NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 Q 4.3721 8.2033 118.9604 56.4861 31.3323 173.0236 -1 T 5.3565 7.9014 115.0151 60.5535 71.5752 168.9619 -1 V 5.1265 7.7814 120.6151 60.9535 34.6752 170.5619 2 A 4.9957 9.1761 126.3111 50.2952 22.0346 175.7747 3 I 4.6249 8.3323 121.1277 59.3465 41.0145 175.1132 4 K 4.6929 9.1977 127.1369 56.3942 33.7512 176.1277 5 M 4.5459 9.3222 125.1437 56.9227 33.2940 176.1015 6 G 4.1972 8.8481 112.0566 46.9639 0.0000 172.4935 7 A 4.4459 8.5760 127.8097 51.5881 19.2743 178.0515 8 D 4.3996 8.8571 120.5811 57.3691 40.9490 177.7743 9 N 4.5606 8.0794 113.6752 53.0774 37.2147 175.8636 10 G 3.9401 8.1162 107.4823 45.7548 0.0000 174.1130 11 M 4.2428 8.0672 119.7157 54.6041 32.7315 176.1494 12 L 4.4145 8.1401 121.7334 54.2558 40.6567 175.8743 13 A 4.4533 7.5507 123.4212 50.8281 22.7372 174.7120 14 F 5.0353 8.5830 117.8220 56.6435 40.9547 175.6111 15 E 4.7994 9.1987 122.5833 53.9599 32.4249 172.9024 16 P 4.9374 0.0000 0.0000 62.5759 32.2466 176.8224 17 S 4.5916 8.8774 116.0097 60.9437 64.4633 173.7259 18 T 5.2165 7.8297 116.2421 61.7736 71.7578 173.1829 19 I 4.7305 8.6730 125.0445 59.2816 42.1363 173.3692 20 E 5.2315 8.7624 125.9643 54.6273 32.3979 175.0533 21 I 4.6984 8.9442 116.3948 59.6438 42.0833 173.5833 22 Q 5.0570 9.2078 120.3011 53.7125 31.2033 175.8577 23 A 4.2966 8.4049 125.2169 54.4062 18.7128 178.4057 24 G 4.0248 9.3410 111.9596 45.0324 0.0000 173.6479 25 D 4.7825 8.1028 119.6597 54.4278 42.3932 175.3360 26 T 5.0142 8.4986 117.6155 61.9445 70.9614 174.0807 27 V 4.4436 8.7005 125.8191 61.1030 33.9954 173.9484 28 Q 4.9267 8.1210 128.2921 54.1345 31.4662 173.8104 29 W 4.9509 8.9150 127.0087 55.3200 31.3943 175.4121 30 V 4.6707 8.6248 124.1482 60.6649 33.9967 174.0183 31 N 4.5016 9.2200 127.8398 54.3923 39.2404 172.7700 32 N 4.8767 9.3752 124.0915 54.3495 40.6990 174.3504 33 K 4.6593 7.2815 116.0501 55.6026 36.4803 175.9107 34 L 3.9213 8.6570 117.4795 55.7715 38.7964 175.0737 35 A 4.0330 8.0046 118.7852 51.4225 19.2016 176.3685 36 P 4.9459 0.0000 0.0000 61.8878 33.1158 174.7370 37 H 5.1668 8.2391 116.0902 54.6351 33.8365 171.9814 38 N 5.1574 8.5045 116.1213 51.9303 41.6138 172.7568 39 V 4.5595 8.3008 118.0523 61.5054 34.8824 174.3320 40 V 4.2917 8.5168 128.8014 59.7481 33.4932 175.0105 41 V 4.5165 8.2689 126.9450 61.3002 31.8712 175.4252 42 E 3.8645 8.8285 128.2069 57.4356 29.7029 178.2686 *49 G 3.7915 8.8679 111.9466 45.6512 0.0000 171.9796 *52 Q 4.8562 7.4101 117.9448 55.1444 29.4361 173.6488 53 P 4.2323 0.0000 0.0000 65.2049 31.9193 178.7198 54 E 4.0213 8.1245 114.3659 58.2041 29.5639 177.2014 55 L 4.3471 7.5486 117.8132 54.4617 42.3635 176.5286 56 S 4.4767 7.3238 114.9245 57.8036 64.1657 173.9681 57 H 4.4053 8.6240 121.8052 54.0619 29.6716 173.9364 58 K 3.9741 8.0296 124.3395 58.2499 32.2392 177.9142 59 D 4.2627 7.4887 119.1991 54.1536 41.3392 175.2988 *62 L 4.1231 8.4224 121.3052 54.6173 43.1316 175.9867 63 A 4.8750 8.6553 125.3998 50.8279 20.3425 177.6121 64 F 4.3343 9.1004 121.6549 58.6654 40.6458 176.7417 65 S 4.7685 7.9875 116.3531 56.2291 64.0546 171.9830 66 P 4.5460 0.0000 0.0000 64.2267 31.5013 177.0469 67 G 3.9822 9.0271 112.1141 44.8827 0.0000 173.4119 68 E 4.2725 7.9792 121.9377 56.6015 30.5200 175.8266 69 T 5.5947 8.6728 115.6865 59.1498 72.3799 172.5739 70 F 5.1313 7.7167 115.1384 56.1568 41.2074 172.4979 71 E 5.6154 8.9930 118.0846 55.1281 33.9900 174.5761 72 A 4.7490 8.9685 121.1402 51.0316 23.1444 175.2475 73 T 4.8385 8.3373 117.5241 61.8847 70.9253 174.0958 74 F 4.3508 9.0034 126.3661 56.2048 39.5107 176.6826 75 S 4.7728 8.7477 118.7380 58.4958 63.9980 173.9824 76 E 4.7261 7.9565 120.7883 53.6561 31.1000 174.0973 77 P 4.5586 0.0000 0.0000 62.4251 32.1503 175.9084 78 G 4.2047 7.4515 107.7892 44.2580 0.0000 171.5564 79 T 4.9753 7.5299 116.6324 61.8254 70.5525 174.0188 80 Y 4.7887 9.4205 123.8111 56.5314 41.3742 174.7382 81 T 5.2784 8.7307 120.3080 62.3699 71.2088 173.1831 82 Y 5.5172 8.8031 122.6601 55.9925 42.2160 173.1818 83 Y 5.4097 8.5433 117.3693 56.1570 42.1409 172.9984 84 C 5.3457 9.0307 120.6247 57.4664 32.7512 173.8398 85 E 4.2650 10.0255 127.7009 59.1936 29.3139 177.9823 86 P 4.2707 0.0000 0.0000 65.2783 31.6568 176.5895 87 H 4.9366 7.7549 113.7417 55.3949 29.3410 176.0935 88 R 3.9620 8.0612 123.4307 59.3173 30.0111 179.1852 89 G 3.5602 8.0738 105.4968 48.0458 0.0000 173.7457 90 A 4.2484 7.9052 120.3679 52.1513 18.8858 177.6204 91 G 3.8764 8.1077 104.4879 45.9722 0.0000 174.8569 92 M 4.3540 7.8336 122.0173 54.1625 30.9054 174.4333 93 V 5.0261 8.0283 121.1951 60.6067 35.5182 173.7683 94 G 3.8735 8.6402 113.0017 44.1786 0.0000 170.7791 95 K 5.2765 8.9487 119.5566 54.6582 36.0721 174.8900 96 I 4.9152 9.2343 127.6060 59.5046 40.4896 174.3868 97 V 4.6498 8.7551 127.5436 61.1997 33.7105 174.3420 98 V 4.6743 8.8919 128.9577 61.4333 33.4098 175.5729 99 Q 4.3162 9.2631 126.8399 56.1001 28.8816 175.9083 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 Q 8.20 4.37 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 -1 T 7.90 5.36 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 1.14 0.00 0.00 -1 V 7.78 5.13 2.04 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 0.90 0.00 0.00 0.86 0.00 0.00 2 A 9.18 5.00 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 0.00 0.00 0.00 0.00 0.00 3 I 8.33 4.62 1.39 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 1.24 0.00 0.00 4 K 9.20 4.69 0.00 1.85 1.89 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 5 M 9.32 4.55 0.00 1.81 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 3.07 0.00 6 G 8.85 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 0.00 0.00 0.00 0.00 7 A 8.58 4.45 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 8 D 8.86 4.40 0.00 2.69 2.75 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 0.00 0.00 0.00 0.00 9 N 8.08 4.56 0.00 2.81 2.91 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.12 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 11 M 8.07 4.24 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 12 L 8.14 4.41 0.00 1.56 1.52 0.85 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.55 4.45 1.17 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 0.00 0.00 14 F 8.58 5.04 0.00 3.10 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 15 E 9.20 4.80 0.00 2.03 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 2.22 2.26 0.00 16 P 0.00 4.94 0.00 2.34 2.04 0.00 3.82 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 1.98 1.95 0.00 17 S 8.88 4.59 0.00 3.98 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 0.00 18 T 7.83 5.22 4.26 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 1.23 0.00 0.00 19 I 8.67 4.73 1.84 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 1.14 1.70 0.80 0.00 0.00 20 E 8.76 5.23 0.00 1.83 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 2.18 2.25 0.00 21 I 8.94 4.70 1.96 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.76 0.00 0.00 22 Q 9.21 5.06 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 23 A 8.40 4.30 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 24 G 9.34 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 0.00 0.00 0.00 0.00 25 D 8.10 4.78 0.00 2.70 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 26 T 8.50 5.01 4.21 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 1.23 0.00 0.00 27 V 8.70 4.44 1.55 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 -0.46 0.00 0.00 0.53 0.00 0.00 28 Q 8.12 4.93 0.00 2.04 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 29 W 8.92 4.95 0.00 2.48 2.56 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 30 V 8.62 4.67 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 0.87 0.00 0.00 31 N 9.22 4.50 0.00 3.09 2.85 0.00 0.00 6.23 7.18 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 32 N 9.38 4.88 0.00 2.73 3.05 0.00 0.00 7.03 7.36 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 33 K 7.28 4.66 0.00 1.79 1.61 0.00 2.08 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 34 L 8.66 3.92 0.00 1.80 1.73 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.00 4.03 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 36 P 0.00 4.95 0.00 1.50 0.84 0.00 3.27 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 37 H 8.24 5.17 0.00 3.10 3.22 0.00 5.57 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.50 5.16 0.00 2.91 2.92 0.00 0.00 5.33 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 39 V 8.30 4.56 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 -0.04 0.00 0.00 0.07 0.00 0.00 40 V 8.52 4.29 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.57 0.00 0.00 41 V 8.27 4.52 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 1.02 0.00 0.00 0.92 0.00 0.00 42 E 8.83 3.86 0.00 2.12 2.04 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 2.66 2.69 0.00 *49 G 8.87 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 *52 Q 7.41 4.86 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.84 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 53 P 0.00 4.23 0.00 2.14 2.06 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 54 E 8.12 4.02 0.00 2.00 2.04 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 2.16 2.20 0.00 55 L 7.55 4.35 0.00 1.45 1.36 0.15 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.32 4.48 0.00 3.92 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 57 H 8.62 4.41 0.00 2.36 2.04 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.03 3.97 0.00 1.66 1.77 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.34 7.81 59 D 7.49 4.26 0.00 2.49 2.56 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 *62 L 8.42 4.12 0.00 1.54 1.08 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.66 4.87 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 64 F 9.10 4.33 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 65 S 7.99 4.77 0.00 3.92 3.83 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 66 P 0.00 4.55 0.00 2.06 2.02 0.00 3.71 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 2.06 2.12 0.00 67 G 9.03 3.98 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 0.00 0.00 0.00 68 E 7.98 4.27 0.00 2.28 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 2.45 2.36 0.00 69 T 8.67 5.59 4.18 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 1.25 0.00 0.00 70 F 7.72 5.13 0.00 3.11 3.13 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 71 E 8.99 5.62 0.00 1.89 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 0.00 2.22 2.36 0.00 72 A 8.97 4.75 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 73 T 8.34 4.84 4.18 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 1.24 0.00 0.00 74 F 9.00 4.35 0.00 2.95 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 75 S 8.75 4.77 0.00 3.98 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 76 E 7.96 4.73 0.00 2.17 2.04 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 2.28 2.32 0.00 77 P 0.00 4.56 0.00 2.08 2.03 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 78 G 7.45 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 0.00 0.00 0.00 0.00 79 T 7.53 4.98 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 1.22 0.00 0.00 80 Y 9.42 4.79 0.00 2.99 3.06 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 0.00 0.00 0.00 0.00 81 T 8.73 5.28 4.48 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 1.30 0.00 0.00 82 Y 8.80 5.52 0.00 3.00 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 83 Y 8.54 5.41 0.00 3.22 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 84 C 9.03 5.35 0.00 3.22 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 85 E 10.03 4.27 0.00 2.07 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 2.64 2.34 0.00 86 P 0.00 4.27 0.00 1.89 2.09 0.00 3.65 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 1.81 1.88 0.00 87 H 7.75 4.94 0.00 3.28 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.06 3.96 0.00 1.96 1.87 0.00 2.62 0.00 0.00 2.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 89 G 8.07 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 90 A 7.91 4.25 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 91 G 8.11 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 92 M 7.83 4.35 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.76 0.00 93 V 8.03 5.03 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 0.89 0.00 0.00 0.98 0.00 0.00 94 G 8.64 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 95 K 8.95 5.28 0.00 1.82 1.62 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.61 7.81 96 I 9.23 4.92 1.75 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.81 0.30 0.00 0.00 97 V 8.76 4.65 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 0.74 0.00 0.00 0.94 0.00 0.00 98 V 8.89 4.67 2.40 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 1.02 0.00 0.00 1.00 0.00 0.00 99 Q 9.26 4.32 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.32 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.