NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5637 8.3649 120.5170 53.9031 41.7995 177.5395 7 R 4.2951 8.6867 123.0826 54.1466 34.4786 174.2351 8 F 4.3580 9.0820 119.1635 60.0933 40.4357 176.2403 9 L 4.7806 7.8088 118.4984 54.0343 41.5475 173.9642 10 E 4.6236 7.4902 119.8090 54.8908 33.1161 176.4902 11 E 3.9681 8.8900 120.1396 56.6809 28.7824 174.8105 12 L 4.6442 7.7772 118.6311 51.4581 42.3730 175.2051 13 P 4.2379 0.0000 0.0000 65.4848 31.4609 177.7501 14 E 3.9395 8.0892 117.3760 59.5002 29.7154 179.1037 15 V 3.7314 8.0633 113.0730 63.6066 31.6221 178.3802 16 A 4.1122 7.9524 120.2415 55.1722 18.2845 179.3860 17 E 3.9801 8.4299 117.5434 59.7654 29.1008 179.9061 18 S 4.2087 8.4392 114.4347 61.3712 63.0127 176.2280 19 F 4.3828 8.5405 124.3093 61.0782 39.1766 177.2175 20 K 3.8141 8.2598 118.1186 59.6240 31.8088 179.1303 21 N 4.4984 8.2433 116.7348 56.0128 38.4090 177.3585 22 F 4.2067 8.3941 122.6124 61.1468 39.4075 177.2068 23 R 3.3158 7.8918 118.7770 59.1330 29.8469 178.0747 24 E 3.7672 8.4942 119.2256 59.0589 29.4855 178.5764 25 A 3.9097 8.1583 121.1228 55.4371 18.2806 180.1481 26 V 3.4345 7.0857 109.3720 64.4473 31.5902 178.8415 27 R 4.0397 7.9701 117.3991 57.9078 29.9728 177.9965 28 S 4.6831 7.6008 111.4243 56.5729 63.7166 173.7831 29 E 3.8385 7.3941 124.8043 57.1285 29.5215 176.3972 30 G 3.9831 8.5818 114.4130 45.5675 0.0000 174.1412 31 K 4.1404 8.2908 121.7604 57.4139 32.5057 176.7649 32 L 4.8715 7.4224 116.9664 52.4618 45.4218 176.7070 33 T 4.2346 8.2047 111.6665 61.2740 70.8916 175.8134 34 E 3.9093 8.5681 121.3164 59.5626 29.5279 179.4186 35 R 3.8627 8.0031 118.1918 59.6878 30.0417 178.2568 36 E 3.9752 7.9911 118.0232 59.3870 29.4538 179.5363 37 K 4.0451 8.0350 118.4719 59.2415 32.1597 179.5251 38 L 4.0023 8.1986 119.7427 57.7346 41.5846 179.4830 39 L 4.0375 8.0809 119.0172 57.7785 41.4433 179.6354 40 I 3.7425 8.2068 120.3229 64.2436 37.0013 178.6119 41 S 3.9918 8.0198 116.0996 61.5528 62.6992 176.9819 42 V 3.5652 7.6586 120.1975 65.8873 31.2667 177.7571 43 A 3.9974 8.0247 120.4844 55.5951 18.2482 179.4638 44 C 4.1029 8.4045 115.4546 63.0056 28.1438 176.5129 45 S 4.1511 8.1955 116.8454 61.4326 62.3900 176.9731 46 V 3.4942 7.9153 120.6199 66.0054 31.1611 177.6291 47 A 4.0018 7.8369 119.2037 55.4683 18.3020 179.2917 48 V 3.7201 7.7862 113.5079 63.0048 31.9221 175.9011 49 R 3.7898 8.1529 116.1293 58.0285 27.9852 175.2988 50 C 4.7147 7.9702 118.5751 55.1016 45.2399 173.7327 51 D 4.3034 8.8134 127.7127 57.5478 40.5539 178.5768 52 A 3.9810 7.9200 120.7630 55.1167 18.3523 180.2665 53 C 4.1744 8.0416 114.5714 60.4825 40.2780 176.0047 54 T 3.8578 7.9084 117.2323 66.8004 68.0983 176.4889 55 R 3.8709 8.1701 120.4294 59.4823 30.1165 178.7861 56 R 3.8768 8.0422 117.7351 59.7646 30.1165 178.9242 57 H 4.2716 8.5358 116.0340 58.5639 28.5464 177.8222 58 A 4.0203 8.3620 123.3019 54.9284 18.1024 179.3089 59 E 3.8421 8.3313 117.9547 59.3917 29.5297 178.5787 60 E 4.0571 7.9532 118.0010 59.2200 29.9599 178.4555 61 A 4.1235 8.0182 120.7474 55.1092 18.4459 179.4211 62 L 4.2844 7.9636 118.9873 57.6050 41.5401 179.7758 63 E 3.9914 8.4300 116.9611 58.6376 29.3305 178.2048 64 A 4.5483 7.7324 119.0854 51.6446 19.2082 178.0120 65 G 3.9260 8.1812 107.9317 45.8803 0.0000 174.6895 66 I 4.0567 7.3978 121.1394 61.1905 38.0873 175.3966 67 T 4.3897 9.0587 115.2482 60.9130 71.4463 176.1983 68 E 4.2176 8.6797 121.6302 58.9238 29.5264 179.9451 69 G 3.5536 7.9711 106.0556 47.7051 0.0000 175.6124 70 E 3.9981 8.0545 120.8830 59.1539 29.4911 179.4539 71 L 3.9985 8.3902 119.2180 57.6995 41.6467 179.4736 72 A 3.9946 8.1054 121.0491 55.1365 18.3075 179.3336 73 E 3.8977 8.3617 117.6681 59.1618 29.5689 178.9459 74 A 3.9523 8.0501 120.7857 55.1462 18.4852 179.5405 75 A 3.9789 8.0948 119.0781 55.0793 18.3891 179.7462 76 A 3.9574 8.0696 119.6117 55.2064 18.3917 180.0444 77 V 3.5315 7.7793 116.7583 66.0722 31.6050 178.1939 78 A 4.0125 7.9426 120.1643 54.9309 18.1618 179.4548 79 A 3.9337 8.0805 119.5038 55.2828 18.4155 179.6527 80 L 3.9557 7.9430 118.8476 58.2222 42.1239 179.3213 81 I 3.7257 7.7472 119.9707 64.4064 36.9111 178.6149 82 R 4.0675 8.2686 120.0620 58.6641 29.6439 179.0132 83 A 4.1475 7.7954 119.5231 54.7796 18.4534 179.7090 84 G 3.6836 8.1305 104.0749 47.9702 0.0000 175.8127 85 S 4.3263 8.6115 117.2617 60.8530 63.0019 176.9026 86 A 3.9625 7.6594 123.2495 52.0763 17.5997 178.7940 *88 N 4.5692 8.1548 121.1814 55.5242 40.7387 176.3118 89 T 3.9620 7.6795 111.4777 64.1945 67.7111 176.1493 90 A 3.9900 7.8294 123.7730 54.4374 18.5017 177.7985 91 S 4.7734 7.5202 109.4354 58.3905 63.6058 174.9918 92 A 4.4529 7.3500 125.3485 54.0857 19.8611 179.4069 93 I 3.7648 7.2984 108.4806 62.8975 38.2227 176.0251 94 F 4.6630 7.4856 123.5327 57.6151 38.9354 175.3390 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 6 D 8.36 4.56 0.00 2.61 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 0.00 0.00 0.00 0.00 7 R 8.69 4.30 0.00 1.78 1.72 0.00 3.23 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 8 F 9.08 4.36 0.00 3.10 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 9 L 7.81 4.78 0.00 1.70 1.70 1.15 0.86 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 10 E 7.49 4.62 0.00 2.03 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 0.00 2.34 2.33 0.00 11 E 8.89 3.97 0.00 2.15 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 2.19 2.37 0.00 12 L 7.78 4.64 0.00 1.65 1.58 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.24 0.00 2.17 2.11 0.00 3.61 0.00 0.00 3.78 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 14 E 8.09 3.94 0.00 2.09 1.96 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 2.39 2.48 0.00 15 V 8.06 3.73 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 0.99 0.00 0.00 0.98 0.00 0.00 16 A 7.95 4.11 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 17 E 8.43 3.98 0.00 2.22 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 0.00 2.36 2.63 0.00 18 S 8.44 4.21 0.00 4.10 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 19 F 8.54 4.38 0.00 3.29 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 20 K 8.26 3.81 0.00 2.08 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.70 7.81 21 N 8.24 4.50 0.00 2.99 2.89 0.00 0.00 6.67 8.25 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 22 F 8.39 4.21 0.00 2.99 3.16 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 23 R 7.89 3.32 0.00 1.26 1.77 0.00 3.09 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 24 E 8.49 3.77 0.00 2.07 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 2.27 2.32 0.00 25 A 8.16 3.91 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 26 V 7.09 3.43 1.84 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 0.29 0.00 0.00 0.56 0.00 0.00 27 R 7.97 4.04 0.00 1.86 1.91 0.00 3.06 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 28 S 7.60 4.68 0.00 3.97 4.01 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 29 E 7.39 3.84 0.00 2.11 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 0.00 2.29 2.38 0.00 30 G 8.58 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 31 K 8.29 4.14 0.00 1.75 1.94 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.44 7.81 32 L 7.42 4.87 0.00 1.59 1.49 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.20 4.23 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 34 E 8.57 3.91 0.00 1.98 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 2.38 2.30 0.00 35 R 8.00 3.86 0.00 1.86 1.92 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 36 E 7.99 3.98 0.00 2.12 1.97 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 2.32 2.34 0.00 37 K 8.03 4.05 0.00 1.94 1.81 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 38 L 8.20 4.00 0.00 1.97 1.70 0.91 0.92 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 39 L 8.08 4.04 0.00 1.84 1.70 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.21 3.74 1.97 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 1.51 0.95 0.89 0.00 0.00 41 S 8.02 3.99 0.00 3.98 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 42 V 7.66 3.57 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 1.01 0.00 0.00 1.00 0.00 0.00 43 A 8.02 4.00 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 44 C 8.40 4.10 0.00 3.16 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 45 S 8.20 4.15 0.00 4.05 4.01 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 46 V 7.92 3.49 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 0.95 0.00 0.00 0.99 0.00 0.00 47 A 7.84 4.00 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 48 V 7.79 3.72 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 0.87 0.00 0.00 0.94 0.00 0.00 49 R 8.15 3.79 0.00 1.96 2.03 0.00 3.20 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 50 C 7.97 4.71 0.00 2.96 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 51 D 8.81 4.30 0.00 2.81 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 52 A 7.92 3.98 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 53 C 8.04 4.17 0.00 3.13 3.21 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 54 T 7.91 3.86 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 1.22 0.00 0.00 55 R 8.17 3.87 0.00 2.01 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 56 R 8.04 3.88 0.00 1.87 1.84 0.00 3.11 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 57 H 8.54 4.27 0.00 3.20 3.33 0.00 5.62 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 58 A 8.36 4.02 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 59 E 8.33 3.84 0.00 2.19 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 2.36 0.00 60 E 7.95 4.06 0.00 2.03 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 2.33 2.33 0.00 61 A 8.02 4.12 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 62 L 7.96 4.28 0.00 2.00 1.74 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.43 3.99 0.00 2.10 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 2.35 2.64 0.00 64 A 7.73 4.55 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 65 G 8.18 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.40 4.06 1.97 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 1.47 0.63 0.97 0.00 0.00 67 T 9.06 4.39 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 1.24 0.00 0.00 68 E 8.68 4.22 0.00 2.03 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 2.40 2.37 0.00 69 G 7.97 3.55 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 0.00 0.00 0.00 70 E 8.05 4.00 0.00 2.23 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 2.33 2.35 0.00 71 L 8.39 4.00 0.00 1.86 1.72 0.92 0.80 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 72 A 8.11 3.99 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 73 E 8.36 3.90 0.00 2.11 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 0.00 2.30 2.37 0.00 74 A 8.05 3.95 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 75 A 8.09 3.98 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 76 A 8.07 3.96 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 77 V 7.78 3.53 2.24 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 1.00 0.00 0.00 1.03 0.00 0.00 78 A 7.94 4.01 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 79 A 8.08 3.93 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 80 L 7.94 3.96 0.00 1.80 1.87 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.75 3.73 2.01 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 1.80 0.63 0.91 0.00 0.00 82 R 8.27 4.07 0.00 2.02 1.98 0.00 3.30 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 83 A 7.80 4.15 1.30 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 0.00 0.00 84 G 8.13 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 85 S 8.61 4.33 0.00 4.01 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 86 A 7.66 3.96 1.38 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 *88 N 8.15 4.57 0.00 2.85 3.05 0.00 0.00 6.72 7.22 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 89 T 7.68 3.96 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 90 A 7.83 3.99 1.33 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 0.00 0.00 91 S 7.52 4.77 0.00 4.18 4.10 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 92 A 7.35 4.45 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 93 I 7.30 3.76 1.57 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 -0.36 0.70 0.00 0.00 94 F 7.49 4.66 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.