NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1209 8.2649 123.5814 51.8546 19.8482 176.1755 *2 I 4.0014 8.2076 123.1326 61.1853 38.1627 175.8397 3 V 3.6459 8.9979 126.6143 64.8672 31.7857 175.7822 4 G 4.3057 7.2549 105.2274 46.0018 0.0000 171.9625 5 I 5.2632 7.6054 112.3894 59.2455 41.5703 174.3662 6 G 4.3769 8.9247 109.1570 45.0753 0.0000 171.6024 7 I 5.3210 8.2213 121.6573 59.3565 41.9082 173.6570 8 D 4.8679 8.9649 125.3546 52.9083 45.1321 173.5881 9 I 5.1369 8.4362 124.3151 59.3124 40.9599 174.3369 10 I 4.6549 8.8642 129.4883 59.2396 41.2009 174.4797 11 E 4.0096 8.7429 127.5358 55.4559 30.0369 177.0500 12 L 3.9041 8.3372 127.7129 58.1332 41.6863 179.3902 13 N 4.3415 7.9026 115.5793 55.9177 38.1630 177.3052 14 R 3.7865 7.5096 119.7414 59.2491 30.2311 178.3150 15 I 3.6491 7.3100 118.0688 64.2799 37.3190 177.2437 16 E 4.0873 8.1704 119.2574 59.2689 29.6153 179.6913 17 K 4.1088 7.8204 117.1508 56.6150 32.0230 178.6983 *19 L 4.3743 7.9245 119.6418 54.5673 43.8299 176.9478 20 D 4.5033 7.6612 119.7541 53.5059 40.5154 177.9432 *24 K 4.0191 7.7290 119.4758 56.1001 32.5738 175.3757 25 F 4.3227 8.6682 126.9600 59.0204 38.8095 176.5335 *27 E 4.2874 8.1446 119.9459 55.7410 31.1504 177.3631 28 R 4.1106 7.7188 116.7402 57.8921 30.6832 177.5514 29 I 3.3408 7.2149 116.9386 62.2113 38.0577 175.8703 30 L 4.6435 7.2660 118.7800 53.4253 42.9451 177.2059 31 T 4.2495 9.2951 114.5723 60.6184 71.2062 175.3908 32 E 3.8904 8.6558 120.6085 59.7591 29.3006 178.3096 33 N 4.3453 8.1362 115.6188 56.5641 38.6025 177.1344 34 E 4.1499 7.9147 118.6045 59.5001 29.5057 179.6938 35 R 4.0017 8.3821 118.5123 59.2722 29.8935 178.8238 36 N 4.3698 8.1340 115.5021 55.9219 38.7018 177.3854 37 V 3.6596 7.5650 119.7905 65.7810 31.6195 177.9547 38 A 3.6940 8.2064 120.8288 54.9369 17.9308 179.6425 39 K 3.9827 8.0670 116.4955 59.0246 32.1291 178.6035 40 G 3.8885 7.5335 103.0680 43.8078 0.0000 173.2587 41 L 4.7114 7.1819 121.0591 52.8646 44.3433 175.4471 42 K 4.6037 8.0376 118.2320 55.7827 36.7095 177.5201 43 G 3.7862 8.4946 108.3039 46.4185 0.0000 176.4844 44 S 4.1242 8.6809 116.3610 61.4745 62.6337 176.1169 45 R 3.9026 7.8896 120.9995 59.2489 29.9189 178.2081 46 L 4.0121 7.7546 119.8446 58.3836 42.1060 178.9939 47 T 3.9285 8.0478 115.9592 66.7291 68.3857 176.4973 48 E 3.9835 8.6685 119.8662 59.1152 29.5614 179.0025 49 F 4.0981 8.3542 121.8262 61.1512 39.5044 177.3560 50 V 3.5532 8.2069 117.7581 65.9014 31.3389 177.8530 51 A 4.1420 8.3136 120.7627 55.0070 18.1480 179.7729 52 G 3.6068 8.4511 104.6328 48.1316 0.0000 176.0612 53 R 3.8165 7.7386 120.9441 58.6670 29.9324 178.7383 54 F 3.9558 8.3830 120.1506 61.4871 39.3403 176.9373 55 A 4.8075 8.7841 121.3733 54.6890 18.1323 179.5065 56 A 3.9904 8.3900 119.3344 55.3253 18.5280 180.0979 57 K 3.9795 8.3077 117.1166 59.4928 32.1438 179.3073 58 E 3.9895 8.9577 121.0078 58.6756 29.6560 178.5376 59 A 4.0383 8.3748 121.1166 55.5335 18.4335 178.9728 60 Y 4.0066 8.3117 118.2234 60.8387 38.5074 178.4589 61 S 4.0822 8.2843 115.0620 61.0381 63.1646 176.5821 62 K 3.9646 8.0285 122.2082 58.9926 31.7259 179.0432 63 A 4.2513 7.7650 122.4848 54.6688 18.0378 179.9871 64 V 3.5418 7.2000 109.8646 62.6130 31.6966 177.5741 65 G 3.9870 7.8697 106.1392 45.1821 0.0000 173.8040 66 T 4.1785 7.5280 108.4068 60.2941 70.5412 175.5601 67 G 3.8712 8.1958 110.2556 44.1689 0.0000 172.9522 68 I 3.7654 8.1333 119.7658 61.5626 36.3184 176.3189 69 G 4.0033 8.5723 114.7249 45.9004 0.0000 174.2112 70 K 4.2359 8.9105 118.7231 59.4111 32.5569 178.4005 71 E 4.1199 8.2058 117.6099 58.4715 29.9837 177.2008 72 V 4.5000 7.3340 117.2669 61.0080 34.5297 174.0981 73 S 4.6929 9.1154 120.3824 55.7966 66.2008 174.3043 74 F 4.1246 8.3746 120.0438 60.8689 38.3916 177.6264 75 L 4.3645 7.8821 115.9380 55.7313 41.5986 177.2099 76 D 4.5899 7.9572 118.4600 55.0149 41.3591 176.2764 77 I 4.6977 7.3080 119.3414 59.1901 40.1328 174.7300 78 E 4.7265 8.9390 126.2841 54.4128 32.7163 174.2820 79 V 4.6763 9.5699 128.1091 61.4715 32.3644 174.8096 80 R 4.7998 9.2933 128.5222 54.6131 33.3955 173.7178 81 N 5.2817 8.6586 121.6216 51.7283 40.7514 175.2309 82 D 4.7326 8.8081 123.7317 52.3248 41.4431 176.4174 83 D 4.3776 8.6332 117.4792 56.4209 39.2611 177.3318 84 R 4.1511 8.5040 117.6300 56.4929 30.4704 177.2712 85 G 3.9959 8.2030 106.3262 44.4159 0.0000 173.5412 86 K 4.2665 8.0961 122.6748 55.3659 33.3444 174.0671 87 P 4.8922 0.0000 0.0000 62.8355 32.3232 175.2737 88 I 4.4229 9.6861 125.3315 58.9473 40.6190 173.6018 89 L 4.7988 8.5733 131.7773 53.9378 43.1706 175.4267 90 I 4.3572 8.7936 128.6893 60.1802 38.7760 174.8345 91 T 4.9783 8.0400 120.5910 60.6198 70.8354 172.9637 92 S 4.3913 8.4572 119.7236 58.0550 63.4929 173.4296 93 T 4.3839 7.8295 117.3440 61.2289 69.6513 172.8881 94 E 4.1178 8.5843 125.0490 58.2629 29.9919 176.6776 95 H 4.9921 7.4979 115.5353 54.7461 30.8815 174.5986 96 I 4.2512 8.7717 121.2836 60.4099 38.6158 175.1994 97 V 4.6059 8.3486 126.9402 61.5929 33.1673 174.2138 98 H 5.0449 8.9723 125.3274 54.0434 30.9510 173.4878 99 L 5.4345 8.4958 123.8600 53.6295 45.6604 175.1823 100 S 4.7914 8.7656 117.1573 57.0764 66.2234 172.7514 101 I 5.2848 8.2344 124.8251 59.9372 41.1649 174.5511 102 S 4.7237 8.9931 118.4370 57.3205 66.3207 172.6308 103 H 5.4729 8.4186 121.1396 54.5762 31.0384 173.2651 104 S 4.7716 8.7934 119.9061 56.8818 65.5051 173.3088 105 K 4.0917 8.8058 119.8333 59.3298 32.1853 178.1432 106 E 4.4507 8.2146 115.1345 55.8601 31.1673 174.9206 107 F 5.3803 8.1172 117.1852 55.6731 43.9488 173.3871 108 A 5.3866 9.0386 122.2130 50.4963 22.3664 175.6656 109 V 5.1026 9.1046 112.9639 59.8926 36.6698 174.4563 110 A 5.3096 8.8683 124.0687 50.5668 23.1744 175.1306 111 Q 5.1235 9.0688 117.4233 54.5681 32.7123 174.2117 112 V 4.9837 8.9876 120.4525 61.2703 35.6860 174.1154 113 V 4.7411 8.7450 126.7453 61.1618 34.3768 173.9599 114 L 5.0661 9.0058 129.1367 53.5874 43.3501 175.1821 115 E 4.9293 9.1180 125.6433 54.0252 32.1764 175.4044 116 S 4.6524 8.7838 122.7467 58.7592 63.8830 174.5263 117 S 4.3856 8.5940 116.6762 58.4880 63.1015 173.9563 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 0 A 8.26 4.12 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 *2 I 8.21 4.00 1.85 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 0.85 0.97 0.00 0.00 3 V 9.00 3.65 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 0.59 0.00 0.00 0.71 0.00 0.00 4 G 7.25 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 5 I 7.61 5.26 1.93 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 1.26 1.02 0.90 0.00 0.00 6 G 8.92 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 5.32 1.88 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 1.25 1.19 0.92 0.00 0.00 8 D 8.96 4.87 0.00 2.90 2.61 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 0.00 0.00 0.00 9 I 8.44 5.14 1.89 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.33 0.94 0.00 0.00 10 I 8.86 4.65 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.99 0.73 0.00 0.00 11 E 8.74 4.01 0.00 1.97 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 2.09 1.86 0.00 12 L 8.34 3.90 0.00 1.57 1.62 0.94 0.36 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 13 N 7.90 4.34 0.00 2.68 2.78 0.00 0.00 6.78 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 14 R 7.51 3.79 0.00 1.72 2.03 0.00 3.18 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 15 I 7.31 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 1.01 0.00 0.00 16 E 8.17 4.09 0.00 1.87 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 0.00 2.28 2.34 0.00 17 K 7.82 4.11 0.00 1.90 1.70 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.58 7.81 *19 L 7.92 4.37 0.00 1.86 1.82 1.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.66 4.50 0.00 2.73 2.64 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 0.00 *24 K 7.73 4.02 0.00 1.76 1.83 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.55 7.81 25 F 8.67 4.32 0.00 3.07 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 *27 E 8.14 4.29 0.00 2.19 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 2.20 2.34 0.00 28 R 7.72 4.11 0.00 1.81 1.86 0.00 3.19 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 29 I 7.21 3.34 1.31 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.33 0.32 0.00 0.00 30 L 7.27 4.64 0.00 1.59 1.59 1.05 0.84 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 31 T 9.30 4.25 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 1.28 0.00 0.00 32 E 8.66 3.89 0.00 2.09 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 2.38 2.48 0.00 33 N 8.14 4.35 0.00 2.94 2.87 0.00 0.00 7.06 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 34 E 7.91 4.15 0.00 2.33 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 2.39 2.38 0.00 35 R 8.38 4.00 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 36 N 8.13 4.37 0.00 2.86 2.87 0.00 0.00 7.00 7.02 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 37 V 7.57 3.66 2.25 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 0.70 0.00 0.00 0.98 0.00 0.00 38 A 8.21 3.69 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.98 0.00 1.71 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.70 7.81 40 G 7.53 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 41 L 7.18 4.71 0.00 1.58 1.48 0.20 0.56 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 42 K 8.04 4.60 0.00 1.86 1.84 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.42 7.81 43 G 8.49 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 0.00 0.00 0.00 44 S 8.68 4.12 0.00 3.87 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 45 R 7.89 3.90 0.00 1.92 2.08 0.00 3.32 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 46 L 7.75 4.01 0.00 1.80 1.84 1.03 0.66 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 47 T 8.05 3.93 4.37 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 1.22 0.00 0.00 48 E 8.67 3.98 0.00 1.92 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 0.00 2.47 2.18 0.00 49 F 8.35 4.10 0.00 3.29 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 50 V 8.21 3.55 2.33 0.00 0.00 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 1.17 0.00 0.00 51 A 8.31 4.14 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 52 G 8.45 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.74 3.82 0.00 1.90 1.85 0.00 2.88 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.59 0.00 54 F 8.38 3.96 0.00 3.32 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 55 A 8.78 4.81 1.51 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 56 A 8.39 3.99 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 57 K 8.31 3.98 0.00 2.11 1.90 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 58 E 8.96 3.99 0.00 2.27 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 2.41 2.27 0.00 59 A 8.37 4.04 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.31 4.01 0.00 3.12 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 61 S 8.28 4.08 0.00 4.11 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 62 K 8.03 3.96 0.00 2.00 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.65 7.81 63 A 7.76 4.25 1.23 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 0.00 0.00 64 V 7.20 3.54 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 0.21 0.00 0.00 0.80 0.00 0.00 65 G 7.87 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 66 T 7.53 4.18 4.33 0.00 0.00 0.00 0.00 0.00 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 67 G 8.20 3.87 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 0.00 0.00 0.00 68 I 8.13 3.77 1.66 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.07 0.41 0.00 0.00 69 G 8.57 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 70 K 8.91 4.24 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 71 E 8.21 4.12 0.00 1.92 1.99 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 2.30 2.34 0.00 72 V 7.33 4.50 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 0.99 0.00 0.00 0.96 0.00 0.00 73 S 9.12 4.69 0.00 3.72 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 74 F 8.37 4.12 0.00 3.09 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 75 L 7.88 4.36 0.00 1.64 1.70 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.96 4.59 0.00 2.73 2.68 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 77 I 7.31 4.70 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.62 0.71 0.00 0.00 78 E 8.94 4.73 0.00 1.97 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 2.17 2.21 0.00 79 V 9.57 4.68 1.99 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 0.74 0.00 0.00 0.88 0.00 0.00 80 R 9.29 4.80 0.00 1.85 1.72 0.00 3.13 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 81 N 8.66 5.28 0.00 2.67 2.76 0.00 0.00 7.00 8.06 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 82 D 8.81 4.73 0.00 2.88 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 83 D 8.63 4.38 0.00 2.81 2.86 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 0.00 0.00 0.00 84 R 8.50 4.15 0.00 1.96 2.03 0.00 3.29 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 85 G 8.20 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 86 K 8.10 4.27 0.00 1.84 1.91 0.00 1.76 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.40 7.81 87 P 0.00 4.89 0.00 2.12 2.06 0.00 3.78 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 2.00 1.98 0.00 88 I 9.69 4.42 1.87 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 1.11 1.32 0.96 0.00 0.00 89 L 8.57 4.80 0.00 1.65 1.50 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.79 4.36 1.82 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 1.19 0.75 0.87 0.00 0.00 91 T 8.04 4.98 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 0.86 0.00 0.00 92 S 8.46 4.39 0.00 4.00 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 93 T 7.83 4.38 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 1.35 0.00 0.00 94 E 8.58 4.12 0.00 1.80 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 2.27 2.27 0.00 95 H 7.50 4.99 0.00 3.13 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.77 4.25 1.86 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 1.12 0.66 0.77 0.00 0.00 97 V 8.35 4.61 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 0.91 0.00 0.00 1.07 0.00 0.00 98 H 8.97 5.04 0.00 3.24 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.50 5.43 0.00 1.61 1.50 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.77 4.79 0.00 3.94 3.63 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 0.00 101 I 8.23 5.28 1.87 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 1.25 0.80 0.96 0.00 0.00 102 S 8.99 4.72 0.00 3.84 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 0.00 103 H 8.42 5.47 0.00 3.12 3.28 0.00 5.76 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 0.00 104 S 8.79 4.77 0.00 4.06 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 0.00 105 K 8.81 4.09 0.00 1.76 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.46 7.81 106 E 8.21 4.45 0.00 1.96 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 2.27 2.19 0.00 107 F 8.12 5.38 0.00 2.89 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 0.00 108 A 9.04 5.39 1.28 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 0.00 109 V 9.10 5.10 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 0.73 0.00 0.00 1.02 0.00 0.00 110 A 8.87 5.31 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 0.00 111 Q 9.07 5.12 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 112 V 8.99 4.98 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 1.04 0.00 0.00 1.08 0.00 0.00 113 V 8.75 4.74 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 0.95 0.00 0.00 0.94 0.00 0.00 114 L 9.01 5.07 0.00 1.65 1.52 0.71 0.63 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 0.00 115 E 9.12 4.93 0.00 2.07 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 2.23 2.28 0.00 116 S 8.78 4.65 0.00 3.80 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 0.00 117 S 8.59 4.39 0.00 3.98 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 * Residues marked with a * may have inaccurate shift predictions.