NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3787 8.3149 120.0849 55.7238 34.4410 175.0650 4 I 4.4198 7.4482 120.5490 58.4722 40.4784 172.9894 5 R 5.6364 9.5175 125.6535 53.5367 33.4964 173.4712 6 I 5.0462 8.5858 119.9528 59.0788 40.5854 174.4724 7 K 4.5872 8.8413 125.0504 54.7577 34.4059 175.0639 8 L 5.0893 8.6045 125.6598 53.1384 44.0460 175.9853 9 R 5.0728 10.0754 122.6180 53.7197 35.0395 174.9492 10 G 3.7791 7.3209 107.2708 47.0809 0.0000 173.2669 11 F 5.1695 8.1918 116.6284 58.3414 40.2515 176.3951 12 D 4.6070 7.9892 121.6695 53.7129 41.2746 176.0369 13 H 4.4174 8.6997 122.5698 56.8426 28.9078 176.6548 14 K 3.9364 8.4513 123.7717 59.0595 32.5654 178.2864 15 T 4.0034 7.6418 109.4726 64.2834 68.8122 176.3358 16 L 4.0372 7.6560 122.2925 57.4114 42.2342 178.0983 17 D 4.4227 7.5596 117.6052 57.6982 40.6635 177.4277 18 A 4.1208 8.0251 121.8798 54.6354 18.0682 180.4563 19 S 4.3468 8.0921 109.2628 58.3123 62.9477 174.8675 20 A 4.4472 9.5129 123.1235 54.9688 20.3520 179.2898 21 Q 4.2987 7.8727 112.1092 56.5451 28.7962 175.9382 22 K 4.4034 8.5375 118.8287 57.8240 33.7225 178.2714 23 I 4.3539 7.4948 117.0624 61.8685 36.3285 176.3621 24 V 4.2472 7.8957 118.4999 64.4763 33.1783 177.2903 25 E 4.2963 8.2837 118.5822 58.6248 29.4575 177.7100 26 A 4.5258 8.0000 119.0446 51.7579 18.2605 176.8382 27 A 5.1605 9.0934 119.1786 52.2803 21.1516 179.1048 28 R 3.7817 7.8142 114.0224 59.4082 30.7322 177.9373 29 R 4.0079 8.0548 117.7037 59.5553 30.4426 178.6160 30 S 4.3904 7.5893 108.1834 58.6649 62.5504 172.7457 31 G 3.9510 8.2503 107.0744 45.2436 0.0000 173.0304 32 A 3.6581 8.3012 120.7078 48.9598 18.9339 177.6178 33 Q 4.1505 8.6642 121.9346 56.3089 30.2826 176.0912 34 V 4.7098 7.9110 118.4806 61.5566 34.6194 174.2168 35 S 4.3726 9.2237 123.7429 58.4058 63.4545 173.8601 36 G 3.9377 8.4143 113.7928 41.0273 0.0000 171.1382 37 P 4.5650 0.0000 0.0000 62.6452 31.9736 175.7871 38 I 4.3648 9.4379 121.1773 58.9628 39.4651 172.9964 39 P 5.1522 0.0000 0.0000 60.9995 32.0501 175.5654 40 L 4.6916 8.4381 124.8161 51.9926 43.6087 174.6318 41 P 4.2335 0.0000 0.0000 63.9215 31.3981 175.5438 42 T 4.4612 8.1700 116.4131 62.5445 70.4467 175.1550 43 R 4.2946 8.3506 125.3374 55.2625 30.6349 175.3454 44 V 4.2302 8.2067 124.6382 62.0379 32.6421 174.9226 45 R 4.5960 8.5812 128.4145 54.8145 32.1553 174.7218 46 R 5.2494 8.6192 125.0400 54.8907 33.0235 176.2110 47 F 4.6309 9.3860 119.2988 56.3912 42.5965 173.9510 48 T 4.9068 8.6251 121.4089 62.0412 69.6572 174.8885 49 V 4.6846 7.9702 124.9091 59.7179 35.6204 174.3557 50 I 4.2158 8.3444 115.6199 60.2331 38.1765 175.6240 51 R 3.7444 7.6841 124.7266 59.4865 30.2228 177.7559 52 G 4.0607 7.6323 105.8700 43.8147 0.0000 171.8366 53 P 4.3853 0.0000 0.0000 64.7841 31.7794 176.5084 54 F 4.4899 8.5808 119.9606 56.6587 40.7058 175.2311 55 K 4.5514 6.3697 124.6751 54.9692 31.5346 175.0145 56 H 4.8291 8.5723 119.4503 56.0084 31.2809 176.1740 57 K 3.8856 8.0897 121.2346 58.7739 33.1986 175.4519 58 D 4.6778 7.6237 119.4020 55.8009 42.1430 177.7647 59 S 3.5199 7.7914 109.5797 60.7946 60.4426 171.4904 60 R 4.8425 7.6772 135.0000 55.8009 31.0302 176.9831 61 E 5.1088 7.4057 126.6646 57.1567 32.8220 175.7537 62 H 4.7326 8.4310 122.1454 53.5576 31.2854 173.2031 63 F 5.1844 8.2050 114.1463 55.7006 42.0354 172.7953 64 E 5.6513 8.5884 116.8702 55.3476 32.5691 175.5633 65 L 4.2493 8.7028 121.1756 54.8506 44.1706 174.7207 66 R 4.4548 8.4360 124.8159 55.8475 31.9046 175.7208 67 T 5.0582 8.6258 121.2716 62.1867 69.0647 173.4755 68 H 4.5607 9.2612 124.0060 55.6951 30.0424 174.2323 69 N 5.3474 8.6297 117.7317 51.9035 42.8753 173.7471 70 R 4.9156 8.7557 120.0335 55.1663 35.1809 173.8553 71 L 5.2169 9.5602 126.8251 53.4911 45.7361 175.1772 72 V 4.7670 8.2251 122.7500 61.6809 35.5239 172.8988 73 D 5.5628 8.5214 126.8964 52.3931 44.8685 175.1535 74 I 4.2478 7.9494 116.1017 59.8547 38.6509 175.8450 75 I 3.2583 7.8804 117.8619 61.9072 37.0903 174.3861 76 N 5.0138 7.8272 121.2180 49.6846 41.4481 172.2408 77 P 4.2279 0.0000 0.0000 63.4647 30.7076 175.4316 78 N 4.9039 8.0692 120.6855 52.0005 40.7971 176.5327 79 R 4.2036 8.2418 117.9536 58.4139 30.8352 178.9061 80 K 4.2212 8.0072 118.7859 59.1244 32.0180 178.0876 81 T 4.1409 7.7957 110.2323 64.4490 69.0391 176.4937 82 I 3.8009 7.4742 123.6055 62.4673 37.5938 177.3744 83 E 3.9172 8.8228 120.7696 57.6490 28.8653 178.2524 84 Q 3.4144 6.0540 111.2987 58.8492 30.2389 179.4589 85 L 3.3936 6.8888 124.6758 58.4644 42.5236 178.8113 86 M 4.2731 8.0205 117.2710 57.7234 32.2876 177.0425 87 T 4.8389 8.5895 107.9458 61.4291 70.0511 174.2655 88 L 4.6377 7.8398 120.8763 54.7853 41.3370 175.9642 89 D 4.7428 7.5775 120.2665 53.7475 42.3117 177.6665 90 L 4.3713 8.1598 127.6282 53.7411 42.4012 174.6070 91 P 4.6136 0.0000 0.0000 60.9010 31.1862 174.8855 92 T 3.9064 8.4310 118.4117 64.5608 67.7293 175.6136 93 G 4.2190 7.6081 108.7500 45.3157 0.0000 171.4827 94 V 4.4840 7.6243 116.8593 60.7199 35.3852 174.4645 95 E 4.8025 8.8386 124.3517 54.3891 32.9094 174.0731 96 I 5.7095 8.3593 118.9780 58.3988 40.8429 174.3803 97 E 4.8125 8.5928 121.7318 54.5589 33.6207 174.3256 98 I 4.7679 8.2791 122.2982 59.2700 40.2432 174.6864 99 K 4.6513 8.8348 127.2213 55.7314 37.0640 175.5460 100 T 4.8106 8.2435 120.8844 62.5205 69.5945 175.1389 *101 V 3.8961 7.8762 121.3376 60.7471 32.4044 175.8601 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 8.31 4.38 0.00 1.66 1.93 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.78 7.81 4 I 7.45 4.42 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 1.11 1.29 0.95 0.00 0.00 5 R 9.52 5.64 0.00 1.80 1.83 0.00 3.09 0.00 0.00 3.31 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 6 I 8.59 5.05 1.86 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 0.82 0.90 0.00 0.00 7 K 8.84 4.59 0.00 1.67 1.74 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.53 7.81 8 L 8.60 5.09 0.00 1.91 1.55 0.91 0.77 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 9 R 10.08 5.07 0.00 1.59 1.69 0.00 3.24 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.46 0.00 10 G 7.32 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.19 5.17 0.00 3.08 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 12 D 7.99 4.61 0.00 2.76 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 13 H 8.70 4.42 0.00 3.26 3.06 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.45 3.94 0.00 1.59 1.83 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.36 7.81 15 T 7.64 4.00 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 1.30 0.00 0.00 16 L 7.66 4.04 0.00 1.83 1.75 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.56 4.42 0.00 3.20 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 8.03 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.35 0.00 4.01 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 20 A 9.51 4.45 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 21 Q 7.87 4.30 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 22 K 8.54 4.40 0.00 1.93 1.72 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.50 7.81 23 I 7.49 4.35 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 1.29 0.78 0.90 0.00 0.00 24 V 7.90 4.25 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 1.00 0.00 0.00 0.96 0.00 0.00 25 E 8.28 4.30 0.00 1.99 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 2.32 2.32 0.00 26 A 8.00 4.53 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 5.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.78 0.00 1.87 1.98 0.00 3.23 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 29 R 8.05 4.01 0.00 1.84 1.93 0.00 3.18 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 30 S 7.59 4.39 0.00 4.13 4.06 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 31 G 8.25 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 3.66 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.15 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 34 V 7.91 4.71 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 0.84 0.00 0.00 0.93 0.00 0.00 35 S 9.22 4.37 0.00 3.92 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 36 G 8.41 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 37 P 0.00 4.57 0.00 1.95 2.03 0.00 3.67 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 2.03 2.09 0.00 38 I 9.44 4.36 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 0.90 0.91 0.00 0.00 39 P 0.00 5.15 0.00 2.11 2.13 0.00 3.36 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.84 0.00 40 L 8.44 4.69 0.00 1.56 1.64 0.92 1.14 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 41 P 0.00 4.23 0.00 2.17 2.10 0.00 3.76 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 2.01 2.03 0.00 42 T 8.17 4.46 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 1.18 0.00 0.00 43 R 8.35 4.29 0.00 1.72 1.93 0.00 3.29 0.00 0.00 3.10 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 44 V 8.21 4.23 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 0.79 0.00 0.00 0.93 0.00 0.00 45 R 8.58 4.60 0.00 1.96 1.99 0.00 3.26 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 46 R 8.62 5.25 0.00 1.71 1.85 0.00 3.18 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 47 F 9.39 4.63 0.00 3.35 3.14 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 48 T 8.63 4.91 4.25 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 0.00 0.00 0.00 1.21 0.00 0.00 49 V 7.97 4.68 2.14 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 0.76 0.00 0.00 0.97 0.00 0.00 50 I 8.34 4.22 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 1.41 0.87 0.89 0.00 0.00 51 R 7.68 3.74 0.00 2.06 2.02 0.00 3.30 0.00 0.00 3.22 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 52 G 7.63 4.06 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 0.00 0.00 0.00 53 P 0.00 4.39 0.00 2.29 2.24 0.00 3.83 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 2.10 2.01 0.00 54 F 8.58 4.49 0.00 2.96 2.97 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 55 K 6.37 4.55 0.00 1.64 1.68 0.00 0.70 0.00 0.00 1.04 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.27 7.81 56 H 8.57 4.83 0.00 3.17 3.21 0.00 5.66 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.09 3.89 0.00 1.66 1.85 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.56 7.81 58 D 7.62 4.68 0.00 2.68 2.54 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 0.00 0.00 0.00 0.00 59 S 7.79 3.52 0.00 3.91 4.09 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 0.00 0.00 0.00 0.00 60 R 7.68 4.84 0.00 1.66 1.86 0.00 3.28 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 61 E 7.41 5.11 0.00 1.81 1.73 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 1.78 1.96 0.00 62 H 8.43 4.73 0.00 3.12 3.08 0.00 5.54 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.20 5.18 0.00 2.95 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 64 E 8.59 5.65 0.00 2.08 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 0.00 2.23 2.31 0.00 65 L 8.70 4.25 0.00 1.60 1.59 0.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.44 4.45 0.00 1.82 1.69 0.00 3.17 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 67 T 8.63 5.06 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 1.24 0.00 0.00 68 H 9.26 4.56 0.00 3.19 3.27 0.00 5.75 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 8.63 5.35 0.00 2.61 2.67 0.00 0.00 6.81 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 8.76 4.92 0.00 1.74 1.78 0.00 3.09 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 71 L 9.56 5.22 0.00 1.66 1.60 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.23 4.77 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 0.91 0.00 0.00 0.93 0.00 0.00 73 D 8.52 5.56 0.00 2.56 2.50 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 0.00 0.00 0.00 0.00 74 I 7.95 4.25 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 1.28 0.93 0.91 0.00 0.00 75 I 7.88 3.26 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 1.35 0.58 0.91 0.00 0.00 76 N 7.83 5.01 0.00 2.70 2.72 0.00 0.00 6.95 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 77 P 0.00 4.23 0.00 2.21 2.09 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 78 N 8.07 4.90 0.00 2.89 2.76 0.00 0.00 6.66 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 8.24 4.20 0.00 1.81 1.96 0.00 3.29 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 80 K 8.01 4.22 0.00 1.82 2.02 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.50 7.81 81 T 7.80 4.14 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 1.25 0.00 0.00 82 I 7.47 3.80 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 1.65 0.80 0.91 0.00 0.00 83 E 8.82 3.92 0.00 2.20 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 2.30 2.34 0.00 84 Q 6.05 3.41 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.38 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 85 L 6.89 3.39 0.00 1.76 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.02 4.27 0.00 2.04 2.24 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 2.60 2.51 0.00 87 T 8.59 4.84 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 7.84 4.64 0.00 1.66 1.61 0.92 1.25 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 89 D 7.58 4.74 0.00 2.74 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 90 L 8.16 4.37 0.00 1.51 1.55 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.61 0.00 2.33 2.05 0.00 3.82 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.43 3.91 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 7.61 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 0.00 0.00 0.00 94 V 7.62 4.48 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 0.83 0.00 0.00 0.90 0.00 0.00 95 E 8.84 4.80 0.00 2.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 96 I 8.36 5.71 1.86 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 1.34 1.52 0.89 0.00 0.00 97 E 8.59 4.81 0.00 1.85 1.82 0.00 0.00 0.00 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 2.19 0.00 98 I 8.28 4.77 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 1.34 0.75 0.91 0.00 0.00 99 K 8.83 4.65 0.00 1.68 1.61 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.56 7.81 100 T 8.24 4.81 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 1.25 0.00 0.00 *101 V 7.88 3.90 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.