NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4919 8.0276 120.6291 54.8377 42.1758 175.2639 2 K 4.3384 8.5047 122.2509 55.6207 36.6935 175.0564 3 G 4.1205 9.2441 106.1598 45.8670 0.0000 173.9695 4 L 4.3025 8.4079 121.7183 55.2625 42.3350 177.9248 5 R 4.5059 9.5374 123.2655 56.5549 33.0022 176.3703 6 R 5.7409 7.5514 117.1546 55.0322 33.8685 173.8713 7 L 5.3748 8.5892 124.2504 52.9510 46.4044 175.4106 8 V 4.7435 8.6419 122.7323 61.3504 33.9420 173.9835 9 L 5.1109 9.1006 128.9658 53.1165 44.3961 175.5699 10 D 4.9674 9.3473 124.3447 53.3623 41.9869 174.8315 11 V 4.7990 8.5987 126.6112 60.8751 34.4664 173.8648 12 L 5.1363 8.3734 129.3926 53.4354 44.3785 175.0695 13 K 4.8183 8.5885 123.1354 55.2397 35.4632 173.4333 14 P 5.0140 0.0000 0.0000 62.2081 32.6090 177.2345 15 H 4.3554 8.2820 116.8990 57.9257 28.7377 176.1229 16 E 4.7233 7.3560 115.7321 53.5913 31.7282 174.2362 17 P 4.6814 0.0000 0.0000 61.4650 32.9872 175.8952 18 K 4.2114 8.3412 117.7250 56.3696 32.6650 178.6652 19 T 3.9037 8.3661 111.8086 64.5854 68.5141 176.6584 20 I 4.0195 7.7632 115.9050 63.7163 37.6510 178.2960 21 V 3.6239 7.8917 120.3925 65.7319 31.4034 177.9276 22 F 3.9065 8.4419 116.8699 60.4898 38.7926 176.9885 23 A 4.0572 8.6103 120.5717 55.4418 17.9524 179.3240 24 L 3.9837 7.7505 117.0057 57.3225 42.0567 179.5153 25 K 3.9819 8.0584 117.8538 59.6787 32.0972 179.0368 26 L 3.9541 7.9113 118.9695 58.1194 41.2353 179.9251 27 S 4.2006 8.4213 113.9126 61.1169 62.4460 175.3356 28 E 4.3326 7.8559 119.9552 55.6991 29.8271 176.6192 29 L 4.2336 7.5687 121.0789 54.1538 42.4396 178.0563 30 E 3.9574 8.8069 120.6647 59.1794 29.8878 177.2897 31 N 4.7372 8.1249 115.4336 52.3920 37.6592 173.4300 32 V 4.6104 7.2006 119.0463 62.1396 32.4661 175.4041 33 D 4.5551 9.3935 129.1194 57.1626 42.0507 176.5304 34 G 4.3510 7.5441 102.2438 45.6711 0.0000 172.6044 35 V 5.0361 8.3517 119.4720 60.9646 34.9757 173.8745 36 N 5.0645 9.6439 125.6635 51.8084 42.0034 172.7325 37 I 4.8323 8.5298 126.3536 59.8490 39.8175 174.1539 38 H 4.7532 9.1437 128.2816 54.0059 31.7783 173.2209 39 L 4.2342 8.3397 128.5665 55.4460 41.7926 176.6826 40 S 4.3448 9.2355 124.1166 60.6794 63.3136 174.6273 41 E 4.6830 7.7204 116.6537 55.5266 32.5999 173.7957 42 I 4.6836 8.5030 126.1273 59.4341 40.3213 174.6811 43 D 5.3088 8.2984 126.7595 53.2007 43.4839 175.5450 44 Q 4.1242 9.0530 118.0496 59.5944 29.0304 177.1679 45 A 4.6919 8.0283 117.9657 51.6026 21.2380 174.8530 46 T 4.8503 7.4471 105.4912 60.0583 72.5995 172.4077 47 E 4.9297 8.8386 120.4634 55.1273 33.7685 173.8939 48 N 5.3944 9.3833 124.3046 51.5415 41.0973 173.5883 49 I 4.9382 8.5843 117.6959 58.7753 41.2880 174.4154 50 K 4.9389 9.0135 126.4564 55.1375 34.0429 174.7115 51 I 4.9288 8.5721 129.1905 60.0947 39.4889 174.7922 52 T 5.0581 9.2194 124.5921 61.8975 70.8368 173.4280 53 I 4.8885 8.8168 127.8230 59.3608 40.2168 174.2410 54 L 4.9402 8.5811 129.6441 53.7325 44.4584 175.7051 55 G 4.3888 8.7673 111.6040 46.1088 0.0000 170.7977 56 N 4.7900 8.4955 120.3727 51.8437 41.5270 175.7416 57 N 4.2447 8.5652 126.3013 54.4578 37.9364 174.0549 58 L 4.1153 7.9926 117.3422 55.1747 42.7574 178.6260 59 D 4.6571 8.4579 122.5715 52.7199 40.4070 176.0386 60 Y 4.1658 8.4493 125.3673 60.9806 38.8617 177.2380 61 E 3.8425 8.5027 118.4037 59.6809 29.5633 179.3342 62 Q 3.8662 8.0408 118.6038 59.3342 29.4328 177.9590 63 I 3.5939 7.7367 120.7958 64.5057 37.0902 178.3950 64 K 3.8860 8.3833 120.6266 58.9990 31.8922 179.2477 65 G 3.4690 7.9937 106.3387 47.6593 0.0000 175.7710 66 V 3.4767 7.4985 119.8447 65.6136 31.9287 177.8212 67 I 3.5781 7.4098 118.8407 64.5382 36.7969 178.3062 68 E 4.8469 8.0838 119.5930 58.7719 29.5416 180.1846 69 D 4.5792 8.2606 120.6964 53.6759 41.2024 177.6782 *71 G 3.8697 8.0550 106.3755 44.9054 0.0000 173.5049 72 G 4.4431 7.9670 107.6917 44.9621 0.0000 173.4207 73 V 4.9686 8.5725 118.9816 59.7657 35.2333 174.6473 74 I 4.4723 8.3643 123.8951 61.1131 37.0846 175.5137 75 H 4.7442 9.6015 126.2044 58.1812 29.5331 175.9143 76 S 4.6229 7.6686 110.0044 57.8270 65.5692 175.9709 77 V 4.5058 8.5140 121.6272 61.9228 31.5486 175.0036 78 D 4.6831 9.2462 129.5292 56.2521 41.9017 176.9140 79 E 4.7553 7.9711 117.7541 54.4514 33.5670 174.3015 80 V 4.8941 8.3601 124.7284 61.1659 34.6168 174.3991 81 V 4.5778 8.7799 127.1380 61.0608 34.2506 174.0507 82 A 4.9857 8.9871 127.9877 51.4258 22.3008 174.6985 83 G 3.7343 8.0533 105.6776 44.4116 0.0000 173.6027 84 K 4.4969 8.5279 117.1197 56.9192 32.7647 177.1418 85 I 4.4100 7.3925 118.4749 59.0729 39.4291 175.4841 86 I 3.8681 8.2484 125.6738 61.0941 36.0285 175.2333 87 V 4.0019 8.0703 125.5648 61.7327 32.2999 175.5052 88 E 4.5005 8.4124 126.3963 54.7543 30.9551 175.9967 89 S 4.0568 8.4276 116.0664 58.4748 62.9452 174.2706 90 V 4.0674 8.1905 129.6844 61.7668 30.9192 175.9951 91 E 4.1956 8.5267 122.0002 56.0000 29.6420 174.4710 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 1 L 8.03 4.49 0.00 1.73 1.72 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.50 4.34 0.00 1.88 1.88 0.00 1.41 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.45 7.81 3 G 9.24 4.12 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 0.00 4 L 8.41 4.30 0.00 1.85 1.65 1.04 0.82 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 5 R 9.54 4.51 0.00 1.77 1.94 0.00 3.30 0.00 0.00 3.32 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 6 R 7.55 5.74 0.00 1.85 1.71 0.00 3.17 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 7 L 8.59 5.37 0.00 1.65 1.56 1.11 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.64 4.74 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 1.00 0.00 0.00 0.94 0.00 0.00 9 L 9.10 5.11 0.00 1.62 1.60 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.35 4.97 0.00 2.90 2.84 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 11 V 8.60 4.80 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 0.95 0.00 0.00 0.98 0.00 0.00 12 L 8.37 5.14 0.00 1.44 1.20 0.93 0.45 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 13 K 8.59 4.82 0.00 1.76 1.69 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.21 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.05 1.19 7.81 14 P 0.00 5.01 0.00 2.30 2.03 0.00 3.64 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 15 H 8.28 4.36 0.00 3.30 3.35 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.36 4.72 0.00 1.93 1.86 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 2.26 2.37 0.00 17 P 0.00 4.68 0.00 2.30 2.14 0.00 4.02 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.06 0.00 18 K 8.34 4.21 0.00 1.88 1.79 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.46 7.81 19 T 8.37 3.90 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 1.04 0.00 0.00 20 I 7.76 4.02 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.59 0.92 0.00 0.00 21 V 7.89 3.62 2.41 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 1.04 0.00 0.00 0.98 0.00 0.00 22 F 8.44 3.91 0.00 3.26 3.12 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 23 A 8.61 4.06 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 24 L 7.75 3.98 0.00 1.85 1.76 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.06 3.98 0.00 1.67 1.79 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.52 7.81 26 L 7.91 3.95 0.00 1.92 1.74 1.03 0.58 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 27 S 8.42 4.20 0.00 4.03 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 0.00 28 E 7.86 4.33 0.00 2.14 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 2.31 2.46 0.00 29 L 7.57 4.23 0.00 1.71 1.71 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.81 3.96 0.00 2.07 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 2.27 2.30 0.00 31 N 8.12 4.74 0.00 3.18 3.06 0.00 0.00 5.76 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 32 V 7.20 4.61 2.26 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 0.87 0.00 0.00 0.94 0.00 0.00 33 D 9.39 4.56 0.00 2.79 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 34 G 7.54 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 0.00 0.00 0.00 0.00 35 V 8.35 5.04 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 0.85 0.00 0.00 0.97 0.00 0.00 36 N 9.64 5.06 0.00 2.72 2.62 0.00 0.00 6.80 7.69 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 37 I 8.53 4.83 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.87 0.00 0.00 38 H 9.14 4.75 0.00 3.21 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.34 4.23 0.00 1.61 1.49 0.91 0.97 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 40 S 9.24 4.34 0.00 3.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.72 4.68 0.00 1.98 1.71 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 2.20 2.22 0.00 42 I 8.50 4.68 1.90 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 1.43 1.10 0.90 0.00 0.00 43 D 8.30 5.31 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 9.05 4.12 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 45 A 8.03 4.69 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 46 T 7.45 4.85 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 1.18 0.00 0.00 47 E 8.84 4.93 0.00 1.86 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 2.11 2.25 0.00 48 N 9.38 5.39 0.00 2.73 2.69 0.00 0.00 6.42 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 49 I 8.58 4.94 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.89 0.77 0.00 0.00 50 K 9.01 4.94 0.00 1.90 1.75 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.45 7.81 51 I 8.57 4.93 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.96 0.00 0.00 52 T 9.22 5.06 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 1.22 0.00 0.00 53 I 8.82 4.89 1.91 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 1.14 0.79 0.93 0.00 0.00 54 L 8.58 4.94 0.00 1.75 1.50 0.99 0.99 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 55 G 8.77 4.39 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 0.00 56 N 8.50 4.79 0.00 2.69 2.67 0.00 0.00 7.13 7.31 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 57 N 8.57 4.24 0.00 3.06 2.78 0.00 0.00 6.77 6.75 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 58 L 7.99 4.12 0.00 1.73 1.64 0.96 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 59 D 8.46 4.66 0.00 2.75 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.45 4.17 0.00 3.07 3.01 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 61 E 8.50 3.84 0.00 2.18 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 2.55 2.41 0.00 62 Q 8.04 3.87 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 63 I 7.74 3.59 1.91 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 1.38 0.89 0.83 0.00 0.00 64 K 8.38 3.89 0.00 1.09 1.61 0.00 1.57 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.32 7.81 65 G 7.99 3.47 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 0.00 66 V 7.50 3.48 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 0.70 0.00 0.00 0.86 0.00 0.00 67 I 7.41 3.58 1.96 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 1.57 0.99 1.03 0.00 0.00 68 E 8.08 4.85 0.00 1.87 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 2.49 2.47 0.00 69 D 8.26 4.58 0.00 2.66 2.63 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 *71 G 8.05 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 72 G 7.97 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 0.00 0.00 0.00 0.00 73 V 8.57 4.97 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 0.82 0.00 0.00 0.98 0.00 0.00 74 I 8.36 4.47 1.94 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 1.37 0.57 1.04 0.00 0.00 75 H 9.60 4.74 0.00 3.14 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.67 4.62 0.00 3.86 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 77 V 8.51 4.51 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 0.82 0.00 0.00 1.01 0.00 0.00 78 D 9.25 4.68 0.00 2.58 2.71 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 79 E 7.97 4.76 0.00 1.99 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 2.27 2.30 0.00 80 V 8.36 4.89 2.06 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 0.81 0.00 0.00 0.89 0.00 0.00 81 V 8.78 4.58 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 0.98 0.00 0.00 0.99 0.00 0.00 82 A 8.99 4.99 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 83 G 8.05 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 4.50 0.00 1.76 1.87 0.00 1.75 0.00 0.00 0.61 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.41 7.81 85 I 7.39 4.41 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 1.41 0.87 0.91 0.00 0.00 86 I 8.25 3.87 1.87 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 1.30 0.74 0.91 0.00 0.00 87 V 8.07 4.00 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 0.80 0.00 0.00 1.00 0.00 0.00 88 E 8.41 4.50 0.00 1.99 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 2.26 2.23 0.00 89 S 8.43 4.06 0.00 3.82 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 90 V 8.19 4.07 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 0.83 0.00 0.00 0.93 0.00 0.00 91 E 8.53 4.20 0.00 2.03 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 2.23 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.