84 Q 4.0967 8.8297 120.0595 59.5935 30.8113 180.1133 85 L 4.1659 8.3505 115.2419 54.9657 39.9061 180.9257 86 M 2.9047 5.8600 122.1925 57.5840 35.1341 175.9417 87 T 4.6919 7.2196 115.1858 61.8405 69.4324 173.8360 88 L 4.7924 8.0968 117.9380 54.0151 44.4867 176.9247 89 D 4.5566 8.0354 118.2672 54.0389 39.5899 176.4489 90 L 4.6365 8.0763 116.7751 54.0968 45.9360 174.4325 91 P 4.5402 0.0000 0.0000 62.6642 32.3857 176.0968 92 T 4.1920 8.5884 117.4589 65.3200 69.7174 176.2460 93 G 4.1119 7.6469 108.9091 45.0420 0.0000 174.6035 94 V 4.6985 7.2468 118.0734 61.3134 34.1995 174.6171 95 E 4.4539 8.9110 129.4828 55.6696 31.3203 174.9914 96 I 4.9081 8.1199 123.3560 59.5977 41.2170 174.5580 97 E 4.9776 9.2263 124.7574 54.5827 32.9596 175.0371 98 I 4.9188 8.3534 114.0616 58.9168 41.2487 174.0053 99 K 4.2480 7.5565 126.2034 57.9893 36.7176 173.2878 100 T 5.2754 8.0370 115.2452 58.6411 72.6641 172.6608 *101 V 3.9936 8.2231 114.7698 62.6570 32.3498 172.7080 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 3 K 8.40 5.17 0.00 1.82 2.02 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.24 7.81 4 I 7.82 4.60 1.96 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 1.48 0.83 0.91 0.00 0.00 5 R 9.16 5.69 0.00 1.90 1.86 0.00 3.07 0.00 0.00 3.31 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 6 I 8.29 5.21 1.88 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 1.24 1.85 0.98 0.00 0.00 7 K 8.52 4.82 0.00 1.71 1.73 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 8 L 8.65 5.27 0.00 1.68 1.52 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.22 5.20 0.00 1.84 2.03 0.00 3.12 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 0.00 10 G 7.51 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 0.00 0.00 0.00 0.00 11 F 7.56 5.38 0.00 3.08 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 12 D 7.98 4.79 0.00 2.74 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 13 H 8.56 4.07 0.00 3.08 3.19 0.00 5.51 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.65 3.89 0.00 1.60 1.75 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.44 7.81 15 T 7.94 3.96 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 1.19 0.00 0.00 16 L 7.41 4.00 0.00 1.62 1.77 1.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.17 4.47 0.00 2.88 2.74 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 18 A 7.33 4.23 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 19 S 8.67 4.24 0.00 3.75 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 20 A 7.75 4.53 1.42 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 0.00 0.00 0.00 21 Q 7.66 4.08 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 22 K 7.88 4.18 0.00 1.97 1.76 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.51 7.81 23 I 7.52 3.91 1.87 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 1.52 0.75 0.91 0.00 0.00 24 V 7.98 3.75 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 1.03 0.00 0.00 1.02 0.00 0.00 25 E 7.72 4.09 0.00 1.99 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 2.58 2.46 0.00 26 A 7.77 4.72 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 27 A 8.23 4.55 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 28 R 7.84 3.91 0.00 1.95 2.01 0.00 3.39 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 29 R 7.86 4.50 0.00 1.91 2.00 0.00 3.06 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 30 S 7.77 4.53 0.00 4.16 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 31 G 8.28 4.83 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 0.00 0.00 0.00 32 A 8.41 4.16 1.27 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 0.00 0.00 33 Q 8.51 3.94 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 5.91 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 34 V 7.46 3.51 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 0.93 0.00 0.00 0.98 0.00 0.00 35 S 10.65 4.12 0.00 3.88 3.97 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 0.00 0.00 0.00 36 G 7.80 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 0.00 0.00 0.00 37 P 0.00 4.96 0.00 2.08 2.09 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 38 I 8.89 4.50 1.88 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 1.34 0.98 0.91 0.00 0.00 39 P 0.00 4.85 0.00 2.11 2.15 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 40 L 8.46 4.32 0.00 1.59 1.65 0.93 1.10 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 41 P 0.00 4.23 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 42 T 8.23 4.29 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 1.12 0.00 0.00 43 R 8.55 4.45 0.00 1.88 1.80 0.00 3.11 0.00 0.00 3.12 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 44 V 8.08 3.89 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 0.76 0.00 0.00 0.91 0.00 0.00 45 R 8.23 4.43 0.00 1.82 1.68 0.00 3.22 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.33 0.00 46 R 8.33 5.09 0.00 1.55 1.70 0.00 3.08 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 47 F 9.88 4.79 0.00 3.08 3.05 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 48 T 8.35 5.09 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 1.24 0.00 0.00 49 V 7.76 4.23 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 0.64 0.00 0.00 0.94 0.00 0.00 50 I 8.71 3.89 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 1.07 0.00 0.00 51 R 8.40 3.95 0.00 1.80 1.97 0.00 3.12 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 52 G 7.71 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 53 P 0.00 4.43 0.00 2.26 2.24 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 54 F 7.93 4.93 0.00 2.84 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 K 8.82 3.08 0.00 1.63 0.87 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.06 0.91 7.81 56 H 8.42 4.03 0.00 3.36 3.37 0.00 5.63 0.00 0.00 0.00 0.00 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.24 4.16 0.00 1.62 1.77 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.50 7.81 58 D 8.26 4.96 0.00 2.64 2.58 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 59 S 7.79 4.43 0.00 3.90 3.84 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 60 R 8.05 4.73 0.00 1.89 2.01 0.00 3.67 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 61 E 7.76 3.44 0.00 1.90 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 1.68 2.18 0.00 62 H 8.44 5.07 0.00 3.04 3.16 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 9.21 5.60 0.00 3.31 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 64 E 9.05 5.04 0.00 1.93 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 2.24 2.33 0.00 65 L 8.68 4.60 0.00 1.79 1.58 -0.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.11 4.20 0.00 1.77 1.75 0.00 3.44 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 67 T 8.18 5.57 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 1.29 0.00 0.00 68 H 8.71 4.89 0.00 3.15 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.66 5.31 0.00 2.81 2.67 0.00 0.00 6.70 7.66 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 70 R 8.98 5.02 0.00 1.70 1.80 0.00 3.25 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 71 L 9.43 5.03 0.00 1.60 1.58 0.92 -0.45 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 72 V 8.27 5.01 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 1.09 0.00 0.00 0.93 0.00 0.00 73 D 8.49 5.85 0.00 2.57 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 74 I 8.30 4.50 1.87 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 1.40 0.76 0.91 0.00 0.00 75 I 8.04 4.07 1.87 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 0.52 0.91 0.00 0.00 76 N 7.44 4.94 0.00 2.87 2.93 0.00 0.00 6.74 8.03 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 77 P 0.00 4.72 0.00 2.17 2.14 0.00 3.80 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 1.98 1.98 0.00 78 N 9.20 4.04 0.00 2.78 2.81 0.00 0.00 7.05 7.54 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 79 R 8.51 4.03 0.00 1.79 1.97 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 80 K 7.74 5.06 0.00 1.69 1.88 0.00 1.48 0.00 0.00 2.52 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.54 7.81 81 T 7.89 4.37 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 1.26 0.00 0.00 82 I 7.21 3.72 1.87 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 1.29 1.03 0.91 0.00 0.00 83 E 7.72 4.06 0.00 2.27 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 0.00 2.33 2.34 0.00 84 Q 8.83 4.10 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 85 L 8.35 4.17 0.00 1.70 1.11 0.95 0.95 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 86 M 5.86 2.90 0.00 1.89 2.27 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 2.53 2.53 0.00 87 T 7.22 4.69 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 1.21 0.00 0.00 88 L 8.10 4.79 0.00 1.75 1.58 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.04 4.56 0.00 2.77 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 90 L 8.08 4.64 0.00 1.59 1.66 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.54 0.00 2.15 2.03 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 92 T 8.59 4.19 4.23 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 1.20 0.00 0.00 93 G 7.65 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 0.00 0.00 0.00 94 V 7.25 4.70 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 0.75 0.00 0.00 0.90 0.00 0.00 95 E 8.91 4.45 0.00 2.02 1.72 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 2.24 2.24 0.00 96 I 8.12 4.91 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 1.33 0.76 0.94 0.00 0.00 97 E 9.23 4.98 0.00 2.02 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 0.00 2.20 2.35 0.00 98 I 8.35 4.92 1.87 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 1.22 0.65 0.91 0.00 0.00 99 K 7.56 4.25 0.00 1.91 1.73 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 1.30 7.81 100 T 8.04 5.28 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 1.21 0.00 0.00 *101 V 8.22 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.